
#----------------------------------------------------
#-----------------COMPOUND 2-------------------------
#---------------------------------------------------
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C36 H52 N6 Na2'
_chemical_formula_weight          614.82
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'Na'  'Na'   0.0362   0.0249
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    P21/n
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
 
_cell_length_a                    9.4833(2)
_cell_length_b                    19.8108(5)
_cell_length_c                    19.6247(6)
_cell_angle_alpha                 90.00
_cell_angle_beta                  103.849(1)
_cell_angle_gamma                 90.00
_cell_volume                      3579.75(16)
_cell_formula_units_Z             4
_cell_measurement_temperature     123(2)
_cell_measurement_reflns_used     5517
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       23.99
 
_exptl_crystal_description        'cut needle'
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.20
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.05
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.141
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1328
_exptl_absorpt_coefficient_mu     0.089
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       123(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Nonius Kappa CCD'
_diffrn_measurement_method        'omega and phi scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          0
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         0
_diffrn_reflns_number             31758
_diffrn_reflns_av_R_equivalents   0.105
_diffrn_reflns_av_sigmaI/netI     0.0835
_diffrn_reflns_limit_h_min        -10
_diffrn_reflns_limit_h_max        10
_diffrn_reflns_limit_k_min        -22
_diffrn_reflns_limit_k_max        22
_diffrn_reflns_limit_l_min        -22
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_theta_min          2.97
_diffrn_reflns_theta_max          24.00
_reflns_number_total              5555
_reflns_number_gt                 3637
_reflns_threshold_expression      I>2\s(I)
 
_computing_data_collection        'Collect & Denzo'
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'Shelxs'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[\s^2^(Fo^2^)+(0.0354P)^2^+1.9243P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     noref
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          5555
_refine_ls_number_parameters      404
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1033
_refine_ls_R_factor_gt            0.0538
_refine_ls_wR_factor_ref          0.1144
_refine_ls_wR_factor_gt           0.0986
_refine_ls_goodness_of_fit_ref    1.051
_refine_ls_restrained_S_all       1.051
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Na1 Na -0.04769(10) 0.33232(5) 0.33943(5) 0.0224(3) Uani 1 1 d . . .
Na2 Na 0.13265(10) 0.38673(5) 0.23151(5) 0.0230(3) Uani 1 1 d . . .
N1 N 0.2015(2) 0.37086(11) 0.36078(11) 0.0210(5) Uani 1 1 d . . .
N2 N -0.1175(2) 0.34321(11) 0.21213(11) 0.0206(5) Uani 1 1 d . . .
N3 N -0.1539(2) 0.39033(11) 0.42652(11) 0.0227(5) Uani 1 1 d . . .
N4 N -0.1293(2) 0.24084(11) 0.40563(12) 0.0249(6) Uani 1 1 d . . .
N5 N 0.3393(2) 0.33882(12) 0.19048(12) 0.0263(6) Uani 1 1 d . . .
N6 N 0.1971(2) 0.47345(11) 0.15161(11) 0.0242(6) Uani 1 1 d . . .
C1 C 0.2896(3) 0.32657(13) 0.40747(14) 0.0210(6) Uani 1 1 d . . .
C2 C 0.3198(3) 0.26213(14) 0.38495(15) 0.0247(7) Uani 1 1 d . . .
H2 H 0.2837 0.2504 0.3370 0.030 Uiso 1 1 calc R . .
C3 C 0.4005(3) 0.21512(14) 0.43009(16) 0.0293(7) Uani 1 1 d . . .
H3 H 0.4192 0.1721 0.4128 0.035 Uiso 1 1 calc R . .
C4 C 0.4538(3) 0.23029(15) 0.50005(16) 0.0308(8) Uani 1 1 d . . .
H4 H 0.5102 0.1982 0.5310 0.037 Uiso 1 1 calc R . .
C5 C 0.4240(3) 0.29294(14) 0.52466(15) 0.0281(7) Uani 1 1 d . . .
H5 H 0.4594 0.3037 0.5729 0.034 Uiso 1 1 calc R . .
C6 C 0.3434(3) 0.33990(14) 0.47974(14) 0.0235(7) Uani 1 1 d . . .
H6 H 0.3235 0.3824 0.4979 0.028 Uiso 1 1 calc R . .
C7 C 0.2271(3) 0.43955(14) 0.36898(13) 0.0206(6) Uani 1 1 d . . .
C8 C 0.1139(3) 0.48490(14) 0.34008(14) 0.0263(7) Uani 1 1 d . . .
H8 H 0.0203 0.4671 0.3196 0.032 Uiso 1 1 calc R . .
C9 C 0.1333(3) 0.55403(15) 0.34033(15) 0.0308(7) Uani 1 1 d . . .
H9 H 0.0540 0.5825 0.3198 0.037 Uiso 1 1 calc R . .
C10 C 0.2674(3) 0.58201(15) 0.37017(15) 0.0339(8) Uani 1 1 d . . .
H10 H 0.2812 0.6295 0.3708 0.041 Uiso 1 1 calc R . .
C11 C 0.3810(3) 0.53909(15) 0.39911(15) 0.0323(8) Uani 1 1 d . . .
H11 H 0.4739 0.5576 0.4195 0.039 Uiso 1 1 calc R . .
C12 C 0.3626(3) 0.47010(14) 0.39906(14) 0.0250(7) Uani 1 1 d . . .
H12 H 0.4430 0.4423 0.4198 0.030 Uiso 1 1 calc R . .
C13 C -0.1379(3) 0.27485(13) 0.19811(13) 0.0198(6) Uani 1 1 d . . .
C14 C -0.0253(3) 0.22963(14) 0.22876(14) 0.0265(7) Uani 1 1 d . . .
H14 H 0.0646 0.2476 0.2546 0.032 Uiso 1 1 calc R . .
C15 C -0.0406(3) 0.16066(15) 0.22269(15) 0.0323(7) Uani 1 1 d . . .
H15 H 0.0382 0.1322 0.2442 0.039 Uiso 1 1 calc R . .
C16 C -0.1698(3) 0.13226(15) 0.18551(16) 0.0358(8) Uani 1 1 d . . .
H16 H -0.1813 0.0847 0.1816 0.043 Uiso 1 1 calc R . .
C17 C -0.2814(3) 0.17523(14) 0.15430(15) 0.0296(7) Uani 1 1 d . . .
H17 H -0.3703 0.1565 0.1283 0.035 Uiso 1 1 calc R . .
C18 C -0.2674(3) 0.24458(14) 0.15970(14) 0.0230(7) Uani 1 1 d . . .
H18 H -0.3465 0.2724 0.1371 0.028 Uiso 1 1 calc R . .
C19 C -0.1976(2) 0.39062(13) 0.16642(14) 0.0187(6) Uani 1 1 d . . .
C20 C -0.2273(3) 0.45376(13) 0.19269(15) 0.0237(7) Uani 1 1 d . . .
H20 H -0.2024 0.4610 0.2420 0.028 Uiso 1 1 calc R . .
C21 C -0.2918(3) 0.50571(14) 0.14891(15) 0.0270(7) Uani 1 1 d . . .
H21 H -0.3081 0.5480 0.1685 0.032 Uiso 1 1 calc R . .
C22 C -0.3327(3) 0.49664(14) 0.07703(16) 0.0283(7) Uani 1 1 d . . .
H22 H -0.3775 0.5322 0.0470 0.034 Uiso 1 1 calc R . .
C23 C -0.3069(3) 0.43459(14) 0.04960(14) 0.0235(7) Uani 1 1 d . . .
H23 H -0.3350 0.4276 0.0003 0.028 Uiso 1 1 calc R . .
C24 C -0.2411(3) 0.38278(13) 0.09281(14) 0.0214(6) Uani 1 1 d . . .
H24 H -0.2248 0.3408 0.0725 0.026 Uiso 1 1 calc R . .
C25 C -0.0234(3) 0.40577(15) 0.48237(14) 0.0294(7) Uani 1 1 d . . .
H25A H 0.0376 0.3632 0.4861 0.044 Uiso 1 1 d R . .
H25C H -0.0494 0.4210 0.5263 0.044 Uiso 1 1 d R . .
H25B H 0.0286 0.4466 0.4635 0.044 Uiso 1 1 d R . .
C26 C -0.2376(3) 0.45269(14) 0.40839(16) 0.0337(8) Uani 1 1 d . . .
H26A H -0.3242 0.4435 0.3709 0.051 Uiso 1 1 calc R . .
H26B H -0.1776 0.4866 0.3924 0.051 Uiso 1 1 calc R . .
H26C H -0.2671 0.4697 0.4498 0.051 Uiso 1 1 calc R . .
C27 C -0.2445(3) 0.33920(14) 0.45042(15) 0.0295(7) Uani 1 1 d . . .
H27A H -0.3355 0.3331 0.4137 0.035 Uiso 1 1 calc R . .
H27B H -0.2711 0.3560 0.4932 0.035 Uiso 1 1 calc R . .
C28 C -0.1701(3) 0.27159(15) 0.46628(15) 0.0319(7) Uani 1 1 d . . .
H28A H -0.0815 0.2774 0.5045 0.038 Uiso 1 1 calc R . .
H28B H -0.2357 0.2404 0.4833 0.038 Uiso 1 1 calc R . .
C29 C -0.2559(3) 0.20885(14) 0.35885(15) 0.0320(7) Uani 1 1 d . . .
H29A H -0.2912 0.1721 0.3838 0.048 Uiso 1 1 calc R . .
H29B H -0.2280 0.1907 0.3175 0.048 Uiso 1 1 calc R . .
H29C H -0.3331 0.2424 0.3440 0.048 Uiso 1 1 calc R . .
C30 C -0.0178(3) 0.18889(15) 0.43002(17) 0.0416(9) Uani 1 1 d . . .
H30A H 0.0686 0.2098 0.4602 0.062 Uiso 1 1 calc R . .
H30B H 0.0082 0.1679 0.3895 0.062 Uiso 1 1 calc R . .
H30C H -0.0559 0.1544 0.4566 0.062 Uiso 1 1 calc R . .
C31 C 0.3269(3) 0.26733(15) 0.17181(17) 0.0369(8) Uani 1 1 d . . .
H31A H 0.2398 0.2602 0.1339 0.055 Uiso 1 1 calc R . .
H31B H 0.3196 0.2407 0.2129 0.055 Uiso 1 1 calc R . .
H31C H 0.4129 0.2532 0.1561 0.055 Uiso 1 1 calc R . .
C32 C 0.4650(3) 0.34922(15) 0.25042(15) 0.0342(8) Uani 1 1 d . . .
H32A H 0.4543 0.3210 0.2899 0.051 Uiso 1 1 calc R . .
H32B H 0.4699 0.3968 0.2645 0.051 Uiso 1 1 calc R . .
H32C H 0.5544 0.3368 0.2367 0.051 Uiso 1 1 calc R . .
C33 C 0.3548(3) 0.37915(15) 0.12991(15) 0.0333(8) Uani 1 1 d . . .
H33A H 0.2807 0.3644 0.0880 0.040 Uiso 1 1 calc R . .
H33B H 0.4516 0.3703 0.1210 0.040 Uiso 1 1 calc R . .
C34 C 0.3386(3) 0.45399(15) 0.13989(16) 0.0347(8) Uani 1 1 d . . .
H34A H 0.4158 0.4691 0.1805 0.042 Uiso 1 1 calc R . .
H34B H 0.3533 0.4779 0.0978 0.042 Uiso 1 1 calc R . .
C35 C 0.0857(3) 0.47234(16) 0.08558(15) 0.0373(8) Uani 1 1 d . . .
H35A H 0.1144 0.5025 0.0517 0.056 Uiso 1 1 calc R . .
H35B H -0.0071 0.4876 0.0940 0.056 Uiso 1 1 calc R . .
H35C H 0.0750 0.4263 0.0669 0.056 Uiso 1 1 calc R . .
C36 C 0.2072(4) 0.54260(15) 0.17957(17) 0.0472(9) Uani 1 1 d . . .
H36A H 0.2774 0.5438 0.2252 0.071 Uiso 1 1 calc R . .
H36B H 0.1118 0.5570 0.1852 0.071 Uiso 1 1 calc R . .
H36C H 0.2392 0.5731 0.1469 0.071 Uiso 1 1 calc R . .
 
loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
Na1 0.0216(5) 0.0246(6) 0.0215(6) 0.0008(5) 0.0060(4) -0.0030(5)
Na2 0.0202(5) 0.0270(6) 0.0218(6) 0.0013(5) 0.0051(5) -0.0025(5)
N1 0.0182(12) 0.0221(14) 0.0215(14) 0.0006(10) 0.0024(10) -0.0017(10)
N2 0.0184(11) 0.0221(13) 0.0198(13) 0.0006(11) 0.0012(10) 0.0013(10)
N3 0.0192(12) 0.0231(13) 0.0252(14) -0.0026(11) 0.0041(10) -0.0001(10)
N4 0.0243(12) 0.0244(13) 0.0259(14) 0.0032(11) 0.0059(11) 0.0015(10)
N5 0.0220(12) 0.0301(14) 0.0270(15) 0.0008(12) 0.0064(11) 0.0004(11)
N6 0.0238(12) 0.0261(14) 0.0218(14) 0.0016(11) 0.0039(11) -0.0018(10)
C1 0.0135(13) 0.0275(17) 0.0219(17) 0.0001(14) 0.0040(12) -0.0051(12)
C2 0.0213(14) 0.0266(17) 0.0251(18) -0.0030(14) 0.0035(13) -0.0066(13)
C3 0.0242(15) 0.0212(17) 0.044(2) 0.0008(15) 0.0108(15) 0.0008(13)
C4 0.0193(15) 0.0325(19) 0.039(2) 0.0134(16) 0.0045(14) 0.0013(13)
C5 0.0200(15) 0.037(2) 0.0260(18) 0.0055(15) 0.0039(13) -0.0047(14)
C6 0.0193(14) 0.0264(16) 0.0246(18) 0.0000(14) 0.0051(12) -0.0018(13)
C7 0.0214(14) 0.0263(17) 0.0144(15) -0.0011(13) 0.0052(12) 0.0011(13)
C8 0.0239(15) 0.0307(19) 0.0243(17) 0.0017(14) 0.0054(13) -0.0010(13)
C9 0.0355(17) 0.0330(19) 0.0252(18) 0.0045(15) 0.0097(14) 0.0100(15)
C10 0.050(2) 0.0241(18) 0.0301(19) -0.0025(14) 0.0153(16) -0.0031(15)
C11 0.0342(17) 0.0315(19) 0.0298(19) -0.0015(15) 0.0052(14) -0.0109(14)
C12 0.0233(15) 0.0290(18) 0.0224(17) 0.0018(14) 0.0048(13) -0.0031(13)
C13 0.0214(14) 0.0248(16) 0.0147(15) -0.0009(13) 0.0068(12) 0.0005(13)
C14 0.0245(15) 0.0295(18) 0.0253(18) -0.0001(14) 0.0056(13) 0.0019(13)
C15 0.0385(18) 0.0287(18) 0.0300(19) 0.0019(15) 0.0090(14) 0.0109(15)
C16 0.056(2) 0.0193(17) 0.034(2) -0.0027(14) 0.0164(17) -0.0018(15)
C17 0.0323(17) 0.0330(19) 0.0246(18) -0.0035(14) 0.0091(14) -0.0107(14)
C18 0.0231(14) 0.0272(17) 0.0198(16) -0.0010(13) 0.0070(12) -0.0028(12)
C19 0.0107(13) 0.0215(16) 0.0232(17) -0.0008(13) 0.0026(12) -0.0043(11)
C20 0.0203(14) 0.0280(17) 0.0214(16) -0.0017(14) 0.0020(12) -0.0021(13)
C21 0.0233(15) 0.0181(16) 0.038(2) -0.0030(14) 0.0036(14) 0.0005(12)
C22 0.0208(15) 0.0260(17) 0.034(2) 0.0073(15) -0.0013(13) -0.0013(13)
C23 0.0195(14) 0.0329(18) 0.0174(16) 0.0026(14) 0.0030(12) -0.0035(13)
C24 0.0182(14) 0.0200(16) 0.0256(17) -0.0019(13) 0.0041(12) -0.0016(12)
C25 0.0266(16) 0.0371(18) 0.0245(18) -0.0073(14) 0.0065(13) -0.0036(13)
C26 0.0304(17) 0.0318(18) 0.038(2) -0.0020(15) 0.0069(14) 0.0032(14)
C27 0.0282(16) 0.0365(19) 0.0269(18) -0.0060(15) 0.0125(13) -0.0064(14)
C28 0.0347(17) 0.0367(19) 0.0261(19) 0.0048(15) 0.0105(14) -0.0068(15)
C29 0.0342(17) 0.0272(18) 0.0340(19) 0.0000(14) 0.0069(14) -0.0019(14)
C30 0.0344(17) 0.0358(19) 0.055(2) 0.0151(17) 0.0118(16) 0.0081(15)
C31 0.0318(17) 0.037(2) 0.044(2) -0.0065(16) 0.0134(15) 0.0006(14)
C32 0.0293(16) 0.042(2) 0.0321(19) 0.0045(15) 0.0084(14) 0.0029(14)
C33 0.0261(16) 0.047(2) 0.0289(19) 0.0050(16) 0.0114(14) 0.0079(15)
C34 0.0245(16) 0.049(2) 0.0304(19) 0.0117(16) 0.0055(14) -0.0038(15)
C35 0.0252(16) 0.052(2) 0.0324(19) 0.0089(16) 0.0017(14) -0.0016(15)
C36 0.066(2) 0.036(2) 0.042(2) 0.0029(17) 0.0180(18) -0.0104(17)
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Na1 N1 2.422(2) . ?
Na1 N2 2.436(2) . ?
Na1 N4 2.460(2) . ?
Na1 N3 2.466(2) . ?
Na1 C13 2.930(3) . ?
Na1 C14 3.020(3) . ?
Na1 C25 3.119(3) . ?
Na1 Na2 3.2103(14) . ?
Na2 N2 2.466(2) . ?
Na2 N5 2.479(2) . ?
Na2 N1 2.484(2) . ?
Na2 N6 2.498(2) . ?
Na2 C7 2.832(3) . ?
Na2 C8 2.921(3) . ?
Na2 C19 3.087(3) . ?
N1 C7 1.385(3) . ?
N1 C1 1.393(3) . ?
N2 C13 1.386(3) . ?
N2 C19 1.392(3) . ?
N3 C26 1.466(3) . ?
N3 C27 1.476(3) . ?
N3 C25 1.476(3) . ?
N4 C28 1.469(3) . ?
N4 C29 1.469(3) . ?
N4 C30 1.471(3) . ?
N5 C31 1.461(3) . ?
N5 C33 1.469(3) . ?
N5 C32 1.475(3) . ?
N6 C35 1.463(3) . ?
N6 C34 1.466(3) . ?
N6 C36 1.470(4) . ?
C1 C2 1.403(4) . ?
C1 C6 1.413(4) . ?
C2 C3 1.383(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.378(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.380(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.411(4) . ?
C7 C12 1.415(3) . ?
C8 C9 1.382(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.383(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.378(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.412(3) . ?
C13 C14 1.413(4) . ?
C14 C15 1.376(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.387(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.407(4) . ?
C19 C24 1.413(4) . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.387(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 H25A 1.0151 . ?
C25 H25C 0.9983 . ?
C25 H25B 1.0596 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.511(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.508(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
N1 Na1 N2 99.43(8) . . ?
N1 Na1 N4 123.92(8) . . ?
N2 Na1 N4 124.35(8) . . ?
N1 Na1 N3 106.06(8) . . ?
N2 Na1 N3 127.86(8) . . ?
N4 Na1 N3 75.22(8) . . ?
N1 Na1 C13 109.75(8) . . ?
N2 Na1 C13 28.06(7) . . ?
N4 Na1 C13 98.99(8) . . ?
N3 Na1 C13 139.65(8) . . ?
N1 Na1 C14 95.91(8) . . ?
N2 Na1 C14 51.01(7) . . ?
N4 Na1 C14 88.21(8) . . ?
N3 Na1 C14 157.38(8) . . ?
C13 Na1 C14 27.43(7) . . ?
N1 Na1 C25 80.70(7) . . ?
N2 Na1 C25 145.53(8) . . ?
N4 Na1 C25 80.42(8) . . ?
N3 Na1 C25 27.60(7) . . ?
C13 Na1 C25 167.05(8) . . ?
C14 Na1 C25 163.36(8) . . ?
N1 Na1 Na2 49.96(6) . . ?
N2 Na1 Na2 49.50(5) . . ?
N4 Na1 Na2 151.69(7) . . ?
N3 Na1 Na2 132.17(6) . . ?
C13 Na1 Na2 65.60(6) . . ?
C14 Na1 Na2 67.14(6) . . ?
C25 Na1 Na2 120.02(6) . . ?
N2 Na2 N5 128.46(8) . . ?
N2 Na2 N1 96.96(7) . . ?
N5 Na2 N1 104.39(8) . . ?
N2 Na2 N6 120.95(8) . . ?
N5 Na2 N6 74.23(8) . . ?
N1 Na2 N6 133.17(8) . . ?
N2 Na2 C7 110.45(8) . . ?
N5 Na2 C7 110.88(8) . . ?
N1 Na2 C7 29.28(7) . . ?
N6 Na2 C7 105.94(8) . . ?
N2 Na2 C8 96.95(8) . . ?
N5 Na2 C8 133.05(8) . . ?
N1 Na2 C8 52.14(7) . . ?
N6 Na2 C8 93.83(8) . . ?
C7 Na2 C8 28.33(7) . . ?
N2 Na2 C19 26.10(7) . . ?
N5 Na2 C19 132.67(8) . . ?
N1 Na2 C19 114.73(7) . . ?
N6 Na2 C19 95.71(7) . . ?
C7 Na2 C19 116.31(8) . . ?
C8 Na2 C19 93.00(8) . . ?
N2 Na2 Na1 48.68(5) . . ?
N5 Na2 Na1 132.31(7) . . ?
N1 Na2 Na1 48.30(5) . . ?
N6 Na2 Na1 153.36(7) . . ?
C7 Na2 Na1 65.96(6) . . ?
C8 Na2 Na1 66.88(6) . . ?
C19 Na2 Na1 68.50(5) . . ?
C7 N1 C1 118.8(2) . . ?
C7 N1 Na1 117.83(16) . . ?
C1 N1 Na1 108.80(15) . . ?
C7 N1 Na2 89.43(15) . . ?
C1 N1 Na2 136.13(17) . . ?
Na1 N1 Na2 81.74(7) . . ?
C13 N2 C19 120.2(2) . . ?
C13 N2 Na1 96.18(15) . . ?
C19 N2 Na1 133.87(17) . . ?
C13 N2 Na2 117.09(15) . . ?
C19 N2 Na2 102.70(15) . . ?
Na1 N2 Na2 81.81(7) . . ?
C26 N3 C27 109.4(2) . . ?
C26 N3 C25 108.4(2) . . ?
C27 N3 C25 110.8(2) . . ?
C26 N3 Na1 120.80(17) . . ?
C27 N3 Na1 105.43(16) . . ?
C25 N3 Na1 101.67(15) . . ?
C28 N4 C29 110.5(2) . . ?
C28 N4 C30 109.6(2) . . ?
C29 N4 C30 108.5(2) . . ?
C28 N4 Na1 107.43(16) . . ?
C29 N4 Na1 107.53(16) . . ?
C30 N4 Na1 113.24(16) . . ?
C31 N5 C33 110.0(2) . . ?
C31 N5 C32 109.7(2) . . ?
C33 N5 C32 110.5(2) . . ?
C31 N5 Na2 115.48(16) . . ?
C33 N5 Na2 107.15(16) . . ?
C32 N5 Na2 103.80(16) . . ?
C35 N6 C34 110.6(2) . . ?
C35 N6 C36 108.2(2) . . ?
C34 N6 C36 108.9(2) . . ?
C35 N6 Na2 108.19(16) . . ?
C34 N6 Na2 106.76(16) . . ?
C36 N6 Na2 114.23(17) . . ?
N1 C1 C2 120.1(2) . . ?
N1 C1 C6 123.9(2) . . ?
C2 C1 C6 115.8(2) . . ?
C3 C2 C1 122.3(3) . . ?
C3 C2 H2 118.8 . . ?
C1 C2 H2 118.8 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 119.1(3) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C6 C5 C4 120.6(3) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C1 121.8(3) . . ?
C5 C6 H6 119.1 . . ?
C1 C6 H6 119.1 . . ?
N1 C7 C8 118.9(2) . . ?
N1 C7 C12 125.8(2) . . ?
C8 C7 C12 115.0(3) . . ?
N1 C7 Na2 61.28(13) . . ?
C8 C7 Na2 79.37(15) . . ?
C12 C7 Na2 127.17(18) . . ?
C9 C8 C7 122.8(3) . . ?
C9 C8 Na2 129.13(19) . . ?
C7 C8 Na2 72.30(15) . . ?
C9 C8 H8 118.6 . . ?
C7 C8 H8 118.6 . . ?
Na2 C8 H8 70.0 . . ?
C8 C9 C10 120.5(3) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C9 C10 C11 118.3(3) . . ?
C9 C10 H10 120.8 . . ?
C11 C10 H10 120.8 . . ?
C12 C11 C10 121.6(3) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C11 C12 C7 121.8(3) . . ?
C11 C12 H12 119.1 . . ?
C7 C12 H12 119.1 . . ?
N2 C13 C18 125.7(2) . . ?
N2 C13 C14 118.7(2) . . ?
C18 C13 C14 115.5(2) . . ?
N2 C13 Na1 55.76(13) . . ?
C18 C13 Na1 133.62(17) . . ?
C14 C13 Na1 79.86(15) . . ?
C15 C14 C13 122.6(3) . . ?
C15 C14 Na1 135.0(2) . . ?
C13 C14 Na1 72.72(15) . . ?
C15 C14 H14 118.7 . . ?
C13 C14 H14 118.7 . . ?
Na1 C14 H14 64.7 . . ?
C14 C15 C16 120.7(3) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 118.0(3) . . ?
C17 C16 H16 121.0 . . ?
C15 C16 H16 121.0 . . ?
C16 C17 C18 122.0(3) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C17 C18 C13 121.2(3) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
N2 C19 C20 119.3(2) . . ?
N2 C19 C24 124.4(2) . . ?
C20 C19 C24 115.9(2) . . ?
N2 C19 Na2 51.20(11) . . ?
C20 C19 Na2 98.21(15) . . ?
C24 C19 Na2 116.08(16) . . ?
C21 C20 C19 122.0(3) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C22 C21 C20 120.7(3) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 118.6(3) . . ?
C21 C22 H22 120.7 . . ?
C23 C22 H22 120.7 . . ?
C24 C23 C22 121.1(3) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C23 C24 C19 121.6(3) . . ?
C23 C24 H24 119.2 . . ?
C19 C24 H24 119.2 . . ?
N3 C25 Na1 50.74(12) . . ?
N3 C25 H25A 104.1 . . ?
Na1 C25 H25A 66.1 . . ?
N3 C25 H25C 111.6 . . ?
Na1 C25 H25C 159.6 . . ?
H25A C25 H25C 116.3 . . ?
N3 C25 H25B 106.0 . . ?
Na1 C25 H25B 89.0 . . ?
H25A C25 H25B 110.8 . . ?
H25C C25 H25B 107.6 . . ?
N3 C26 H26A 109.5 . . ?
N3 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N3 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C27 C28 113.3(2) . . ?
N3 C27 H27A 108.9 . . ?
C28 C27 H27A 108.9 . . ?
N3 C27 H27B 108.9 . . ?
C28 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
N4 C28 C27 113.7(2) . . ?
N4 C28 H28A 108.8 . . ?
C27 C28 H28A 108.8 . . ?
N4 C28 H28B 108.8 . . ?
C27 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
N4 C29 H29A 109.5 . . ?
N4 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N4 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N4 C30 H30A 109.5 . . ?
N4 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N4 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N5 C31 H31A 109.5 . . ?
N5 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
N5 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N5 C32 H32A 109.5 . . ?
N5 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N5 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N5 C33 C34 113.4(2) . . ?
N5 C33 H33A 108.9 . . ?
C34 C33 H33A 108.9 . . ?
N5 C33 H33B 108.9 . . ?
C34 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?
N6 C34 C33 113.8(2) . . ?
N6 C34 H34A 108.8 . . ?
C33 C34 H34A 108.8 . . ?
N6 C34 H34B 108.8 . . ?
C33 C34 H34B 108.8 . . ?
H34A C34 H34B 107.7 . . ?
N6 C35 H35A 109.5 . . ?
N6 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N6 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N6 C36 H36A 109.5 . . ?
N6 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N6 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
 
loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
N1 Na1 Na2 N2 177.49(10) . . . . ?
N4 Na1 Na2 N2 88.81(15) . . . . ?
N3 Na1 Na2 N2 -108.39(11) . . . . ?
C13 Na1 Na2 N2 27.52(8) . . . . ?
C14 Na1 Na2 N2 57.46(9) . . . . ?
C25 Na1 Na2 N2 -139.34(10) . . . . ?
N1 Na1 Na2 N5 68.84(11) . . . . ?
N2 Na1 Na2 N5 -108.65(11) . . . . ?
N4 Na1 Na2 N5 -19.84(17) . . . . ?
N3 Na1 Na2 N5 142.96(11) . . . . ?
C13 Na1 Na2 N5 -81.13(10) . . . . ?
C14 Na1 Na2 N5 -51.19(10) . . . . ?
C25 Na1 Na2 N5 112.01(10) . . . . ?
N2 Na1 Na2 N1 -177.49(10) . . . . ?
N4 Na1 Na2 N1 -88.68(15) . . . . ?
N3 Na1 Na2 N1 74.12(10) . . . . ?
C13 Na1 Na2 N1 -149.97(9) . . . . ?
C14 Na1 Na2 N1 -120.02(9) . . . . ?
C25 Na1 Na2 N1 43.17(9) . . . . ?
N1 Na1 Na2 N6 -105.52(16) . . . . ?
N2 Na1 Na2 N6 76.99(15) . . . . ?
N4 Na1 Na2 N6 165.80(16) . . . . ?
N3 Na1 Na2 N6 -31.40(17) . . . . ?
C13 Na1 Na2 N6 104.50(15) . . . . ?
C14 Na1 Na2 N6 134.45(15) . . . . ?
C25 Na1 Na2 N6 -62.36(16) . . . . ?
N1 Na1 Na2 C7 -28.15(9) . . . . ?
N2 Na1 Na2 C7 154.36(9) . . . . ?
N4 Na1 Na2 C7 -116.83(15) . . . . ?
N3 Na1 Na2 C7 45.97(10) . . . . ?
C13 Na1 Na2 C7 -178.13(9) . . . . ?
C14 Na1 Na2 C7 -148.18(8) . . . . ?
C25 Na1 Na2 C7 15.01(9) . . . . ?
N1 Na1 Na2 C8 -59.11(9) . . . . ?
N2 Na1 Na2 C8 123.40(9) . . . . ?
N4 Na1 Na2 C8 -147.79(15) . . . . ?
N3 Na1 Na2 C8 15.01(10) . . . . ?
C13 Na1 Na2 C8 150.91(8) . . . . ?
C14 Na1 Na2 C8 -179.14(8) . . . . ?
C25 Na1 Na2 C8 -15.95(9) . . . . ?
N1 Na1 Na2 C19 -162.37(9) . . . . ?
N2 Na1 Na2 C19 20.14(8) . . . . ?
N4 Na1 Na2 C19 108.95(14) . . . . ?
N3 Na1 Na2 C19 -88.25(10) . . . . ?
C13 Na1 Na2 C19 47.66(8) . . . . ?
C14 Na1 Na2 C19 77.60(8) . . . . ?
C25 Na1 Na2 C19 -119.20(9) . . . . ?
N2 Na1 N1 C7 86.89(19) . . . . ?
N4 Na1 N1 C7 -129.90(18) . . . . ?
N3 Na1 N1 C7 -47.16(19) . . . . ?
C13 Na1 N1 C7 113.91(18) . . . . ?
C14 Na1 N1 C7 138.28(18) . . . . ?
C25 Na1 N1 C7 -58.16(18) . . . . ?
Na2 Na1 N1 C7 84.95(18) . . . . ?
N2 Na1 N1 C1 -134.13(17) . . . . ?
N4 Na1 N1 C1 9.1(2) . . . . ?
N3 Na1 N1 C1 91.82(17) . . . . ?
C13 Na1 N1 C1 -107.11(17) . . . . ?
C14 Na1 N1 C1 -82.74(17) . . . . ?
C25 Na1 N1 C1 80.82(17) . . . . ?
Na2 Na1 N1 C1 -136.07(19) . . . . ?
N2 Na1 N1 Na2 1.94(8) . . . . ?
N4 Na1 N1 Na2 145.15(9) . . . . ?
N3 Na1 N1 Na2 -132.11(7) . . . . ?
C13 Na1 N1 Na2 28.96(9) . . . . ?
C14 Na1 N1 Na2 53.33(7) . . . . ?
C25 Na1 N1 Na2 -143.11(8) . . . . ?
N2 Na2 N1 C7 -120.14(14) . . . . ?
N5 Na2 N1 C7 107.15(14) . . . . ?
N6 Na2 N1 C7 25.44(18) . . . . ?
C8 Na2 N1 C7 -26.73(13) . . . . ?
C19 Na2 N1 C7 -100.17(14) . . . . ?
Na1 Na2 N1 C7 -118.24(15) . . . . ?
N2 Na2 N1 C1 106.7(2) . . . . ?
N5 Na2 N1 C1 -26.0(2) . . . . ?
N6 Na2 N1 C1 -107.7(2) . . . . ?
C7 Na2 N1 C1 -133.2(3) . . . . ?
C8 Na2 N1 C1 -159.9(3) . . . . ?
C19 Na2 N1 C1 126.7(2) . . . . ?
Na1 Na2 N1 C1 108.6(2) . . . . ?
N2 Na2 N1 Na1 -1.90(8) . . . . ?
N5 Na2 N1 Na1 -134.60(8) . . . . ?
N6 Na2 N1 Na1 143.68(9) . . . . ?
C7 Na2 N1 Na1 118.24(15) . . . . ?
C8 Na2 N1 Na1 91.51(9) . . . . ?
C19 Na2 N1 Na1 18.07(9) . . . . ?
N1 Na1 N2 C13 114.61(14) . . . . ?
N4 Na1 N2 C13 -28.38(17) . . . . ?
N3 Na1 N2 C13 -126.42(15) . . . . ?
C14 Na1 N2 C13 24.62(13) . . . . ?
C25 Na1 N2 C13 -158.11(15) . . . . ?
Na2 Na1 N2 C13 116.56(15) . . . . ?
N1 Na1 N2 C19 -101.7(2) . . . . ?
N4 Na1 N2 C19 115.3(2) . . . . ?
N3 Na1 N2 C19 17.2(3) . . . . ?
C13 Na1 N2 C19 143.7(3) . . . . ?
C14 Na1 N2 C19 168.3(2) . . . . ?
C25 Na1 N2 C19 -14.5(3) . . . . ?
Na2 Na1 N2 C19 -99.8(2) . . . . ?
N1 Na1 N2 Na2 -1.95(8) . . . . ?
N4 Na1 N2 Na2 -144.94(8) . . . . ?
N3 Na1 N2 Na2 117.02(9) . . . . ?
C13 Na1 N2 Na2 -116.56(15) . . . . ?
C14 Na1 N2 Na2 -91.94(9) . . . . ?
C25 Na1 N2 Na2 85.33(13) . . . . ?
N5 Na2 N2 C13 23.7(2) . . . . ?
N1 Na2 N2 C13 -90.90(18) . . . . ?
N6 Na2 N2 C13 117.83(18) . . . . ?
C7 Na2 N2 C13 -117.73(18) . . . . ?
C8 Na2 N2 C13 -143.45(18) . . . . ?
C19 Na2 N2 C13 134.0(3) . . . . ?
Na1 Na2 N2 C13 -92.79(18) . . . . ?
N5 Na2 N2 C19 -110.24(17) . . . . ?
N1 Na2 N2 C19 135.15(16) . . . . ?
N6 Na2 N2 C19 -16.12(19) . . . . ?
C7 Na2 N2 C19 108.31(16) . . . . ?
C8 Na2 N2 C19 82.59(16) . . . . ?
Na1 Na2 N2 C19 133.26(18) . . . . ?
N5 Na2 N2 Na1 116.51(10) . . . . ?
N1 Na2 N2 Na1 1.89(8) . . . . ?
N6 Na2 N2 Na1 -149.38(8) . . . . ?
C7 Na2 N2 Na1 -24.95(9) . . . . ?
C8 Na2 N2 Na1 -50.67(8) . . . . ?
C19 Na2 N2 Na1 -133.26(18) . . . . ?
N1 Na1 N3 C26 95.84(19) . . . . ?
N2 Na1 N3 C26 -20.2(2) . . . . ?
N4 Na1 N3 C26 -142.52(19) . . . . ?
C13 Na1 N3 C26 -56.0(2) . . . . ?
C14 Na1 N3 C26 -98.3(3) . . . . ?
C25 Na1 N3 C26 119.8(3) . . . . ?
Na2 Na1 N3 C26 45.8(2) . . . . ?
N1 Na1 N3 C27 -139.65(15) . . . . ?
N2 Na1 N3 C27 104.27(17) . . . . ?
N4 Na1 N3 C27 -18.01(15) . . . . ?
C13 Na1 N3 C27 68.5(2) . . . . ?
C14 Na1 N3 C27 26.2(3) . . . . ?
C25 Na1 N3 C27 -115.7(2) . . . . ?
Na2 Na1 N3 C27 170.33(13) . . . . ?
N1 Na1 N3 C25 -23.99(17) . . . . ?
N2 Na1 N3 C25 -140.07(16) . . . . ?
N4 Na1 N3 C25 97.65(16) . . . . ?
C13 Na1 N3 C25 -175.85(15) . . . . ?
C14 Na1 N3 C25 141.8(2) . . . . ?
Na2 Na1 N3 C25 -74.01(17) . . . . ?
N1 Na1 N4 C28 89.78(18) . . . . ?
N2 Na1 N4 C28 -135.90(16) . . . . ?
N3 Na1 N4 C28 -9.85(16) . . . . ?
C13 Na1 N4 C28 -148.98(16) . . . . ?
C14 Na1 N4 C28 -174.29(17) . . . . ?
C25 Na1 N4 C28 17.90(16) . . . . ?
Na2 Na1 N4 C28 157.05(15) . . . . ?
N1 Na1 N4 C29 -151.22(16) . . . . ?
N2 Na1 N4 C29 -16.9(2) . . . . ?
N3 Na1 N4 C29 109.15(17) . . . . ?
C13 Na1 N4 C29 -29.98(18) . . . . ?
C14 Na1 N4 C29 -55.29(17) . . . . ?
C25 Na1 N4 C29 136.91(17) . . . . ?
Na2 Na1 N4 C29 -83.9(2) . . . . ?
N1 Na1 N4 C30 -31.3(2) . . . . ?
N2 Na1 N4 C30 103.0(2) . . . . ?
N3 Na1 N4 C30 -131.0(2) . . . . ?
C13 Na1 N4 C30 89.91(19) . . . . ?
C14 Na1 N4 C30 64.61(19) . . . . ?
C25 Na1 N4 C30 -103.20(19) . . . . ?
Na2 Na1 N4 C30 35.9(3) . . . . ?
N2 Na2 N5 C31 -20.5(2) . . . . ?
N1 Na2 N5 C31 90.81(19) . . . . ?
N6 Na2 N5 C31 -137.8(2) . . . . ?
C7 Na2 N5 C31 120.82(19) . . . . ?
C8 Na2 N5 C31 141.95(18) . . . . ?
C19 Na2 N5 C31 -54.6(2) . . . . ?
Na1 Na2 N5 C31 44.8(2) . . . . ?
N2 Na2 N5 C33 102.42(18) . . . . ?
N1 Na2 N5 C33 -146.26(17) . . . . ?
N6 Na2 N5 C33 -14.85(17) . . . . ?
C7 Na2 N5 C33 -116.25(17) . . . . ?
C8 Na2 N5 C33 -95.12(19) . . . . ?
C19 Na2 N5 C33 68.3(2) . . . . ?
Na1 Na2 N5 C33 167.78(15) . . . . ?
N2 Na2 N5 C32 -140.57(16) . . . . ?
N1 Na2 N5 C32 -29.26(18) . . . . ?
N6 Na2 N5 C32 102.16(17) . . . . ?
C7 Na2 N5 C32 0.76(19) . . . . ?
C8 Na2 N5 C32 21.9(2) . . . . ?
C19 Na2 N5 C32 -174.72(15) . . . . ?
Na1 Na2 N5 C32 -75.22(18) . . . . ?
N2 Na2 N6 C35 -19.8(2) . . . . ?
N5 Na2 N6 C35 105.93(18) . . . . ?
N1 Na2 N6 C35 -158.96(17) . . . . ?
C7 Na2 N6 C35 -146.34(17) . . . . ?
C8 Na2 N6 C35 -120.28(18) . . . . ?
C19 Na2 N6 C35 -26.87(18) . . . . ?
Na1 Na2 N6 C35 -78.4(2) . . . . ?
N2 Na2 N6 C34 -138.83(17) . . . . ?
N5 Na2 N6 C34 -13.08(17) . . . . ?
N1 Na2 N6 C34 82.03(19) . . . . ?
C7 Na2 N6 C34 94.65(17) . . . . ?
C8 Na2 N6 C34 120.71(17) . . . . ?
C19 Na2 N6 C34 -145.88(17) . . . . ?
Na1 Na2 N6 C34 162.59(15) . . . . ?
N2 Na2 N6 C36 100.8(2) . . . . ?
N5 Na2 N6 C36 -133.4(2) . . . . ?
N1 Na2 N6 C36 -38.3(2) . . . . ?
C7 Na2 N6 C36 -25.7(2) . . . . ?
C8 Na2 N6 C36 0.34(19) . . . . ?
C19 Na2 N6 C36 93.75(19) . . . . ?
Na1 Na2 N6 C36 42.2(3) . . . . ?
C7 N1 C1 C2 -148.4(2) . . . . ?
Na1 N1 C1 C2 73.1(2) . . . . ?
Na2 N1 C1 C2 -24.7(4) . . . . ?
C7 N1 C1 C6 37.1(3) . . . . ?
Na1 N1 C1 C6 -101.4(2) . . . . ?
Na2 N1 C1 C6 160.81(19) . . . . ?
N1 C1 C2 C3 -176.6(2) . . . . ?
C6 C1 C2 C3 -1.7(4) . . . . ?
C1 C2 C3 C4 0.4(4) . . . . ?
C2 C3 C4 C5 0.8(4) . . . . ?
C3 C4 C5 C6 -0.7(4) . . . . ?
C4 C5 C6 C1 -0.6(4) . . . . ?
N1 C1 C6 C5 176.5(2) . . . . ?
C2 C1 C6 C5 1.8(4) . . . . ?
C1 N1 C7 C8 -158.1(2) . . . . ?
Na1 N1 C7 C8 -23.2(3) . . . . ?
Na2 N1 C7 C8 57.1(2) . . . . ?
C1 N1 C7 C12 27.8(4) . . . . ?
Na1 N1 C7 C12 162.6(2) . . . . ?
Na2 N1 C7 C12 -117.0(3) . . . . ?
C1 N1 C7 Na2 144.8(2) . . . . ?
Na1 N1 C7 Na2 -80.34(12) . . . . ?
N2 Na2 C7 N1 66.37(15) . . . . ?
N5 Na2 C7 N1 -82.15(15) . . . . ?
N6 Na2 C7 N1 -160.99(14) . . . . ?
C8 Na2 C7 N1 131.6(2) . . . . ?
C19 Na2 C7 N1 94.14(15) . . . . ?
Na1 Na2 C7 N1 46.08(12) . . . . ?
N2 Na2 C7 C8 -65.19(17) . . . . ?
N5 Na2 C7 C8 146.29(15) . . . . ?
N1 Na2 C7 C8 -131.6(2) . . . . ?
N6 Na2 C7 C8 67.45(16) . . . . ?
C19 Na2 C7 C8 -37.42(18) . . . . ?
Na1 Na2 C7 C8 -85.49(15) . . . . ?
N2 Na2 C7 C12 -178.6(2) . . . . ?
N5 Na2 C7 C12 32.8(3) . . . . ?
N1 Na2 C7 C12 115.0(3) . . . . ?
N6 Na2 C7 C12 -46.0(2) . . . . ?
C8 Na2 C7 C12 -113.5(3) . . . . ?
C19 Na2 C7 C12 -150.9(2) . . . . ?
Na1 Na2 C7 C12 161.1(2) . . . . ?
N1 C7 C8 C9 -174.2(3) . . . . ?
C12 C7 C8 C9 0.6(4) . . . . ?
Na2 C7 C8 C9 -125.6(3) . . . . ?
N1 C7 C8 Na2 -48.6(2) . . . . ?
C12 C7 C8 Na2 126.2(2) . . . . ?
N2 Na2 C8 C9 -120.7(2) . . . . ?
N5 Na2 C8 C9 73.0(3) . . . . ?
N1 Na2 C8 C9 145.9(3) . . . . ?
N6 Na2 C8 C9 1.1(3) . . . . ?
C7 Na2 C8 C9 118.2(3) . . . . ?
C19 Na2 C8 C9 -94.8(2) . . . . ?
Na1 Na2 C8 C9 -159.9(3) . . . . ?
N2 Na2 C8 C7 121.05(16) . . . . ?
N5 Na2 C8 C7 -45.2(2) . . . . ?
N1 Na2 C8 C7 27.62(14) . . . . ?
N6 Na2 C8 C7 -117.12(16) . . . . ?
C19 Na2 C8 C7 146.94(16) . . . . ?
Na1 Na2 C8 C7 81.87(15) . . . . ?
C7 C8 C9 C10 -0.6(4) . . . . ?
Na2 C8 C9 C10 -93.9(3) . . . . ?
C8 C9 C10 C11 0.4(4) . . . . ?
C9 C10 C11 C12 -0.4(4) . . . . ?
C10 C11 C12 C7 0.5(4) . . . . ?
N1 C7 C12 C11 173.8(3) . . . . ?
C8 C7 C12 C11 -0.6(4) . . . . ?
Na2 C7 C12 C11 95.1(3) . . . . ?
C19 N2 C13 C18 -27.8(4) . . . . ?
Na1 N2 C13 C18 122.6(2) . . . . ?
Na2 N2 C13 C18 -153.5(2) . . . . ?
C19 N2 C13 C14 157.6(2) . . . . ?
Na1 N2 C13 C14 -52.1(2) . . . . ?
Na2 N2 C13 C14 31.9(3) . . . . ?
C19 N2 C13 Na1 -150.4(2) . . . . ?
Na2 N2 C13 Na1 83.94(13) . . . . ?
N1 Na1 C13 N2 -72.34(15) . . . . ?
N4 Na1 C13 N2 156.59(14) . . . . ?
N3 Na1 C13 N2 78.87(18) . . . . ?
C14 Na1 C13 N2 -135.3(2) . . . . ?
C25 Na1 C13 N2 70.3(4) . . . . ?
Na2 Na1 C13 N2 -48.32(13) . . . . ?
N1 Na1 C13 C18 178.7(2) . . . . ?
N2 Na1 C13 C18 -109.0(3) . . . . ?
N4 Na1 C13 C18 47.6(3) . . . . ?
N3 Na1 C13 C18 -30.1(3) . . . . ?
C14 Na1 C13 C18 115.7(3) . . . . ?
C25 Na1 C13 C18 -38.7(5) . . . . ?
Na2 Na1 C13 C18 -157.3(3) . . . . ?
N1 Na1 C13 C14 62.99(17) . . . . ?
N2 Na1 C13 C14 135.3(2) . . . . ?
N4 Na1 C13 C14 -68.08(16) . . . . ?
N3 Na1 C13 C14 -145.79(16) . . . . ?
C25 Na1 C13 C14 -154.4(3) . . . . ?
Na2 Na1 C13 C14 87.01(15) . . . . ?
N2 C13 C14 C15 174.3(2) . . . . ?
C18 C13 C14 C15 -0.9(4) . . . . ?
Na1 C13 C14 C15 132.8(3) . . . . ?
N2 C13 C14 Na1 41.5(2) . . . . ?
C18 C13 C14 Na1 -133.7(2) . . . . ?
N1 Na1 C14 C15 118.3(3) . . . . ?
N2 Na1 C14 C15 -144.3(3) . . . . ?
N4 Na1 C14 C15 -5.6(3) . . . . ?
N3 Na1 C14 C15 -48.0(4) . . . . ?
C13 Na1 C14 C15 -119.2(3) . . . . ?
C25 Na1 C14 C15 41.1(4) . . . . ?
Na2 Na1 C14 C15 160.1(3) . . . . ?
N1 Na1 C14 C13 -122.54(16) . . . . ?
N2 Na1 C14 C13 -25.18(14) . . . . ?
N4 Na1 C14 C13 113.54(16) . . . . ?
N3 Na1 C14 C13 71.1(3) . . . . ?
C25 Na1 C14 C13 160.2(2) . . . . ?
Na2 Na1 C14 C13 -80.75(15) . . . . ?
C13 C14 C15 C16 0.0(4) . . . . ?
Na1 C14 C15 C16 98.1(3) . . . . ?
C14 C15 C16 C17 0.7(4) . . . . ?
C15 C16 C17 C18 -0.5(4) . . . . ?
C16 C17 C18 C13 -0.5(4) . . . . ?
N2 C13 C18 C17 -173.7(2) . . . . ?
C14 C13 C18 C17 1.1(4) . . . . ?
Na1 C13 C18 C17 -99.5(3) . . . . ?
C13 N2 C19 C20 151.8(2) . . . . ?
Na1 N2 C19 C20 14.8(3) . . . . ?
Na2 N2 C19 C20 -76.0(2) . . . . ?
C13 N2 C19 C24 -34.5(3) . . . . ?
Na1 N2 C19 C24 -171.57(17) . . . . ?
Na2 N2 C19 C24 97.6(2) . . . . ?
C13 N2 C19 Na2 -132.2(3) . . . . ?
Na1 N2 C19 Na2 90.81(19) . . . . ?
N5 Na2 C19 N2 92.37(18) . . . . ?
N1 Na2 C19 N2 -50.42(17) . . . . ?
N6 Na2 C19 N2 166.15(16) . . . . ?
C7 Na2 C19 N2 -82.91(17) . . . . ?
C8 Na2 C19 N2 -99.70(16) . . . . ?
Na1 Na2 C19 N2 -36.01(14) . . . . ?
N2 Na2 C19 C20 121.3(2) . . . . ?
N5 Na2 C19 C20 -146.34(16) . . . . ?
N1 Na2 C19 C20 70.86(18) . . . . ?
N6 Na2 C19 C20 -72.56(17) . . . . ?
C7 Na2 C19 C20 38.37(19) . . . . ?
C8 Na2 C19 C20 21.59(17) . . . . ?
Na1 Na2 C19 C20 85.28(16) . . . . ?
N2 Na2 C19 C24 -114.5(3) . . . . ?
N5 Na2 C19 C24 -22.1(2) . . . . ?
N1 Na2 C19 C24 -164.91(18) . . . . ?
N6 Na2 C19 C24 51.7(2) . . . . ?
C7 Na2 C19 C24 162.60(18) . . . . ?
C8 Na2 C19 C24 145.81(19) . . . . ?
Na1 Na2 C19 C24 -150.5(2) . . . . ?
N2 C19 C20 C21 172.5(2) . . . . ?
C24 C19 C20 C21 -1.7(4) . . . . ?
Na2 C19 C20 C21 122.7(2) . . . . ?
C19 C20 C21 C22 1.5(4) . . . . ?
C20 C21 C22 C23 -0.4(4) . . . . ?
C21 C22 C23 C24 -0.4(4) . . . . ?
C22 C23 C24 C19 0.1(4) . . . . ?
N2 C19 C24 C23 -172.9(2) . . . . ?
C20 C19 C24 C23 0.9(3) . . . . ?
Na2 C19 C24 C23 -113.6(2) . . . . ?
C26 N3 C25 Na1 -128.3(2) . . . . ?
C27 N3 C25 Na1 111.6(2) . . . . ?
N1 Na1 C25 N3 156.68(17) . . . . ?
N2 Na1 C25 N3 63.5(2) . . . . ?
N4 Na1 C25 N3 -76.38(16) . . . . ?
C13 Na1 C25 N3 12.1(4) . . . . ?
C14 Na1 C25 N3 -123.9(3) . . . . ?
Na2 Na1 C25 N3 124.62(15) . . . . ?
C26 N3 C27 C28 176.6(2) . . . . ?
C25 N3 C27 C28 -64.0(3) . . . . ?
Na1 N3 C27 C28 45.2(2) . . . . ?
C29 N4 C28 C27 -79.3(3) . . . . ?
C30 N4 C28 C27 161.1(2) . . . . ?
Na1 N4 C28 C27 37.7(3) . . . . ?
N3 C27 C28 N4 -60.2(3) . . . . ?
C31 N5 C33 C34 168.6(2) . . . . ?
C32 N5 C33 C34 -70.2(3) . . . . ?
Na2 N5 C33 C34 42.3(3) . . . . ?
C35 N6 C34 C33 -76.7(3) . . . . ?
C36 N6 C34 C33 164.5(2) . . . . ?
Na2 N6 C34 C33 40.8(3) . . . . ?
N5 C33 C34 N6 -60.2(3) . . . . ?
 
_diffrn_measured_fraction_theta_max    0.987
_diffrn_reflns_theta_full              24.00
_diffrn_measured_fraction_theta_full   0.987
_refine_diff_density_max    0.188
_refine_diff_density_min   -0.192
_refine_diff_density_rms    0.045

#===END