#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:38:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178609 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/20/4072054.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4072054
loop_
_publ_author_name
'Liu, Yanyan'
'Yang, Peiju'
'Yu, Jie'
'Yang, Xiao-Juan'
'Zhang, Jun D.'
'Chen, Zhongfang'
'Schaefer, Henry F.'
'Wu, Biao'
_publ_section_title
;
 Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5830
_journal_paper_doi               10.1021/om800554q
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C64 H100 N4 Na4 O2'
_chemical_formula_weight         1049.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.231(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.0908(17)
_cell_length_b                   11.0256(11)
_cell_length_c                   18.6460(19)
_cell_measurement_temperature    293(2)
_cell_volume                     3228.7(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART CCD Apex II'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0815
_diffrn_reflns_av_sigmaI/netI    0.1352
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19250
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7834
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.079
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.182
_refine_diff_density_min         -0.175
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         7658
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.934
_refine_ls_R_factor_all          0.2145
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0720P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1307
_refine_ls_wR_factor_ref         0.1840
_reflns_number_gt                2569
_reflns_number_total             7658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800554q_si_002.cif
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4072054
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'
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
Na1 Na 0.39022(7) 0.03981(12) 0.01699(6) 0.0587(4) Uani 1 1 d .
Na2 Na 0.42229(8) -0.06624(12) 0.19514(8) 0.0760(4) Uani 1 1 d .
N1 N 0.50572(14) 0.0499(2) 0.14418(12) 0.0459(6) Uani 1 1 d .
N2 N 0.33376(15) 0.0808(2) 0.11011(14) 0.0503(7) Uani 1 1 d .
O1 O 0.43181(19) -0.1924(4) 0.2971(2) 0.1208(11) Uani 1 1 d .
C1 C 0.47808(19) 0.1482(3) 0.17755(16) 0.0487(8) Uani 1 1 d .
C2 C 0.3936(2) 0.1625(3) 0.16182(17) 0.0529(8) Uani 1 1 d .
C3 C 0.5454(2) 0.2207(3) 0.24195(18) 0.0738(11) Uani 1 1 d .
H3A H 0.5336 0.2183 0.2882 0.111 Uiso 1 1 calc R
H3B H 0.5444 0.3034 0.2254 0.111 Uiso 1 1 calc R
H3C H 0.6005 0.1864 0.2529 0.111 Uiso 1 1 calc R
C4 C 0.3632(2) 0.2442(3) 0.2110(2) 0.0785(11) Uani 1 1 d .
H4A H 0.4029 0.2407 0.2645 0.118 Uiso 1 1 calc R
H4B H 0.3082 0.2175 0.2073 0.118 Uiso 1 1 calc R
H4C H 0.3591 0.3261 0.1924 0.118 Uiso 1 1 calc R
C5 C 0.58386(17) 0.0535(3) 0.13744(15) 0.0432(7) Uani 1 1 d .
C6 C 0.64026(18) -0.0477(3) 0.16572(15) 0.0476(8) Uani 1 1 d .
C7 C 0.71568(19) -0.0520(3) 0.15424(17) 0.0574(9) Uani 1 1 d .
H7A H 0.7510 -0.1192 0.1722 0.069 Uiso 1 1 calc R
C8 C 0.7402(2) 0.0394(3) 0.11730(18) 0.0604(9) Uani 1 1 d .
H8A H 0.7908 0.0343 0.1100 0.073 Uiso 1 1 calc R
C9 C 0.68756(19) 0.1388(3) 0.09141(16) 0.0563(9) Uani 1 1 d .
H9A H 0.7043 0.2020 0.0676 0.068 Uiso 1 1 calc R
C10 C 0.61001(18) 0.1479(3) 0.09972(16) 0.0475(8) Uani 1 1 d .
C11 C 0.25094(19) 0.1137(3) 0.06367(17) 0.0484(8) Uani 1 1 d .
C12 C 0.1883(2) 0.0198(3) 0.04302(19) 0.0558(9) Uani 1 1 d .
C13 C 0.1048(2) 0.0432(4) -0.0064(2) 0.0742(11) Uani 1 1 d .
H13A H 0.0652 -0.0195 -0.0189 0.089 Uiso 1 1 calc R
C14 C 0.0790(2) 0.1553(5) -0.0375(2) 0.0828(12) Uani 1 1 d .
H14A H 0.0223 0.1695 -0.0699 0.099 Uiso 1 1 calc R
C15 C 0.1381(2) 0.2472(4) -0.0200(2) 0.0736(10) Uani 1 1 d .
H15A H 0.1205 0.3234 -0.0417 0.088 Uiso 1 1 calc R
C16 C 0.2233(2) 0.2305(3) 0.02901(18) 0.0580(9) Uani 1 1 d .
C17 C 0.6203(2) -0.1449(3) 0.21371(17) 0.0620(9) Uani 1 1 d .
H17A H 0.5588 -0.1591 0.1897 0.074 Uiso 1 1 calc R
C18 C 0.6636(2) -0.2671(3) 0.2174(2) 0.0849(12) Uani 1 1 d .
H18A H 0.6505 -0.2961 0.1654 0.127 Uiso 1 1 calc R
H18B H 0.6433 -0.3242 0.2449 0.127 Uiso 1 1 calc R
H18C H 0.7241 -0.2579 0.2441 0.127 Uiso 1 1 calc R
C19 C 0.6410(2) -0.0979(3) 0.29681(19) 0.0890(13) Uani 1 1 d .
H19A H 0.6137 -0.0210 0.2942 0.134 Uiso 1 1 calc R
H19B H 0.7015 -0.0886 0.3237 0.134 Uiso 1 1 calc R
H19C H 0.6207 -0.1549 0.3245 0.134 Uiso 1 1 calc R
C20 C 0.5534(2) 0.2560(3) 0.06299(18) 0.0591(9) Uani 1 1 d .
H20A H 0.5021 0.2485 0.0741 0.071 Uiso 1 1 calc R
C21 C 0.5251(2) 0.2563(3) -0.02609(19) 0.0862(12) Uani 1 1 d .
H21A H 0.4991 0.1800 -0.0469 0.129 Uiso 1 1 calc R
H21B H 0.5738 0.2687 -0.0388 0.129 Uiso 1 1 calc R
H21C H 0.4848 0.3205 -0.0483 0.129 Uiso 1 1 calc R
C22 C 0.5949(2) 0.3785(3) 0.0957(2) 0.0956(13) Uani 1 1 d .
H22A H 0.6127 0.3788 0.1514 0.143 Uiso 1 1 calc R
H22B H 0.5545 0.4425 0.0734 0.143 Uiso 1 1 calc R
H22C H 0.6434 0.3907 0.0829 0.143 Uiso 1 1 calc R
C23 C 0.2141(2) -0.1050(3) 0.0781(2) 0.0746(11) Uani 1 1 d .
H23A H 0.2725 -0.1190 0.0826 0.090 Uiso 1 1 calc R
C24 C 0.2161(3) -0.1074(4) 0.1605(3) 0.1127(16) Uani 1 1 d .
H24A H 0.2504 -0.0415 0.1902 0.169 Uiso 1 1 calc R
H24B H 0.2399 -0.1829 0.1851 0.169 Uiso 1 1 calc R
H24C H 0.1592 -0.0993 0.1582 0.169 Uiso 1 1 calc R
C25 C 0.1594(3) -0.2097(4) 0.0296(3) 0.1207(17) Uani 1 1 d .
H25A H 0.1587 -0.2071 -0.0221 0.181 Uiso 1 1 calc R
H25B H 0.1024 -0.2019 0.0268 0.181 Uiso 1 1 calc R
H25C H 0.1830 -0.2856 0.0537 0.181 Uiso 1 1 calc R
C26 C 0.2848(2) 0.3337(3) 0.0333(2) 0.0690(10) Uani 1 1 d .
H26A H 0.3396 0.3156 0.0759 0.083 Uiso 1 1 calc R
C27 C 0.2549(3) 0.4599(3) 0.0494(3) 0.1190(16) Uani 1 1 d .
H27A H 0.2962 0.5201 0.0513 0.178 Uiso 1 1 calc R
H27B H 0.2488 0.4581 0.0984 0.178 Uiso 1 1 calc R
H27C H 0.2011 0.4795 0.0084 0.178 Uiso 1 1 calc R
C28 C 0.2990(3) 0.3399(4) -0.0420(2) 0.0980(13) Uani 1 1 d .
H28A H 0.3176 0.2622 -0.0525 0.147 Uiso 1 1 calc R
H28B H 0.3418 0.3997 -0.0370 0.147 Uiso 1 1 calc R
H28C H 0.2468 0.3619 -0.0843 0.147 Uiso 1 1 calc R
C29 C 0.4379(5) -0.1420(8) 0.3705(4) 0.202(4) Uani 1 1 d .
H29A H 0.3889 -0.1674 0.3807 0.243 Uiso 1 1 calc R
H29B H 0.4886 -0.1731 0.4121 0.243 Uiso 1 1 calc R
C30 C 0.4414(5) -0.0140(8) 0.3702(4) 0.207(4) Uani 1 1 d .
H30A H 0.4453 0.0166 0.4197 0.310 Uiso 1 1 calc R
H30B H 0.3908 0.0171 0.3296 0.310 Uiso 1 1 calc R
H30D H 0.4904 0.0114 0.3611 0.310 Uiso 1 1 calc R
C31 C 0.4319(6) -0.3177(8) 0.2987(6) 0.228(5) Uani 1 1 d .
H31A H 0.4829 -0.3448 0.3418 0.273 Uiso 1 1 calc R
H31B H 0.3833 -0.3449 0.3089 0.273 Uiso 1 1 calc R
C32 C 0.4290(7) -0.3717(8) 0.2312(6) 0.264(6) Uani 1 1 d .
H32C H 0.4293 -0.4583 0.2369 0.396 Uiso 1 1 calc R
H32D H 0.4776 -0.3472 0.2213 0.396 Uiso 1 1 calc R
H32A H 0.3779 -0.3473 0.1884 0.396 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N2 Na1 N1 71.28(9) . .
N2 Na1 C8 108.25(10) . 3_655
N1 Na1 C8 163.92(11) . 3_655
N2 Na1 C9 117.45(10) . 3_655
N1 Na1 C9 136.30(11) . 3_655
C8 Na1 C9 28.94(9) 3_655 3_655
N2 Na1 C11 27.32(8) . .
N1 Na1 C11 98.01(9) . .
C8 Na1 C11 84.17(9) 3_655 .
C9 Na1 C11 101.62(10) 3_655 .
N2 Na1 C7 122.08(9) . 3_655
N1 Na1 C7 164.26(10) . 3_655
C8 Na1 C7 27.33(8) 3_655 3_655
C9 Na1 C7 48.36(10) 3_655 3_655
C11 Na1 C7 94.79(9) . 3_655
N2 Na1 C2 27.38(8) . .
N1 Na1 C2 51.51(8) . .
C8 Na1 C2 133.01(10) 3_655 .
C9 Na1 C2 144.47(10) 3_655 .
C11 Na1 C2 48.85(8) . .
C7 Na1 C2 136.87(9) 3_655 .
N2 Na1 C10 142.02(9) . 3_655
N1 Na1 C10 120.68(9) . 3_655
C8 Na1 C10 49.73(9) 3_655 3_655
C9 Na1 C10 27.67(7) 3_655 3_655
C11 Na1 C10 129.28(9) . 3_655
C7 Na1 C10 55.21(9) 3_655 3_655
C2 Na1 C10 163.19(9) . 3_655
N2 Na1 C1 51.42(8) . .
N1 Na1 C1 27.57(8) . .
C8 Na1 C1 159.19(10) 3_655 .
C9 Na1 C1 156.53(10) 3_655 .
C11 Na1 C1 75.03(8) . .
C7 Na1 C1 153.80(10) 3_655 .
C2 Na1 C1 26.21(7) . .
C10 Na1 C1 148.25(9) 3_655 .
N2 Na1 Na2 44.50(7) . .
N1 Na1 Na2 45.05(6) . .
C8 Na1 Na2 123.13(9) 3_655 .
C9 Na1 Na2 108.65(8) 3_655 .
C11 Na1 Na2 68.92(7) . .
C7 Na1 Na2 150.09(8) 3_655 .
C2 Na1 Na2 47.83(7) . .
C10 Na1 Na2 115.48(7) 3_655 .
C1 Na1 Na2 48.14(6) . .
N2 Na1 Na1 144.98(8) . 3_655
N1 Na1 Na1 73.80(6) . 3_655
C8 Na1 Na1 104.52(8) 3_655 3_655
C9 Na1 Na1 86.59(7) 3_655 3_655
C11 Na1 Na1 171.30(8) . 3_655
C7 Na1 Na1 92.85(7) 3_655 3_655
C2 Na1 Na1 122.46(8) . 3_655
C10 Na1 Na1 58.99(6) 3_655 3_655
C1 Na1 Na1 96.29(7) . 3_655
Na2 Na1 Na1 105.88(5) . 3_655
O1 Na2 N2 141.94(12) . .
O1 Na2 N1 142.70(11) . .
N2 Na2 N1 71.76(8) . .
O1 Na2 C2 136.65(14) . .
N2 Na2 C2 32.81(8) . .
N1 Na2 C2 57.82(9) . .
O1 Na2 C1 137.42(13) . .
N2 Na2 C1 57.50(9) . .
N1 Na2 C1 32.58(8) . .
C2 Na2 C1 30.33(9) . .
O1 Na2 Na1 162.88(13) . .
N2 Na2 Na1 44.17(6) . .
N1 Na2 Na1 46.04(6) . .
C2 Na2 Na1 58.89(7) . .
C1 Na2 Na1 59.12(7) . .
C5 N1 C1 121.0(2) . .
C5 N1 Na2 143.2(2) . .
C1 N1 Na2 83.11(16) . .
C5 N1 Na1 110.76(16) . .
C1 N1 Na1 100.44(16) . .
Na2 N1 Na1 88.90(9) . .
C11 N2 C2 122.9(3) . .
C11 N2 Na1 101.87(17) . .
C2 N2 Na1 103.26(17) . .
C11 N2 Na2 146.0(2) . .
C2 N2 Na2 83.11(17) . .
Na1 N2 Na2 91.33(9) . .
C31 O1 C29 111.4(6) . .
C31 O1 Na2 128.3(5) . .
C29 O1 Na2 120.3(4) . .
C2 C1 N1 120.1(3) . .
C2 C1 C3 121.0(3) . .
N1 C1 C3 117.9(3) . .
C2 C1 Na2 74.01(19) . .
N1 C1 Na2 64.31(15) . .
C3 C1 Na2 125.1(2) . .
C2 C1 Na1 76.24(17) . .
N1 C1 Na1 51.99(13) . .
C3 C1 Na1 156.5(2) . .
Na2 C1 Na1 72.74(8) . .
C1 C2 N2 119.4(3) . .
C1 C2 C4 121.7(3) . .
N2 C2 C4 117.5(3) . .
C1 C2 Na2 75.66(19) . .
N2 C2 Na2 64.09(15) . .
C4 C2 Na2 120.6(2) . .
C1 C2 Na1 77.55(16) . .
N2 C2 Na1 49.36(13) . .
C4 C2 Na1 157.3(2) . .
Na2 C2 Na1 73.28(8) . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N1 C5 C10 124.5(3) . .
N1 C5 C6 118.4(3) . .
C10 C5 C6 117.0(3) . .
C7 C6 C5 120.1(3) . .
C7 C6 C17 120.3(3) . .
C5 C6 C17 119.5(3) . .
C8 C7 C6 122.4(3) . .
C8 C7 Na1 66.90(17) . 3_655
C6 C7 Na1 87.44(17) . 3_655
C8 C7 H7A 118.8 . .
C6 C7 H7A 118.8 . .
Na1 C7 H7A 117.0 3_655 .
C7 C8 C9 118.2(3) . .
C7 C8 Na1 85.76(18) . 3_655
C9 C8 Na1 75.63(18) . 3_655
C7 C8 H8A 120.9 . .
C9 C8 H8A 120.9 . .
Na1 C8 H8A 108.3 3_655 .
C8 C9 C10 122.3(3) . .
C8 C9 Na1 75.43(18) . 3_655
C10 C9 Na1 85.91(17) . 3_655
C8 C9 H9A 118.8 . .
C10 C9 H9A 118.8 . .
Na1 C9 H9A 109.6 3_655 .
C9 C10 C5 119.9(3) . .
C9 C10 C20 118.1(3) . .
C5 C10 C20 121.9(3) . .
C9 C10 Na1 66.43(16) . 3_655
C5 C10 Na1 86.75(17) . 3_655
C20 C10 Na1 113.33(17) . 3_655
N2 C11 C12 116.8(3) . .
N2 C11 C16 126.2(3) . .
C12 C11 C16 116.8(3) . .
N2 C11 Na1 50.82(13) . .
C12 C11 Na1 109.04(19) . .
C16 C11 Na1 105.97(18) . .
C13 C12 C11 120.7(3) . .
C13 C12 C23 120.4(3) . .
C11 C12 C23 118.9(3) . .
C14 C13 C12 121.9(4) . .
C14 C13 H13A 119.1 . .
C12 C13 H13A 119.1 . .
C13 C14 C15 118.8(4) . .
C13 C14 H14A 120.6 . .
C15 C14 H14A 120.6 . .
C14 C15 C16 122.6(4) . .
C14 C15 H15A 118.7 . .
C16 C15 H15A 118.7 . .
C15 C16 C11 119.2(3) . .
C15 C16 C26 117.1(3) . .
C11 C16 C26 123.1(3) . .
C6 C17 C18 115.7(3) . .
C6 C17 C19 109.9(3) . .
C18 C17 C19 109.7(3) . .
C6 C17 H17A 107.0 . .
C18 C17 H17A 107.0 . .
C19 C17 H17A 107.0 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C10 C20 C22 113.5(3) . .
C10 C20 C21 111.2(3) . .
C22 C20 C21 109.1(3) . .
C10 C20 H20A 107.6 . .
C22 C20 H20A 107.6 . .
C21 C20 H20A 107.6 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C12 C23 C24 109.8(3) . .
C12 C23 C25 115.1(3) . .
C24 C23 C25 110.3(3) . .
C12 C23 H23A 107.1 . .
C24 C23 H23A 107.1 . .
C25 C23 H23A 107.1 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C28 C26 C16 110.1(3) . .
C28 C26 C27 108.9(3) . .
C16 C26 C27 113.8(3) . .
C28 C26 H26A 108.0 . .
C16 C26 H26A 108.0 . .
C27 C26 H26A 108.0 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 O1 111.6(6) . .
C30 C29 H29A 109.3 . .
O1 C29 H29A 109.3 . .
C30 C29 H29B 109.3 . .
O1 C29 H29B 109.3 . .
H29A C29 H29B 108.0 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30D 109.5 . .
H30A C30 H30D 109.5 . .
H30B C30 H30D 109.5 . .
C32 C31 O1 114.4(8) . .
C32 C31 H31A 108.7 . .
O1 C31 H31A 108.7 . .
C32 C31 H31B 108.7 . .
O1 C31 H31B 108.7 . .
H31A C31 H31B 107.6 . .
C31 C32 H32C 109.5 . .
C31 C32 H32D 109.5 . .
H32C C32 H32D 109.5 . .
C31 C32 H32A 109.5 . .
H32C C32 H32A 109.5 . .
H32D C32 H32A 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na1 N2 2.339(2) .
Na1 N1 2.417(2) .
Na1 C8 2.756(3) 3_655
Na1 C9 2.758(3) 3_655
Na1 C11 2.953(3) .
Na1 C7 2.988(3) 3_655
Na1 C2 3.001(3) .
Na1 C10 3.002(3) 3_655
Na1 C1 3.017(3) .
Na1 Na2 3.3565(16) .
Na1 Na1 4.139(2) 3_655
Na2 O1 2.309(3) .
Na2 N2 2.353(3) .
Na2 N1 2.376(3) .
Na2 C2 2.597(3) .
Na2 C1 2.618(3) .
N1 C5 1.390(3) .
N1 C1 1.420(3) .
N2 C11 1.385(3) .
N2 C2 1.418(4) .
O1 C31 1.382(8) .
O1 C29 1.442(8) .
C1 C2 1.364(4) .
C1 C3 1.521(4) .
C2 C4 1.517(4) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C10 1.423(4) .
C5 C6 1.432(4) .
C6 C7 1.388(4) .
C6 C17 1.518(4) .
C7 C8 1.376(4) .
C7 Na1 2.988(3) 3_655
C7 H7A 0.9300 .
C8 C9 1.378(4) .
C8 Na1 2.756(3) 3_655
C8 H8A 0.9300 .
C9 C10 1.398(4) .
C9 Na1 2.758(3) 3_655
C9 H9A 0.9300 .
C10 C20 1.518(4) .
C10 Na1 3.002(3) 3_655
C11 C12 1.429(4) .
C11 C16 1.434(4) .
C12 C13 1.384(4) .
C12 C23 1.513(5) .
C13 C14 1.362(5) .
C13 H13A 0.9300 .
C14 C15 1.377(5) .
C14 H14A 0.9300 .
C15 C16 1.393(4) .
C15 H15A 0.9300 .
C16 C26 1.530(4) .
C17 C18 1.525(4) .
C17 C19 1.537(4) .
C17 H17A 0.9800 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C22 1.536(4) .
C20 C21 1.536(4) .
C20 H20A 0.9800 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.524(5) .
C23 C25 1.535(5) .
C23 H23A 0.9800 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C28 1.518(4) .
C26 C27 1.553(4) .
C26 H26A 0.9800 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.414(9) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30D 0.9600 .
C31 C32 1.375(10) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32C 0.9600 .
C32 H32D 0.9600 .
C32 H32A 0.9600 .
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_4
N2 Na1 Na2 O1 119.8(3) . .
N1 Na1 Na2 O1 -128.6(3) . .
C8 Na1 Na2 O1 37.3(4) 3_655 .
C9 Na1 Na2 O1 9.3(3) 3_655 .
C11 Na1 Na2 O1 104.9(3) . .
C7 Na1 Na2 O1 44.2(4) 3_655 .
C2 Na1 Na2 O1 157.8(3) . .
C10 Na1 Na2 O1 -19.7(3) 3_655 .
C1 Na1 Na2 O1 -166.6(3) . .
Na1 Na1 Na2 O1 -82.5(3) 3_655 .
N1 Na1 Na2 N2 111.64(13) . .
C8 Na1 Na2 N2 -82.49(13) 3_655 .
C9 Na1 Na2 N2 -110.52(12) 3_655 .
C11 Na1 Na2 N2 -14.92(11) . .
C7 Na1 Na2 N2 -75.56(18) 3_655 .
C2 Na1 Na2 N2 38.03(11) . .
C10 Na1 Na2 N2 -139.53(12) 3_655 .
C1 Na1 Na2 N2 73.57(12) . .
Na1 Na1 Na2 N2 157.71(10) 3_655 .
N2 Na1 Na2 N1 -111.64(13) . .
C8 Na1 Na2 N1 165.87(13) 3_655 .
C9 Na1 Na2 N1 137.84(12) 3_655 .
C11 Na1 Na2 N1 -126.56(11) . .
C7 Na1 Na2 N1 172.80(18) 3_655 .
C2 Na1 Na2 N1 -73.61(12) . .
C10 Na1 Na2 N1 108.83(11) 3_655 .
C1 Na1 Na2 N1 -38.07(10) . .
Na1 Na1 Na2 N1 46.08(9) 3_655 .
N2 Na1 Na2 C2 -38.03(11) . .
N1 Na1 Na2 C2 73.61(12) . .
C8 Na1 Na2 C2 -120.52(13) 3_655 .
C9 Na1 Na2 C2 -148.56(12) 3_655 .
C11 Na1 Na2 C2 -52.96(11) . .
C7 Na1 Na2 C2 -113.60(17) 3_655 .
C10 Na1 Na2 C2 -177.56(11) 3_655 .
C1 Na1 Na2 C2 35.54(10) . .
Na1 Na1 Na2 C2 119.68(10) 3_655 .
N2 Na1 Na2 C1 -73.57(12) . .
N1 Na1 Na2 C1 38.07(10) . .
C8 Na1 Na2 C1 -156.06(13) 3_655 .
C9 Na1 Na2 C1 175.90(11) 3_655 .
C11 Na1 Na2 C1 -88.49(10) . .
C7 Na1 Na2 C1 -149.13(17) 3_655 .
C2 Na1 Na2 C1 -35.54(10) . .
C10 Na1 Na2 C1 146.90(11) 3_655 .
Na1 Na1 Na2 C1 84.14(9) 3_655 .
O1 Na2 N1 C5 33.2(4) . .
N2 Na2 N1 C5 -167.5(3) . .
C2 Na2 N1 C5 159.5(3) . .
C1 Na2 N1 C5 134.8(4) . .
Na1 Na2 N1 C5 -124.5(3) . .
O1 Na2 N1 C1 -101.7(3) . .
N2 Na2 N1 C1 57.66(15) . .
C2 Na2 N1 C1 24.62(15) . .
Na1 Na2 N1 C1 100.65(16) . .
O1 Na2 N1 Na1 157.7(2) . .
N2 Na2 N1 Na1 -42.99(8) . .
C2 Na2 N1 Na1 -76.04(10) . .
C1 Na2 N1 Na1 -100.65(16) . .
N2 Na1 N1 C5 -168.4(2) . .
C8 Na1 N1 C5 100.6(4) 3_655 .
C9 Na1 N1 C5 81.1(2) 3_655 .
C11 Na1 N1 C5 -162.67(19) . .
C7 Na1 N1 C5 -18.5(5) 3_655 .
C2 Na1 N1 C5 -146.6(2) . .
C10 Na1 N1 C5 51.6(2) 3_655 .
C1 Na1 N1 C5 -129.1(3) . .
Na2 Na1 N1 C5 148.1(2) . .
Na1 Na1 N1 C5 14.32(18) 3_655 .
N2 Na1 N1 C1 -39.33(17) . .
C8 Na1 N1 C1 -130.4(3) 3_655 .
C9 Na1 N1 C1 -149.81(17) 3_655 .
C11 Na1 N1 C1 -33.60(18) . .
C7 Na1 N1 C1 110.5(4) 3_655 .
C2 Na1 N1 C1 -17.52(16) . .
C10 Na1 N1 C1 -179.38(16) 3_655 .
Na2 Na1 N1 C1 -82.79(17) . .
Na1 Na1 N1 C1 143.38(17) 3_655 .
N2 Na1 N1 Na2 43.47(8) . .
C8 Na1 N1 Na2 -47.6(4) 3_655 .
C9 Na1 N1 Na2 -67.01(14) 3_655 .
C11 Na1 N1 Na2 49.19(10) . .
C7 Na1 N1 Na2 -166.7(3) 3_655 .
C2 Na1 N1 Na2 65.28(10) . .
C10 Na1 N1 Na2 -96.59(10) 3_655 .
C1 Na1 N1 Na2 82.79(17) . .
Na1 Na1 N1 Na2 -133.83(8) 3_655 .
N1 Na1 N2 C11 167.6(2) . .
C8 Na1 N2 C11 -29.4(2) 3_655 .
C9 Na1 N2 C11 -59.3(2) 3_655 .
C7 Na1 N2 C11 -3.2(2) 3_655 .
C2 Na1 N2 C11 128.3(3) . .
C10 Na1 N2 C11 -76.2(2) 3_655 .
C1 Na1 N2 C11 145.5(2) . .
Na2 Na1 N2 C11 -148.4(2) . .
Na1 Na1 N2 C11 172.10(17) 3_655 .
N1 Na1 N2 C2 39.23(18) . .
C8 Na1 N2 C2 -157.72(19) 3_655 .
C9 Na1 N2 C2 172.41(18) 3_655 .
C11 Na1 N2 C2 -128.3(3) . .
C7 Na1 N2 C2 -131.52(19) 3_655 .
C10 Na1 N2 C2 155.42(18) 3_655 .
C1 Na1 N2 C2 17.19(17) . .
Na2 Na1 N2 C2 83.23(19) . .
Na1 Na1 N2 C2 43.8(3) 3_655 .
N1 Na1 N2 Na2 -44.00(9) . .
C8 Na1 N2 Na2 119.05(11) 3_655 .
C9 Na1 N2 Na2 89.18(12) 3_655 .
C11 Na1 N2 Na2 148.4(2) . .
C7 Na1 N2 Na2 145.25(11) 3_655 .
C2 Na1 N2 Na2 -83.23(19) . .
C10 Na1 N2 Na2 72.19(16) 3_655 .
C1 Na1 N2 Na2 -66.04(10) . .
Na1 Na1 N2 Na2 -39.47(17) 3_655 .
O1 Na2 N2 C11 -41.8(4) . .
N1 Na2 N2 C11 158.5(4) . .
C2 Na2 N2 C11 -143.1(4) . .
C1 Na2 N2 C11 -168.9(4) . .
Na1 Na2 N2 C11 113.7(4) . .
O1 Na2 N2 C2 101.3(2) . .
N1 Na2 N2 C2 -58.41(15) . .
C1 Na2 N2 C2 -25.76(14) . .
Na1 Na2 N2 C2 -103.20(16) . .
O1 Na2 N2 Na1 -155.5(2) . .
N1 Na2 N2 Na1 44.79(8) . .
C2 Na2 N2 Na1 103.20(16) . .
C1 Na2 N2 Na1 77.43(10) . .
N2 Na2 O1 C31 115.8(6) . .
N1 Na2 O1 C31 -97.1(6) . .
C2 Na2 O1 C31 166.5(5) . .
C1 Na2 O1 C31 -148.3(5) . .
Na1 Na2 O1 C31 14.6(7) . .
N2 Na2 O1 C29 -63.6(5) . .
N1 Na2 O1 C29 83.5(5) . .
C2 Na2 O1 C29 -12.8(5) . .
C1 Na2 O1 C29 32.3(5) . .
Na1 Na2 O1 C29 -164.7(4) . .
C5 N1 C1 C2 158.9(3) . .
Na2 N1 C1 C2 -50.8(3) . .
Na1 N1 C1 C2 36.8(3) . .
C5 N1 C1 C3 -32.4(4) . .
Na2 N1 C1 C3 117.9(3) . .
Na1 N1 C1 C3 -154.5(2) . .
C5 N1 C1 Na2 -150.3(2) . .
Na1 N1 C1 Na2 87.60(10) . .
C5 N1 C1 Na1 122.1(3) . .
Na2 N1 C1 Na1 -87.60(10) . .
O1 Na2 C1 C2 -105.6(2) . .
N2 Na2 C1 C2 27.80(15) . .
N1 Na2 C1 C2 135.7(2) . .
Na1 Na2 C1 C2 80.21(16) . .
O1 Na2 C1 N1 118.7(2) . .
N2 Na2 C1 N1 -107.93(16) . .
C2 Na2 C1 N1 -135.7(2) . .
Na1 Na2 C1 N1 -55.52(13) . .
O1 Na2 C1 C3 11.4(3) . .
N2 Na2 C1 C3 144.8(3) . .
N1 Na2 C1 C3 -107.3(3) . .
C2 Na2 C1 C3 117.0(3) . .
Na1 Na2 C1 C3 -162.8(3) . .
O1 Na2 C1 Na1 174.23(16) . .
N2 Na2 C1 Na1 -52.41(8) . .
N1 Na2 C1 Na1 55.52(13) . .
C2 Na2 C1 Na1 -80.21(16) . .
N2 Na1 C1 C2 -17.92(17) . .
N1 Na1 C1 C2 -147.8(3) . .
C8 Na1 C1 C2 -4.2(4) 3_655 .
C9 Na1 C1 C2 -87.0(3) 3_655 .
C11 Na1 C1 C2 -2.33(18) . .
C7 Na1 C1 C2 67.3(3) 3_655 .
C10 Na1 C1 C2 -146.7(2) 3_655 .
Na2 Na1 C1 C2 -77.24(18) . .
Na1 Na1 C1 C2 177.04(18) 3_655 .
N2 Na1 C1 N1 129.8(2) . .
C8 Na1 C1 N1 143.6(3) 3_655 .
C9 Na1 C1 N1 60.7(3) 3_655 .
C11 Na1 C1 N1 145.44(18) . .
C7 Na1 C1 N1 -144.9(2) 3_655 .
C2 Na1 C1 N1 147.8(3) . .
C10 Na1 C1 N1 1.0(3) 3_655 .
Na2 Na1 C1 N1 70.53(16) . .
Na1 Na1 C1 N1 -35.19(16) 3_655 .
N2 Na1 C1 C3 -157.9(6) . .
N1 Na1 C1 C3 72.2(5) . .
C8 Na1 C1 C3 -144.2(5) 3_655 .
C9 Na1 C1 C3 133.0(5) 3_655 .
C11 Na1 C1 C3 -142.3(6) . .
C7 Na1 C1 C3 -72.7(6) 3_655 .
C2 Na1 C1 C3 -140.0(6) . .
C10 Na1 C1 C3 73.2(6) 3_655 .
Na2 Na1 C1 C3 142.7(6) . .
Na1 Na1 C1 C3 37.0(6) 3_655 .
N2 Na1 C1 Na2 59.32(9) . .
N1 Na1 C1 Na2 -70.53(16) . .
C8 Na1 C1 Na2 73.0(3) 3_655 .
C9 Na1 C1 Na2 -9.8(3) 3_655 .
C11 Na1 C1 Na2 74.91(9) . .
C7 Na1 C1 Na2 144.59(19) 3_655 .
C2 Na1 C1 Na2 77.24(18) . .
C10 Na1 C1 Na2 -69.51(18) 3_655 .
Na1 Na1 C1 Na2 -105.72(7) 3_655 .
N1 C1 C2 N2 -1.9(4) . .
C3 C1 C2 N2 -170.3(3) . .
Na2 C1 C2 N2 -48.6(2) . .
Na1 C1 C2 N2 27.1(2) . .
N1 C1 C2 C4 164.0(3) . .
C3 C1 C2 C4 -4.3(5) . .
Na2 C1 C2 C4 117.4(3) . .
Na1 C1 C2 C4 -166.9(3) . .
N1 C1 C2 Na2 46.6(2) . .
C3 C1 C2 Na2 -121.7(3) . .
Na1 C1 C2 Na2 75.67(7) . .
N1 C1 C2 Na1 -29.0(2) . .
C3 C1 C2 Na1 162.6(3) . .
Na2 C1 C2 Na1 -75.67(7) . .
C11 N2 C2 C1 -149.8(3) . .
Na1 N2 C2 C1 -35.9(3) . .
Na2 N2 C2 C1 53.8(3) . .
C11 N2 C2 C4 43.7(4) . .
Na1 N2 C2 C4 157.6(2) . .
Na2 N2 C2 C4 -112.7(3) . .
C11 N2 C2 Na2 156.4(3) . .
Na1 N2 C2 Na2 -89.75(11) . .
C11 N2 C2 Na1 -113.9(3) . .
Na2 N2 C2 Na1 89.75(11) . .
O1 Na2 C2 C1 108.3(2) . .
N2 Na2 C2 C1 -133.5(2) . .
N1 Na2 C2 C1 -26.37(15) . .
Na1 Na2 C2 C1 -81.05(16) . .
O1 Na2 C2 N2 -118.28(19) . .
N1 Na2 C2 N2 107.08(16) . .
C1 Na2 C2 N2 133.5(2) . .
Na1 Na2 C2 N2 52.40(13) . .
O1 Na2 C2 C4 -10.3(3) . .
N2 Na2 C2 C4 108.0(3) . .
N1 Na2 C2 C4 -144.9(3) . .
C1 Na2 C2 C4 -118.6(3) . .
Na1 Na2 C2 C4 160.4(3) . .
O1 Na2 C2 Na1 -170.68(15) . .
N2 Na2 C2 Na1 -52.40(13) . .
N1 Na2 C2 Na1 54.68(7) . .
C1 Na2 C2 Na1 81.05(16) . .
N2 Na1 C2 C1 148.5(3) . .
N1 Na1 C2 C1 18.39(17) . .
C8 Na1 C2 C1 177.96(19) 3_655 .
C9 Na1 C2 C1 136.8(2) 3_655 .
C11 Na1 C2 C1 177.0(2) . .
C7 Na1 C2 C1 -143.41(19) 3_655 .
C10 Na1 C2 C1 86.2(4) 3_655 .
Na2 Na1 C2 C1 78.55(18) . .
Na1 Na1 C2 C1 -3.5(2) 3_655 .
N1 Na1 C2 N2 -130.1(2) . .
C8 Na1 C2 N2 29.5(2) 3_655 .
C9 Na1 C2 N2 -11.6(3) 3_655 .
C11 Na1 C2 N2 28.56(17) . .
C7 Na1 C2 N2 68.1(2) 3_655 .
C10 Na1 C2 N2 -62.3(4) 3_655 .
C1 Na1 C2 N2 -148.5(3) . .
Na2 Na1 C2 N2 -69.91(17) . .
Na1 Na1 C2 N2 -151.94(17) 3_655 .
N2 Na1 C2 C4 -61.5(6) . .
N1 Na1 C2 C4 168.4(6) . .
C8 Na1 C2 C4 -32.0(6) 3_655 .
C9 Na1 C2 C4 -73.1(6) 3_655 .
C11 Na1 C2 C4 -32.9(6) . .
C7 Na1 C2 C4 6.6(7) 3_655 .
C10 Na1 C2 C4 -123.8(6) 3_655 .
C1 Na1 C2 C4 150.0(7) . .
Na2 Na1 C2 C4 -131.4(6) . .
Na1 Na1 C2 C4 146.6(6) 3_655 .
N2 Na1 C2 Na2 69.91(17) . .
N1 Na1 C2 Na2 -60.16(9) . .
C8 Na1 C2 Na2 99.41(15) 3_655 .
C9 Na1 C2 Na2 58.27(19) 3_655 .
C11 Na1 C2 Na2 98.47(12) . .
C7 Na1 C2 Na2 138.05(13) 3_655 .
C10 Na1 C2 Na2 7.6(3) 3_655 .
C1 Na1 C2 Na2 -78.55(18) . .
Na1 Na1 C2 Na2 -82.03(9) 3_655 .
C1 N1 C5 C10 -54.6(4) . .
Na2 N1 C5 C10 -179.4(2) . .
Na1 N1 C5 C10 62.4(3) . .
C1 N1 C5 C6 129.5(3) . .
Na2 N1 C5 C6 4.8(4) . .
Na1 N1 C5 C6 -113.5(2) . .
N1 C5 C6 C7 174.7(2) . .
C10 C5 C6 C7 -1.5(4) . .
N1 C5 C6 C17 -10.1(4) . .
C10 C5 C6 C17 173.8(2) . .
C5 C6 C7 C8 1.2(4) . .
C17 C6 C7 C8 -174.0(3) . .
C5 C6 C7 Na1 -59.2(2) . 3_655
C17 C6 C7 Na1 125.6(2) . 3_655
C6 C7 C8 C9 0.4(4) . .
Na1 C7 C8 C9 71.2(2) 3_655 .
C6 C7 C8 Na1 -70.8(3) . 3_655
C7 C8 C9 C10 -1.6(4) . .
Na1 C8 C9 C10 75.4(3) 3_655 .
C7 C8 C9 Na1 -77.1(3) . 3_655
C8 C9 C10 C5 1.3(4) . .
Na1 C9 C10 C5 71.2(2) 3_655 .
C8 C9 C10 C20 -174.8(3) . .
Na1 C9 C10 C20 -104.9(2) 3_655 .
C8 C9 C10 Na1 -69.9(3) . 3_655
N1 C5 C10 C9 -175.6(2) . .
C6 C5 C10 C9 0.3(4) . .
N1 C5 C10 C20 0.3(4) . .
C6 C5 C10 C20 176.2(2) . .
N1 C5 C10 Na1 -115.3(2) . 3_655
C6 C5 C10 Na1 60.6(2) . 3_655
C2 N2 C11 C12 -152.0(3) . .
Na1 N2 C11 C12 93.4(2) . .
Na2 N2 C11 C12 -17.3(5) . .
C2 N2 C11 C16 33.6(4) . .
Na1 N2 C11 C16 -81.0(3) . .
Na2 N2 C11 C16 168.3(2) . .
C2 N2 C11 Na1 114.5(3) . .
Na2 N2 C11 Na1 -110.7(3) . .
N1 Na1 C11 N2 -11.88(19) . .
C8 Na1 C11 N2 152.1(2) 3_655 .
C9 Na1 C11 N2 128.87(19) 3_655 .
C7 Na1 C11 N2 177.30(19) 3_655 .
C2 Na1 C11 N2 -28.62(17) . .
C10 Na1 C11 N2 129.45(19) 3_655 .
C1 Na1 C11 N2 -27.25(18) . .
Na2 Na1 C11 N2 23.16(16) . .
Na1 Na1 C11 N2 -31.4(6) 3_655 .
N2 Na1 C11 C12 -109.5(3) . .
N1 Na1 C11 C12 -121.4(2) . .
C8 Na1 C11 C12 42.6(2) 3_655 .
C9 Na1 C11 C12 19.3(2) 3_655 .
C7 Na1 C11 C12 67.8(2) 3_655 .
C2 Na1 C11 C12 -138.1(3) . .
C10 Na1 C11 C12 19.9(3) 3_655 .
C1 Na1 C11 C12 -136.8(2) . .
Na2 Na1 C11 C12 -86.4(2) . .
Na1 Na1 C11 C12 -140.9(5) 3_655 .
N2 Na1 C11 C16 124.0(3) . .
N1 Na1 C11 C16 112.1(2) . .
C8 Na1 C11 C16 -83.9(2) 3_655 .
C9 Na1 C11 C16 -107.1(2) 3_655 .
C7 Na1 C11 C16 -58.7(2) 3_655 .
C2 Na1 C11 C16 95.4(2) . .
C10 Na1 C11 C16 -106.5(2) 3_655 .
C1 Na1 C11 C16 96.8(2) . .
Na2 Na1 C11 C16 147.2(2) . .
Na1 Na1 C11 C16 92.6(6) 3_655 .
N2 C11 C12 C13 -176.6(3) . .
C16 C11 C12 C13 -1.7(4) . .
Na1 C11 C12 C13 -121.7(3) . .
N2 C11 C12 C23 5.2(4) . .
C16 C11 C12 C23 -179.9(3) . .
Na1 C11 C12 C23 60.1(3) . .
C11 C12 C13 C14 0.1(5) . .
C23 C12 C13 C14 178.3(3) . .
C12 C13 C14 C15 1.1(5) . .
C13 C14 C15 C16 -0.8(6) . .
C14 C15 C16 C11 -0.8(5) . .
C14 C15 C16 C26 170.5(3) . .
N2 C11 C16 C15 176.4(3) . .
C12 C11 C16 C15 2.0(4) . .
Na1 C11 C16 C15 123.6(3) . .
N2 C11 C16 C26 5.6(5) . .
C12 C11 C16 C26 -168.8(3) . .
Na1 C11 C16 C26 -47.2(3) . .
C7 C6 C17 C18 -25.2(4) . .
C5 C6 C17 C18 159.6(3) . .
C7 C6 C17 C19 99.8(3) . .
C5 C6 C17 C19 -75.5(3) . .
C9 C10 C20 C22 -61.2(4) . .
C5 C10 C20 C22 122.8(3) . .
Na1 C10 C20 C22 -135.9(2) 3_655 .
C9 C10 C20 C21 62.3(3) . .
C5 C10 C20 C21 -113.7(3) . .
Na1 C10 C20 C21 -12.5(3) 3_655 .
C13 C12 C23 C24 -97.9(4) . .
C11 C12 C23 C24 80.3(4) . .
C13 C12 C23 C25 27.2(5) . .
C11 C12 C23 C25 -154.6(3) . .
C15 C16 C26 C28 -71.8(4) . .
C11 C16 C26 C28 99.2(4) . .
C15 C16 C26 C27 50.8(4) . .
C11 C16 C26 C27 -138.3(3) . .
C31 O1 C29 C30 177.5(7) . .
Na2 O1 C29 C30 -3.0(10) . .
C29 O1 C31 C32 -178.1(9) . .
Na2 O1 C31 C32 2.5(13) . .
