#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:38:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178609 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/20/4072055.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_4072055
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            'C60 H96 N4 Na4 O4'
_chemical_formula_weight         1029.37
_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                 106.525(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.7512(13)
_cell_length_b                   11.1570(10)
_cell_length_c                   21.709(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3193.1(5)
_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 0.948
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω scans'
_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  0.0643
_diffrn_reflns_av_sigmaI/netI    0.1033
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            18978
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.071
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.339
_refine_diff_density_min         -0.317
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         7536
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.1976
_refine_ls_R_factor_gt           0.0696
_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)+(0.1060P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1782
_refine_ls_wR_factor_ref         0.2383
_reflns_number_gt                2710
_reflns_number_total             7536
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800554q_si_002.cif
_cod_data_source_block           complex2a
_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_cell_volume        3193.0(5)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4072055
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 0.00599(9) -0.46812(14) 0.09775(6) 0.0658(4) Uani 1 1 d .
Na2 Na -0.20394(10) -0.31764(13) 0.10141(6) 0.0640(4) Uani 1 1 d .
N1 N -0.16563(19) -0.4716(2) 0.03328(12) 0.0506(7) Uani 1 1 d .
N2 N -0.09498(19) -0.4638(2) 0.16787(12) 0.0514(7) Uani 1 1 d .
O1 O -0.1655(3) -0.1068(3) 0.10988(16) 0.1067(10) Uani 1 1 d .
O2 O -0.3760(2) -0.3116(3) 0.10491(15) 0.0883(9) Uani 1 1 d .
C1 C -0.2072(2) -0.5488(3) 0.07139(16) 0.0506(8) Uani 1 1 d .
C2 C -0.1722(2) -0.5458(3) 0.13642(15) 0.0494(8) Uani 1 1 d .
C3 C -0.3068(2) -0.6102(4) 0.03810(16) 0.0683(11) Uani 1 1 d .
H3A H -0.3550 -0.5950 0.0616 0.102 Uiso 1 1 calc R
H3B H -0.2959 -0.6950 0.0364 0.102 Uiso 1 1 calc R
H3C H -0.3325 -0.5796 -0.0048 0.102 Uiso 1 1 calc R
C4 C -0.2243(3) -0.6135(4) 0.17917(16) 0.0666(10) Uani 1 1 d .
H4A H -0.2962 -0.6007 0.1639 0.100 Uiso 1 1 calc R
H4B H -0.1994 -0.5849 0.2225 0.100 Uiso 1 1 calc R
H4C H -0.2101 -0.6976 0.1780 0.100 Uiso 1 1 calc R
C5 C -0.1720(2) -0.5084(3) -0.02817(15) 0.0506(9) Uani 1 1 d .
C6 C -0.1920(2) -0.4208(4) -0.07928(17) 0.0607(10) Uani 1 1 d .
C7 C -0.2107(3) -0.4573(5) -0.14240(18) 0.0719(12) Uani 1 1 d .
H7A H -0.2259 -0.3989 -0.1743 0.086 Uiso 1 1 calc R
C8 C -0.2080(3) -0.5753(5) -0.16100(18) 0.0747(12) Uani 1 1 d .
C9 C -0.1794(3) -0.6581(4) -0.11203(17) 0.0688(11) Uani 1 1 d .
H9A H -0.1746 -0.7381 -0.1228 0.083 Uiso 1 1 calc R
C10 C -0.1572(2) -0.6276(4) -0.04668(16) 0.0569(9) Uani 1 1 d .
C11 C -0.0311(2) -0.4908(3) 0.22823(14) 0.0466(8) Uani 1 1 d .
C12 C -0.0083(3) -0.3982(3) 0.27494(15) 0.0561(9) Uani 1 1 d .
C13 C 0.0597(3) -0.4188(4) 0.33531(16) 0.0625(10) Uani 1 1 d .
H13A H 0.0732 -0.3566 0.3650 0.075 Uiso 1 1 calc R
C14 C 0.1076(3) -0.5272(4) 0.35288(16) 0.0597(10) Uani 1 1 d .
C15 C 0.0861(2) -0.6177(3) 0.30677(16) 0.0560(9) Uani 1 1 d .
H15A H 0.1176 -0.6917 0.3171 0.067 Uiso 1 1 calc R
C16 C 0.0193(2) -0.6016(3) 0.24578(15) 0.0502(8) Uani 1 1 d .
C17 C -0.1983(3) -0.2902(4) -0.0633(2) 0.0903(14) Uani 1 1 d .
H17A H -0.2119 -0.2435 -0.1020 0.136 Uiso 1 1 calc R
H17B H -0.1350 -0.2652 -0.0342 0.136 Uiso 1 1 calc R
H17C H -0.2519 -0.2787 -0.0436 0.136 Uiso 1 1 calc R
C18 C -0.2340(3) -0.6106(5) -0.23138(17) 0.1096(19) Uani 1 1 d .
H18A H -0.2279 -0.6959 -0.2348 0.164 Uiso 1 1 calc R
H18B H -0.1882 -0.5716 -0.2511 0.164 Uiso 1 1 calc R
H18C H -0.3023 -0.5867 -0.2528 0.164 Uiso 1 1 calc R
C19 C -0.1120(3) -0.7222(4) 0.00294(18) 0.0716(11) Uani 1 1 d .
H19A H -0.1077 -0.7967 -0.0182 0.107 Uiso 1 1 calc R
H19B H -0.1543 -0.7322 0.0310 0.107 Uiso 1 1 calc R
H19C H -0.0454 -0.6978 0.0276 0.107 Uiso 1 1 calc R
C20 C -0.0581(3) -0.2778(4) 0.25948(19) 0.0871(14) Uani 1 1 d .
H20A H -0.0348 -0.2257 0.2959 0.131 Uiso 1 1 calc R
H20B H -0.1304 -0.2868 0.2494 0.131 Uiso 1 1 calc R
H20C H -0.0410 -0.2439 0.2233 0.131 Uiso 1 1 calc R
C21 C 0.1809(3) -0.5474(4) 0.41872(17) 0.0873(13) Uani 1 1 d .
H21A H 0.1862 -0.4755 0.4438 0.131 Uiso 1 1 calc R
H21B H 0.2465 -0.5678 0.4143 0.131 Uiso 1 1 calc R
H21C H 0.1567 -0.6116 0.4398 0.131 Uiso 1 1 calc R
C22 C 0.0094(3) -0.7026(3) 0.19797(17) 0.0656(10) Uani 1 1 d .
H22A H 0.0487 -0.7699 0.2187 0.098 Uiso 1 1 calc R
H22B H 0.0337 -0.6763 0.1629 0.098 Uiso 1 1 calc R
H22C H -0.0606 -0.7256 0.1819 0.098 Uiso 1 1 calc R
C23 C -0.0007(8) -0.0417(12) 0.1155(6) 0.278(7) Uani 1 1 d .
H23A H 0.0320 -0.0057 0.0864 0.416 Uiso 1 1 calc R
H23B H 0.0312 -0.1170 0.1304 0.416 Uiso 1 1 calc R
H23C H 0.0052 0.0106 0.1515 0.416 Uiso 1 1 calc R
C24 C -0.0877(9) -0.0578(11) 0.0884(6) 0.284(8) Uani 1 1 d .
H24A H -0.0873 -0.1054 0.0511 0.340 Uiso 1 1 calc R
H24B H -0.1129 0.0205 0.0719 0.340 Uiso 1 1 calc R
C25 C -0.2129(9) -0.0354(9) 0.1453(6) 0.265(7) Uani 1 1 d .
H25A H -0.2224 -0.0889 0.1783 0.318 Uiso 1 1 calc R
H25B H -0.1602 0.0201 0.1675 0.318 Uiso 1 1 calc R
C26 C -0.2870(8) 0.0235(11) 0.1319(6) 0.248(6) Uani 1 1 d .
H26A H -0.2953 0.0604 0.1701 0.372 Uiso 1 1 calc R
H26B H -0.3446 -0.0263 0.1129 0.372 Uiso 1 1 calc R
H26C H -0.2815 0.0845 0.1019 0.372 Uiso 1 1 calc R
C27 C -0.4762(5) -0.4322(5) 0.1588(3) 0.138(2) Uani 1 1 d .
H27A H -0.4872 -0.4468 0.1999 0.208 Uiso 1 1 calc R
H27B H -0.4544 -0.5049 0.1431 0.208 Uiso 1 1 calc R
H27C H -0.5382 -0.4053 0.1290 0.208 Uiso 1 1 calc R
C28 C -0.3964(4) -0.3381(5) 0.1655(2) 0.1009(15) Uani 1 1 d .
H28A H -0.4182 -0.2654 0.1822 0.121 Uiso 1 1 calc R
H28B H -0.3343 -0.3650 0.1963 0.121 Uiso 1 1 calc R
C29 C -0.4584(4) -0.2509(7) 0.0630(3) 0.147(2) Uani 1 1 d .
H29A H -0.4696 -0.1754 0.0822 0.176 Uiso 1 1 calc R
H29B H -0.5194 -0.2989 0.0559 0.176 Uiso 1 1 calc R
C30 C -0.4373(4) -0.2284(7) 0.0020(3) 0.165(3) Uani 1 1 d .
H30B H -0.4936 -0.1870 -0.0264 0.248 Uiso 1 1 calc R
H30C H -0.4270 -0.3033 -0.0170 0.248 Uiso 1 1 calc R
H30D H -0.3773 -0.1802 0.0092 0.248 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 73.10(10) . .
N2 Na1 C9 125.57(11) . 3_545
N1 Na1 C9 140.33(13) . 3_545
N2 Na1 C8 111.83(11) . 3_545
N1 Na1 C8 169.36(14) . 3_545
C9 Na1 C8 29.12(12) 3_545 3_545
N2 Na1 C7 120.07(11) . 3_545
N1 Na1 C7 157.12(13) . 3_545
C9 Na1 C7 49.94(13) 3_545 3_545
C8 Na1 C7 28.53(12) 3_545 3_545
N2 Na1 C10 152.54(12) . 3_545
N1 Na1 C10 119.51(10) . 3_545
C9 Na1 C10 29.29(10) 3_545 3_545
C8 Na1 C10 51.90(11) 3_545 3_545
C7 Na1 C10 58.33(11) 3_545 3_545
N2 Na1 C2 28.44(9) . .
N1 Na1 C2 52.73(9) . .
C9 Na1 C2 154.01(11) 3_545 .
C8 Na1 C2 135.28(11) 3_545 .
C7 Na1 C2 130.15(11) 3_545 .
C10 Na1 C2 171.51(11) 3_545 .
N2 Na1 C1 52.62(9) . .
N1 Na1 C1 28.26(9) . .
C9 Na1 C1 165.94(13) 3_545 .
C8 Na1 C1 161.26(12) 3_545 .
C7 Na1 C1 144.13(13) 3_545 .
C10 Na1 C1 146.73(10) 3_545 .
C2 Na1 C1 26.58(8) . .
N2 Na1 C6 142.32(11) . 3_545
N1 Na1 C6 131.49(11) . 3_545
C9 Na1 C6 57.91(12) 3_545 3_545
C8 Na1 C6 50.13(12) 3_545 3_545
C7 Na1 C6 27.43(10) 3_545 3_545
C10 Na1 C6 49.27(11) 3_545 3_545
C2 Na1 C6 137.38(11) . 3_545
C1 Na1 C6 133.64(11) . 3_545
N2 Na1 C11 26.13(8) . .
N1 Na1 C11 98.42(9) . .
C9 Na1 C11 108.25(10) 3_545 .
C8 Na1 C11 87.86(10) 3_545 .
C7 Na1 C11 94.05(10) 3_545 .
C10 Na1 C11 137.40(10) 3_545 .
C2 Na1 C11 48.09(9) . .
C1 Na1 C11 74.62(9) . .
C6 Na1 C11 118.16(10) 3_545 .
N2 Na1 C5 168.79(10) . 3_545
N1 Na1 C5 117.34(9) . 3_545
C9 Na1 C5 49.51(10) 3_545 3_545
C8 Na1 C5 58.67(10) 3_545 3_545
C7 Na1 C5 48.72(10) 3_545 3_545
C10 Na1 C5 27.35(10) 3_545 3_545
C2 Na1 C5 155.25(10) . 3_545
C1 Na1 C5 135.14(10) . 3_545
C6 Na1 C5 27.52(9) 3_545 3_545
C11 Na1 C5 142.71(9) . 3_545
N2 Na1 Na2 45.56(7) . .
N1 Na1 Na2 46.08(7) . .
C9 Na1 Na2 118.13(11) 3_545 .
C8 Na1 Na2 130.42(12) 3_545 .
C7 Na1 Na2 156.45(11) 3_545 .
C10 Na1 Na2 123.55(10) 3_545 .
C2 Na1 Na2 49.35(7) . .
C1 Na1 Na2 49.21(7) . .
C6 Na1 Na2 172.03(9) 3_545 .
C11 Na1 Na2 69.22(7) . .
C5 Na1 Na2 144.50(8) 3_545 .
O2 Na2 N2 117.04(12) . .
O2 Na2 O1 99.69(13) . .
N2 Na2 O1 122.16(12) . .
O2 Na2 N1 115.39(11) . .
N2 Na2 N1 71.21(9) . .
O1 Na2 N1 131.23(13) . .
O2 Na2 C1 95.02(11) . .
N2 Na2 C1 56.76(10) . .
O1 Na2 C1 162.81(13) . .
N1 Na2 C1 32.08(9) . .
O2 Na2 C2 95.82(11) . .
N2 Na2 C2 32.12(9) . .
O1 Na2 C2 154.15(12) . .
N1 Na2 C2 56.51(10) . .
C1 Na2 C2 29.57(9) . .
O2 Na2 Na1 151.62(10) . .
N2 Na2 Na1 44.01(7) . .
O1 Na2 Na1 108.58(11) . .
N1 Na2 Na1 45.02(7) . .
C1 Na2 Na1 57.57(8) . .
C2 Na2 Na1 57.02(7) . .
C5 N1 C1 117.3(3) . .
C5 N1 Na1 110.8(2) . .
C1 N1 Na1 99.39(18) . .
C5 N1 Na2 147.1(2) . .
C1 N1 Na2 83.15(18) . .
Na1 N1 Na2 88.90(9) . .
C11 N2 C2 120.0(3) . .
C11 N2 Na1 106.07(19) . .
C2 N2 Na1 100.08(18) . .
C11 N2 Na2 146.6(2) . .
C2 N2 Na2 83.99(17) . .
Na1 N2 Na2 90.43(10) . .
C25 O1 C24 119.0(8) . .
C25 O1 Na2 118.3(6) . .
C24 O1 Na2 122.1(6) . .
C29 O2 C28 110.9(4) . .
C29 O2 Na2 127.9(3) . .
C28 O2 Na2 118.1(3) . .
C2 C1 N1 120.6(3) . .
C2 C1 C3 120.7(3) . .
N1 C1 C3 117.0(3) . .
C2 C1 Na2 75.2(2) . .
N1 C1 Na2 64.77(17) . .
C3 C1 Na2 120.3(2) . .
C2 C1 Na1 75.71(18) . .
N1 C1 Na1 52.36(14) . .
C3 C1 Na1 159.8(2) . .
Na2 C1 Na1 73.22(9) . .
C1 C2 N2 120.7(3) . .
C1 C2 C4 122.2(3) . .
N2 C2 C4 116.3(3) . .
C1 C2 Na2 75.2(2) . .
N2 C2 Na2 63.89(16) . .
C4 C2 Na2 125.6(2) . .
C1 C2 Na1 77.72(19) . .
N2 C2 Na1 51.48(14) . .
C4 C2 Na1 153.5(2) . .
Na2 C2 Na1 73.63(9) . .
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 125.4(3) . .
N1 C5 C6 119.3(3) . .
C10 C5 C6 115.3(3) . .
N1 C5 Na1 130.4(2) . 3_545
C10 C5 Na1 66.19(18) . 3_545
C6 C5 Na1 71.79(19) . 3_545
C7 C6 C5 120.2(4) . .
C7 C6 C17 120.4(4) . .
C5 C6 C17 119.3(3) . .
C7 C6 Na1 70.5(2) . 3_545
C5 C6 Na1 80.7(2) . 3_545
C17 C6 Na1 122.8(3) . 3_545
C8 C7 C6 123.9(4) . .
C8 C7 Na1 73.3(2) . 3_545
C6 C7 Na1 82.0(2) . 3_545
C8 C7 H7A 118.0 . .
C6 C7 H7A 118.0 . .
Na1 C7 H7A 116.9 3_545 .
C9 C8 C7 116.0(3) . .
C9 C8 C18 122.4(5) . .
C7 C8 C18 121.6(4) . .
C9 C8 Na1 73.1(2) . 3_545
C7 C8 Na1 78.1(2) . 3_545
C18 C8 Na1 117.4(3) . 3_545
C8 C9 C10 123.3(4) . .
C8 C9 Na1 77.8(2) . 3_545
C10 C9 Na1 80.0(2) . 3_545
C8 C9 H9A 118.4 . .
C10 C9 H9A 118.4 . .
Na1 C9 H9A 113.9 3_545 .
C9 C10 C5 120.3(3) . .
C9 C10 C19 118.6(4) . .
C5 C10 C19 121.0(3) . .
C9 C10 Na1 70.66(19) . 3_545
C5 C10 Na1 86.5(2) . 3_545
C19 C10 Na1 110.2(2) . 3_545
N2 C11 C16 125.0(3) . .
N2 C11 C12 118.0(3) . .
C16 C11 C12 116.9(3) . .
N2 C11 Na1 47.80(15) . .
C16 C11 Na1 97.2(2) . .
C12 C11 Na1 123.1(2) . .
C13 C12 C11 120.3(3) . .
C13 C12 C20 119.9(3) . .
C11 C12 C20 119.8(3) . .
C14 C13 C12 123.0(3) . .
C14 C13 H13A 118.5 . .
C12 C13 H13A 118.5 . .
C13 C14 C15 116.7(3) . .
C13 C14 C21 122.0(4) . .
C15 C14 C21 121.3(4) . .
C16 C15 C14 122.5(3) . .
C16 C15 H15A 118.7 . .
C14 C15 H15A 118.7 . .
C15 C16 C11 120.6(3) . .
C15 C16 C22 117.6(3) . .
C11 C16 C22 121.6(3) . .
C6 C17 H17A 109.5 . .
C6 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C6 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C8 C18 H18A 109.5 . .
C8 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C8 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C10 C19 H19A 109.5 . .
C10 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C10 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C12 C20 H20A 109.5 . .
C12 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C12 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C14 C21 H21A 109.5 . .
C14 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C14 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C16 C22 H22A 109.5 . .
C16 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C16 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 H23A 109.5 . .
C24 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C24 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C23 C24 O1 131.0(14) . .
C23 C24 H24A 104.5 . .
O1 C24 H24A 104.5 . .
C23 C24 H24B 104.5 . .
O1 C24 H24B 104.5 . .
H24A C24 H24B 105.7 . .
C26 C25 O1 133.8(13) . .
C26 C25 H25A 103.8 . .
O1 C25 H25A 103.8 . .
C26 C25 H25B 103.8 . .
O1 C25 H25B 103.8 . .
H25A C25 H25B 105.4 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C28 C27 H27A 109.5 . .
C28 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C28 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O2 C28 C27 112.3(4) . .
O2 C28 H28A 109.1 . .
C27 C28 H28A 109.1 . .
O2 C28 H28B 109.1 . .
C27 C28 H28B 109.1 . .
H28A C28 H28B 107.9 . .
O2 C29 C30 109.8(5) . .
O2 C29 H29A 109.7 . .
C30 C29 H29A 109.7 . .
O2 C29 H29B 109.7 . .
C30 C29 H29B 109.7 . .
H29A C29 H29B 108.2 . .
C29 C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C30 H30D 109.5 . .
H30B C30 H30D 109.5 . .
H30C C30 H30D 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 2.334(3) .
Na1 N1 2.377(3) .
Na1 C9 2.710(4) 3_545
Na1 C8 2.769(4) 3_545
Na1 C7 2.829(4) 3_545
Na1 C10 2.829(4) 3_545
Na1 C2 2.937(3) .
Na1 C1 2.962(3) .
Na1 C6 2.971(4) 3_545
Na1 C11 3.028(3) .
Na1 C5 3.086(3) 3_545
Na1 Na2 3.3599(19) .
Na2 O2 2.390(3) .
Na2 N2 2.399(3) .
Na2 O1 2.406(4) .
Na2 N1 2.421(3) .
Na2 C1 2.657(4) .
Na2 C2 2.657(4) .
N1 C5 1.374(4) .
N1 C1 1.421(4) .
N2 C11 1.387(4) .
N2 C2 1.421(4) .
O1 C25 1.392(11) .
O1 C24 1.394(11) .
O2 C29 1.408(6) .
O2 C28 1.451(5) .
C1 C2 1.356(4) .
C1 C3 1.519(4) .
C2 C4 1.525(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 1.421(5) .
C5 C6 1.445(5) .
C5 Na1 3.086(3) 3_545
C6 C7 1.382(5) .
C6 C17 1.506(6) .
C6 Na1 2.971(4) 3_545
C7 C8 1.381(6) .
C7 Na1 2.829(4) 3_545
C7 H7A 0.9300 .
C8 C9 1.379(6) .
C8 C18 1.519(5) .
C8 Na1 2.769(4) 3_545
C9 C10 1.405(5) .
C9 Na1 2.710(4) 3_545
C9 H9A 0.9300 .
C10 C19 1.510(5) .
C10 Na1 2.829(4) 3_545
C11 C16 1.416(4) .
C11 C12 1.418(4) .
C12 C13 1.396(4) .
C12 C20 1.502(5) .
C13 C14 1.378(5) .
C13 H13A 0.9300 .
C14 C15 1.393(5) .
C14 C21 1.513(5) .
C15 C16 1.392(4) .
C15 H15A 0.9300 .
C16 C22 1.511(4) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
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 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
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 1.188(11) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.177(11) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.495(7) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.455(7) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C30 H30D 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 O2 -57.3(2) . .
N1 Na1 Na2 O2 54.9(2) . .
C9 Na1 Na2 O2 -170.9(2) 3_545 .
C8 Na1 Na2 O2 -138.6(2) 3_545 .
C7 Na1 Na2 O2 -117.7(3) 3_545 .
C10 Na1 Na2 O2 155.4(2) 3_545 .
C2 Na1 Na2 O2 -18.7(2) . .
C1 Na1 Na2 O2 16.6(2) . .
C6 Na1 Na2 O2 130.8(6) 3_545 .
C11 Na1 Na2 O2 -70.7(2) . .
C5 Na1 Na2 O2 130.3(2) 3_545 .
N1 Na1 Na2 N2 112.27(14) . .
C9 Na1 Na2 N2 -113.55(14) 3_545 .
C8 Na1 Na2 N2 -81.31(16) 3_545 .
C7 Na1 Na2 N2 -60.4(3) 3_545 .
C10 Na1 Na2 N2 -147.24(14) 3_545 .
C2 Na1 Na2 N2 38.62(12) . .
C1 Na1 Na2 N2 73.93(13) . .
C6 Na1 Na2 N2 -171.8(7) 3_545 .
C11 Na1 Na2 N2 -13.37(11) . .
C5 Na1 Na2 N2 -172.34(17) 3_545 .
N2 Na1 Na2 O1 117.40(14) . .
N1 Na1 Na2 O1 -130.32(14) . .
C9 Na1 Na2 O1 3.85(14) 3_545 .
C8 Na1 Na2 O1 36.10(17) 3_545 .
C7 Na1 Na2 O1 57.0(3) 3_545 .
C10 Na1 Na2 O1 -29.84(14) 3_545 .
C2 Na1 Na2 O1 156.02(13) . .
C1 Na1 Na2 O1 -168.67(13) . .
C6 Na1 Na2 O1 -54.4(7) 3_545 .
C11 Na1 Na2 O1 104.04(11) . .
C5 Na1 Na2 O1 -54.94(17) 3_545 .
N2 Na1 Na2 N1 -112.27(14) . .
C9 Na1 Na2 N1 134.17(14) 3_545 .
C8 Na1 Na2 N1 166.42(17) 3_545 .
C7 Na1 Na2 N1 -172.7(3) 3_545 .
C10 Na1 Na2 N1 100.49(13) 3_545 .
C2 Na1 Na2 N1 -73.66(13) . .
C1 Na1 Na2 N1 -38.35(12) . .
C6 Na1 Na2 N1 75.9(7) 3_545 .
C11 Na1 Na2 N1 -125.64(12) . .
C5 Na1 Na2 N1 75.39(16) 3_545 .
N2 Na1 Na2 C1 -73.93(13) . .
N1 Na1 Na2 C1 38.35(12) . .
C9 Na1 Na2 C1 172.52(13) 3_545 .
C8 Na1 Na2 C1 -155.24(16) 3_545 .
C7 Na1 Na2 C1 -134.3(3) 3_545 .
C10 Na1 Na2 C1 138.83(13) 3_545 .
C2 Na1 Na2 C1 -35.31(11) . .
C6 Na1 Na2 C1 114.2(7) 3_545 .
C11 Na1 Na2 C1 -87.29(11) . .
C5 Na1 Na2 C1 113.73(16) 3_545 .
N2 Na1 Na2 C2 -38.62(12) . .
N1 Na1 Na2 C2 73.66(13) . .
C9 Na1 Na2 C2 -152.17(14) 3_545 .
C8 Na1 Na2 C2 -119.93(16) 3_545 .
C7 Na1 Na2 C2 -99.0(3) 3_545 .
C10 Na1 Na2 C2 174.14(13) 3_545 .
C1 Na1 Na2 C2 35.31(11) . .
C6 Na1 Na2 C2 149.5(7) 3_545 .
C11 Na1 Na2 C2 -51.99(11) . .
C5 Na1 Na2 C2 149.04(16) 3_545 .
N2 Na1 N1 C5 -163.3(2) . .
C9 Na1 N1 C5 70.9(3) 3_545 .
C8 Na1 N1 C5 77.6(7) 3_545 .
C7 Na1 N1 C5 -34.5(4) 3_545 .
C10 Na1 N1 C5 43.4(3) 3_545 .
C2 Na1 N1 C5 -140.7(3) . .
C1 Na1 N1 C5 -124.1(3) . .
C6 Na1 N1 C5 -16.6(3) 3_545 .
C11 Na1 N1 C5 -156.8(2) . .
C5 Na1 N1 C5 12.3(3) 3_545 .
Na2 Na1 N1 C5 153.1(3) . .
N2 Na1 N1 C1 -39.20(19) . .
C9 Na1 N1 C1 -165.1(2) 3_545 .
C8 Na1 N1 C1 -158.4(6) 3_545 .
C7 Na1 N1 C1 89.6(3) 3_545 .
C10 Na1 N1 C1 167.46(19) 3_545 .
C2 Na1 N1 C1 -16.68(18) . .
C6 Na1 N1 C1 107.5(2) 3_545 .
C11 Na1 N1 C1 -32.7(2) . .
C5 Na1 N1 C1 136.36(19) 3_545 .
Na2 Na1 N1 C1 -82.87(19) . .
N2 Na1 N1 Na2 43.67(10) . .
C9 Na1 N1 Na2 -82.21(19) 3_545 .
C8 Na1 N1 Na2 -75.5(7) 3_545 .
C7 Na1 N1 Na2 172.5(3) 3_545 .
C10 Na1 N1 Na2 -109.67(13) 3_545 .
C2 Na1 N1 Na2 66.20(11) . .
C1 Na1 N1 Na2 82.87(19) . .
C6 Na1 N1 Na2 -169.65(12) 3_545 .
C11 Na1 N1 Na2 50.18(10) . .
C5 Na1 N1 Na2 -140.77(11) 3_545 .
O2 Na2 N1 C5 76.8(4) . .
N2 Na2 N1 C5 -171.4(4) . .
O1 Na2 N1 C5 -54.7(4) . .
C1 Na2 N1 C5 131.7(5) . .
C2 Na2 N1 C5 156.5(4) . .
Na1 Na2 N1 C5 -128.7(4) . .
O2 Na2 N1 C1 -54.9(2) . .
N2 Na2 N1 C1 56.82(17) . .
O1 Na2 N1 C1 173.52(19) . .
C2 Na2 N1 C1 24.76(16) . .
Na1 Na2 N1 C1 99.59(18) . .
O2 Na2 N1 Na1 -154.49(11) . .
N2 Na2 N1 Na1 -42.77(9) . .
O1 Na2 N1 Na1 73.93(16) . .
C1 Na2 N1 Na1 -99.59(18) . .
C2 Na2 N1 Na1 -74.83(11) . .
N1 Na1 N2 C11 165.2(2) . .
C9 Na1 N2 C11 -54.3(3) 3_545 .
C8 Na1 N2 C11 -24.8(3) 3_545 .
C7 Na1 N2 C11 5.7(3) 3_545 .
C10 Na1 N2 C11 -72.6(3) 3_545 .
C2 Na1 N2 C11 125.4(3) . .
C1 Na1 N2 C11 143.1(2) . .
C6 Na1 N2 C11 27.6(3) 3_545 .
C5 Na1 N2 C11 5.9(7) 3_545 .
Na2 Na1 N2 C11 -150.6(2) . .
N1 Na1 N2 C2 39.81(19) . .
C9 Na1 N2 C2 -179.7(2) 3_545 .
C8 Na1 N2 C2 -150.2(2) 3_545 .
C7 Na1 N2 C2 -119.7(2) 3_545 .
C10 Na1 N2 C2 161.9(2) 3_545 .
C1 Na1 N2 C2 17.69(17) . .
C6 Na1 N2 C2 -97.9(2) 3_545 .
C11 Na1 N2 C2 -125.4(3) . .
C5 Na1 N2 C2 -119.5(6) 3_545 .
Na2 Na1 N2 C2 83.97(18) . .
N1 Na1 N2 Na2 -44.16(10) . .
C9 Na1 N2 Na2 96.35(16) 3_545 .
C8 Na1 N2 Na2 125.83(15) 3_545 .
C7 Na1 N2 Na2 156.33(14) 3_545 .
C10 Na1 N2 Na2 78.0(2) 3_545 .
C2 Na1 N2 Na2 -83.97(18) . .
C1 Na1 N2 Na2 -66.28(11) . .
C6 Na1 N2 Na2 178.16(15) 3_545 .
C11 Na1 N2 Na2 150.6(2) . .
C5 Na1 N2 Na2 156.5(5) 3_545 .
O2 Na2 N2 C11 -85.7(4) . .
O1 Na2 N2 C11 37.2(4) . .
N1 Na2 N2 C11 164.7(4) . .
C1 Na2 N2 C11 -163.2(4) . .
C2 Na2 N2 C11 -138.9(5) . .
Na1 Na2 N2 C11 121.0(4) . .
O2 Na2 N2 C2 53.2(2) . .
O1 Na2 N2 C2 176.18(19) . .
N1 Na2 N2 C2 -56.35(17) . .
C1 Na2 N2 C2 -24.25(16) . .
Na1 Na2 N2 C2 -100.09(18) . .
O2 Na2 N2 Na1 153.31(11) . .
O1 Na2 N2 Na1 -83.73(15) . .
N1 Na2 N2 Na1 43.74(9) . .
C1 Na2 N2 Na1 75.85(11) . .
C2 Na2 N2 Na1 100.09(18) . .
O2 Na2 O1 C25 31.8(6) . .
N2 Na2 O1 C25 -98.9(6) . .
N1 Na2 O1 C25 168.5(5) . .
C1 Na2 O1 C25 -179.8(6) . .
C2 Na2 O1 C25 -94.2(6) . .
Na1 Na2 O1 C25 -145.6(5) . .
O2 Na2 O1 C24 -157.3(6) . .
N2 Na2 O1 C24 72.0(6) . .
N1 Na2 O1 C24 -20.6(6) . .
C1 Na2 O1 C24 -8.9(8) . .
C2 Na2 O1 C24 76.6(7) . .
Na1 Na2 O1 C24 25.2(6) . .
N2 Na2 O2 C29 -167.6(4) . .
O1 Na2 O2 C29 58.5(5) . .
N1 Na2 O2 C29 -86.6(5) . .
C1 Na2 O2 C29 -112.5(4) . .
C2 Na2 O2 C29 -142.2(4) . .
Na1 Na2 O2 C29 -126.5(4) . .
N2 Na2 O2 C28 34.3(3) . .
O1 Na2 O2 C28 -99.6(3) . .
N1 Na2 O2 C28 115.2(3) . .
C1 Na2 O2 C28 89.3(3) . .
C2 Na2 O2 C28 59.6(3) . .
Na1 Na2 O2 C28 75.3(4) . .
C5 N1 C1 C2 154.4(3) . .
Na1 N1 C1 C2 35.1(3) . .
Na2 N1 C1 C2 -52.7(3) . .
C5 N1 C1 C3 -40.2(4) . .
Na1 N1 C1 C3 -159.5(3) . .
Na2 N1 C1 C3 112.7(3) . .
C5 N1 C1 Na2 -152.9(3) . .
Na1 N1 C1 Na2 87.73(11) . .
C5 N1 C1 Na1 119.4(3) . .
Na2 N1 C1 Na1 -87.73(11) . .
O2 Na2 C1 C2 -92.95(19) . .
N2 Na2 C1 C2 26.26(17) . .
O1 Na2 C1 C2 118.3(4) . .
N1 Na2 C1 C2 134.9(3) . .
Na1 Na2 C1 C2 79.21(18) . .
O2 Na2 C1 N1 132.10(17) . .
N2 Na2 C1 N1 -108.68(19) . .
O1 Na2 C1 N1 -16.7(5) . .
C2 Na2 C1 N1 -134.9(3) . .
Na1 Na2 C1 N1 -55.73(14) . .
O2 Na2 C1 C3 24.3(3) . .
N2 Na2 C1 C3 143.5(3) . .
O1 Na2 C1 C3 -124.5(4) . .
N1 Na2 C1 C3 -107.8(3) . .
C2 Na2 C1 C3 117.2(3) . .
Na1 Na2 C1 C3 -163.5(3) . .
O2 Na2 C1 Na1 -172.17(10) . .
N2 Na2 C1 Na1 -52.95(9) . .
O1 Na2 C1 Na1 39.0(4) . .
N1 Na2 C1 Na1 55.73(14) . .
C2 Na2 C1 Na1 -79.21(18) . .
N2 Na1 C1 C2 -18.87(19) . .
N1 Na1 C1 C2 -149.3(3) . .
C9 Na1 C1 C2 -106.8(5) 3_545 .
C8 Na1 C1 C2 18.5(5) 3_545 .
C7 Na1 C1 C2 72.3(3) 3_545 .
C10 Na1 C1 C2 -169.5(2) 3_545 .
C6 Na1 C1 C2 111.5(2) 3_545 .
C11 Na1 C1 C2 -2.96(19) . .
C5 Na1 C1 C2 150.3(2) 3_545 .
Na2 Na1 C1 C2 -78.6(2) . .
N2 Na1 C1 N1 130.4(2) . .
C9 Na1 C1 N1 42.6(5) 3_545 .
C8 Na1 C1 N1 167.8(4) 3_545 .
C7 Na1 C1 N1 -138.4(2) 3_545 .
C10 Na1 C1 N1 -20.2(3) 3_545 .
C2 Na1 C1 N1 149.3(3) . .
C6 Na1 C1 N1 -99.2(2) 3_545 .
C11 Na1 C1 N1 146.3(2) . .
C5 Na1 C1 N1 -60.4(2) 3_545 .
Na2 Na1 C1 N1 70.75(19) . .
N2 Na1 C1 C3 -165.3(7) . .
N1 Na1 C1 C3 64.2(7) . .
C9 Na1 C1 C3 106.8(8) 3_545 .
C8 Na1 C1 C3 -128.0(7) 3_545 .
C7 Na1 C1 C3 -74.2(7) 3_545 .
C10 Na1 C1 C3 44.1(8) 3_545 .
C2 Na1 C1 C3 -146.5(8) . .
C6 Na1 C1 C3 -35.0(8) 3_545 .
C11 Na1 C1 C3 -149.4(7) . .
C5 Na1 C1 C3 3.9(8) 3_545 .
Na2 Na1 C1 C3 135.0(7) . .
N2 Na1 C1 Na2 59.69(10) . .
N1 Na1 C1 Na2 -70.75(19) . .
C9 Na1 C1 Na2 -28.2(5) 3_545 .
C8 Na1 C1 Na2 97.0(4) 3_545 .
C7 Na1 C1 Na2 150.81(17) 3_545 .
C10 Na1 C1 Na2 -90.9(2) 3_545 .
C2 Na1 C1 Na2 78.6(2) . .
C6 Na1 C1 Na2 -169.94(12) 3_545 .
C11 Na1 C1 Na2 75.60(9) . .
C5 Na1 C1 Na2 -131.10(13) 3_545 .
N1 C1 C2 N2 1.4(5) . .
C3 C1 C2 N2 -163.4(3) . .
Na2 C1 C2 N2 -46.6(3) . .
Na1 C1 C2 N2 29.4(3) . .
N1 C1 C2 C4 171.0(3) . .
C3 C1 C2 C4 6.2(5) . .
Na2 C1 C2 C4 123.0(3) . .
Na1 C1 C2 C4 -160.9(3) . .
N1 C1 C2 Na2 48.1(3) . .
C3 C1 C2 Na2 -116.8(3) . .
Na1 C1 C2 Na2 76.06(7) . .
N1 C1 C2 Na1 -28.0(3) . .
C3 C1 C2 Na1 167.2(3) . .
Na2 C1 C2 Na1 -76.06(7) . .
C11 N2 C2 C1 -153.1(3) . .
Na1 N2 C2 C1 -37.8(3) . .
Na2 N2 C2 C1 51.5(3) . .
C11 N2 C2 C4 36.6(4) . .
Na1 N2 C2 C4 151.9(2) . .
Na2 N2 C2 C4 -118.7(3) . .
C11 N2 C2 Na2 155.3(3) . .
Na1 N2 C2 Na2 -89.37(11) . .
C11 N2 C2 Na1 -115.3(3) . .
Na2 N2 C2 Na1 89.37(11) . .
O2 Na2 C2 C1 89.92(19) . .
N2 Na2 C2 C1 -135.9(3) . .
O1 Na2 C2 C1 -143.3(3) . .
N1 Na2 C2 C1 -26.79(17) . .
Na1 Na2 C2 C1 -81.27(18) . .
O2 Na2 C2 N2 -134.19(18) . .
O1 Na2 C2 N2 -7.4(4) . .
N1 Na2 C2 N2 109.11(19) . .
C1 Na2 C2 N2 135.9(3) . .
Na1 Na2 C2 N2 54.63(15) . .
O2 Na2 C2 C4 -29.3(3) . .
N2 Na2 C2 C4 104.9(3) . .
O1 Na2 C2 C4 97.4(4) . .
N1 Na2 C2 C4 -146.0(3) . .
C1 Na2 C2 C4 -119.2(3) . .
Na1 Na2 C2 C4 159.5(3) . .
O2 Na2 C2 Na1 171.18(10) . .
N2 Na2 C2 Na1 -54.63(15) . .
O1 Na2 C2 Na1 -62.1(3) . .
N1 Na2 C2 Na1 54.48(9) . .
C1 Na2 C2 Na1 81.27(18) . .
N2 Na1 C2 C1 147.3(3) . .
N1 Na1 C2 C1 17.68(19) . .
C9 Na1 C2 C1 147.9(3) 3_545 .
C8 Na1 C2 C1 -171.7(2) 3_545 .
C7 Na1 C2 C1 -133.1(2) 3_545 .
C10 Na1 C2 C1 42.8(8) 3_545 .
C6 Na1 C2 C1 -96.1(2) 3_545 .
C11 Na1 C2 C1 176.2(3) . .
C5 Na1 C2 C1 -56.5(3) 3_545 .
Na2 Na1 C2 C1 78.0(2) . .
N1 Na1 C2 N2 -129.7(2) . .
C9 Na1 C2 N2 0.6(4) 3_545 .
C8 Na1 C2 N2 41.0(3) 3_545 .
C7 Na1 C2 N2 79.6(2) 3_545 .
C10 Na1 C2 N2 -104.5(8) 3_545 .
C1 Na1 C2 N2 -147.3(3) . .
C6 Na1 C2 N2 116.6(2) 3_545 .
C11 Na1 C2 N2 28.82(17) . .
C5 Na1 C2 N2 156.2(2) 3_545 .
Na2 Na1 C2 N2 -69.36(18) . .
N2 Na1 C2 C4 -70.9(5) . .
N1 Na1 C2 C4 159.4(6) . .
C9 Na1 C2 C4 -70.3(6) 3_545 .
C8 Na1 C2 C4 -30.0(6) 3_545 .
C7 Na1 C2 C4 8.6(6) 3_545 .
C10 Na1 C2 C4 -175.5(7) 3_545 .
C1 Na1 C2 C4 141.7(6) . .
C6 Na1 C2 C4 45.7(6) 3_545 .
C11 Na1 C2 C4 -42.1(5) . .
C5 Na1 C2 C4 85.2(6) 3_545 .
Na2 Na1 C2 C4 -140.3(6) . .
N2 Na1 C2 Na2 69.36(18) . .
N1 Na1 C2 Na2 -60.30(10) . .
C9 Na1 C2 Na2 70.0(3) 3_545 .
C8 Na1 C2 Na2 110.33(19) 3_545 .
C7 Na1 C2 Na2 148.92(15) 3_545 .
C10 Na1 C2 Na2 -35.2(8) 3_545 .
C1 Na1 C2 Na2 -78.0(2) . .
C6 Na1 C2 Na2 -174.04(13) 3_545 .
C11 Na1 C2 Na2 98.18(12) . .
C5 Na1 C2 Na2 -134.5(2) 3_545 .
C1 N1 C5 C10 -40.1(4) . .
Na1 N1 C5 C10 73.0(3) . .
Na2 N1 C5 C10 -163.6(3) . .
C1 N1 C5 C6 142.1(3) . .
Na1 N1 C5 C6 -104.8(3) . .
Na2 N1 C5 C6 18.6(6) . .
C1 N1 C5 Na1 -127.5(3) . 3_545
Na1 N1 C5 Na1 -14.4(3) . 3_545
Na2 N1 C5 Na1 109.0(4) . 3_545
N1 C5 C6 C7 -172.3(3) . .
C10 C5 C6 C7 9.6(4) . .
Na1 C5 C6 C7 60.9(3) 3_545 .
N1 C5 C6 C17 4.2(5) . .
C10 C5 C6 C17 -173.8(3) . .
Na1 C5 C6 C17 -122.5(3) 3_545 .
N1 C5 C6 Na1 126.7(3) . 3_545
C10 C5 C6 Na1 -51.3(3) . 3_545
C5 C6 C7 C8 -2.5(5) . .
C17 C6 C7 C8 -179.0(4) . .
Na1 C6 C7 C8 63.7(3) 3_545 .
C5 C6 C7 Na1 -66.2(3) . 3_545
C17 C6 C7 Na1 117.3(3) . 3_545
C6 C7 C8 C9 -3.6(6) . .
Na1 C7 C8 C9 64.3(3) 3_545 .
C6 C7 C8 C18 177.1(3) . .
Na1 C7 C8 C18 -115.0(3) 3_545 .
C6 C7 C8 Na1 -67.9(3) . 3_545
C7 C8 C9 C10 2.1(5) . .
C18 C8 C9 C10 -178.6(3) . .
Na1 C8 C9 C10 69.3(3) 3_545 .
C7 C8 C9 Na1 -67.2(3) . 3_545
C18 C8 C9 Na1 112.1(3) . 3_545
C8 C9 C10 C5 5.5(5) . .
Na1 C9 C10 C5 73.7(3) 3_545 .
C8 C9 C10 C19 -171.2(3) . .
Na1 C9 C10 C19 -103.0(3) 3_545 .
C8 C9 C10 Na1 -68.2(3) . 3_545
N1 C5 C10 C9 171.1(3) . .
C6 C5 C10 C9 -11.0(4) . .
Na1 C5 C10 C9 -65.1(3) 3_545 .
N1 C5 C10 C19 -12.3(5) . .
C6 C5 C10 C19 165.6(3) . .
Na1 C5 C10 C19 111.5(3) 3_545 .
N1 C5 C10 Na1 -123.8(3) . 3_545
C6 C5 C10 Na1 54.1(3) . 3_545
C2 N2 C11 C16 47.5(4) . .
Na1 N2 C11 C16 -64.6(3) . .
Na2 N2 C11 C16 178.5(3) . .
C2 N2 C11 C12 -137.1(3) . .
Na1 N2 C11 C12 110.7(3) . .
Na2 N2 C11 C12 -6.1(6) . .
C2 N2 C11 Na1 112.1(3) . .
Na2 N2 C11 Na1 -116.8(4) . .
N1 Na1 C11 N2 -14.3(2) . .
C9 Na1 C11 N2 136.0(2) 3_545 .
C8 Na1 C11 N2 157.1(2) 3_545 .
C7 Na1 C11 N2 -175.0(2) 3_545 .
C10 Na1 C11 N2 139.4(2) 3_545 .
C2 Na1 C11 N2 -31.42(19) . .
C1 Na1 C11 N2 -29.6(2) . .
C6 Na1 C11 N2 -161.3(2) 3_545 .
C5 Na1 C11 N2 -178.1(2) 3_545 .
Na2 Na1 C11 N2 22.02(19) . .
N2 Na1 C11 C16 131.8(3) . .
N1 Na1 C11 C16 117.5(2) . .
C9 Na1 C11 C16 -92.3(2) 3_545 .
C8 Na1 C11 C16 -71.1(2) 3_545 .
C7 Na1 C11 C16 -43.3(2) 3_545 .
C10 Na1 C11 C16 -88.8(2) 3_545 .
C2 Na1 C11 C16 100.3(2) . .
C1 Na1 C11 C16 102.1(2) . .
C6 Na1 C11 C16 -29.5(2) 3_545 .
C5 Na1 C11 C16 -46.3(3) 3_545 .
Na2 Na1 C11 C16 153.8(2) . .
N2 Na1 C11 C12 -99.4(3) . .
N1 Na1 C11 C12 -113.7(3) . .
C9 Na1 C11 C12 36.5(3) 3_545 .
C8 Na1 C11 C12 57.7(3) 3_545 .
C7 Na1 C11 C12 85.5(3) 3_545 .
C10 Na1 C11 C12 40.0(3) 3_545 .
C2 Na1 C11 C12 -130.9(3) . .
C1 Na1 C11 C12 -129.1(3) . .
C6 Na1 C11 C12 99.3(3) 3_545 .
C5 Na1 C11 C12 82.5(3) 3_545 .
Na2 Na1 C11 C12 -77.4(3) . .
N2 C11 C12 C13 -176.7(3) . .
C16 C11 C12 C13 -0.9(5) . .
Na1 C11 C12 C13 -120.8(3) . .
N2 C11 C12 C20 3.7(5) . .
C16 C11 C12 C20 179.4(3) . .
Na1 C11 C12 C20 59.5(4) . .
C11 C12 C13 C14 0.0(5) . .
C20 C12 C13 C14 179.6(4) . .
C12 C13 C14 C15 0.7(5) . .
C12 C13 C14 C21 -179.9(4) . .
C13 C14 C15 C16 -0.4(5) . .
C21 C14 C15 C16 -179.8(3) . .
C14 C15 C16 C11 -0.6(5) . .
C14 C15 C16 C22 174.5(3) . .
N2 C11 C16 C15 176.6(3) . .
C12 C11 C16 C15 1.2(5) . .
Na1 C11 C16 C15 134.2(3) . .
N2 C11 C16 C22 1.7(5) . .
C12 C11 C16 C22 -173.7(3) . .
Na1 C11 C16 C22 -40.7(3) . .
C25 O1 C24 C23 80(2) . .
Na2 O1 C24 C23 -90.5(18) . .
C24 O1 C25 C26 95(2) . .
Na2 O1 C25 C26 -94(2) . .
C29 O2 C28 C27 70.2(6) . .
Na2 O2 C28 C27 -128.1(4) . .
C28 O2 C29 C30 -178.4(5) . .
Na2 O2 C29 C30 22.2(8) . .
