#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/24/7212458.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_7212458
loop_
_publ_author_name
'Chen, Shui-Sheng'
'Bai, Zheng-Shuai'
'Fan, Jian'
'Lv, Gao-Chao'
'Su, Zhi'
'Chen, Man-Sheng'
'Sun, Wei-Yin'
_publ_section_title
;
 Synthesis and characterization of metal complexes with a mixed
 4-imidazole-containing ligand and a variety of multi-carboxylic acids
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3091
_journal_paper_doi               10.1039/c000373e
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C48 H42 Mn3 N8 O14'
_chemical_formula_sum            'C48 H42 Mn3 N8 O14'
_chemical_formula_weight         1119.72
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.955(3)
_cell_angle_beta                 93.424(3)
_cell_angle_gamma                104.368(2)
_cell_formula_units_Z            1
_cell_length_a                   9.2547(12)
_cell_length_b                   10.1947(14)
_cell_length_c                   12.9233(17)
_cell_measurement_reflns_used    2005
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.06
_cell_measurement_theta_min      2.40
_cell_volume                     1160.6(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega 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  0.0686
_diffrn_reflns_av_sigmaI/netI    0.0818
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7029
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.883
_exptl_absorpt_correction_T_max  0.9091
_exptl_absorpt_correction_T_min  0.8716
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             573
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.384
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         5163
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0453
_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)+(0.0466P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1166
_reflns_number_gt                3500
_reflns_number_total             5163
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c000373e.txt
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7212458
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Mn1 Mn 0.0000 0.0000 0.5000 0.02433(16) Uani 1 2 d S
Mn2 Mn 0.74458(5) 1.05465(5) 0.27358(4) 0.02998(15) Uani 1 1 d .
C1 C -0.1252(3) 0.4175(3) 0.8176(2) 0.0280(7) Uani 1 1 d .
C2 C 0.0006(3) 0.5275(3) 0.8321(2) 0.0367(8) Uani 1 1 d .
H2A H 0.0801 0.5207 0.7926 0.044 Uiso 1 1 calc R
C3 C 0.0126(4) 0.6457(3) 0.9020(3) 0.0395(8) Uani 1 1 d .
H3A H 0.0976 0.7188 0.9075 0.047 Uiso 1 1 calc R
C4 C -0.1031(3) 0.6571(3) 0.9657(2) 0.0298(7) Uani 1 1 d .
C5 C -0.2291(4) 0.5471(3) 0.9508(2) 0.0362(8) Uani 1 1 d .
H5A H -0.3084 0.5535 0.9905 0.043 Uiso 1 1 calc R
C6 C -0.2419(4) 0.4294(3) 0.8802(2) 0.0363(8) Uani 1 1 d .
H6A H -0.3279 0.3571 0.8735 0.044 Uiso 1 1 calc R
C7 C -0.0325(3) 0.2488(3) 0.6847(2) 0.0326(7) Uani 1 1 d .
H7A H 0.0682 0.2958 0.6898 0.039 Uiso 1 1 calc R
C8 C -0.2370(3) 0.0952(3) 0.6398(2) 0.0366(8) Uani 1 1 d .
H8A H -0.3084 0.0152 0.6083 0.044 Uiso 1 1 calc R
C9 C -0.1356(3) 0.2943(3) 0.7398(2) 0.0300(7) Uani 1 1 d .
C10 C -0.2014(4) 0.8277(3) 1.0925(2) 0.0371(8) Uani 1 1 d .
H10A H -0.3031 0.7827 1.0830 0.044 Uiso 1 1 calc R
C11 C 0.0042(4) 0.9770(3) 1.1485(2) 0.0366(8) Uani 1 1 d .
H11A H 0.0748 1.0548 1.1846 0.044 Uiso 1 1 calc R
C12 C -0.0941(3) 0.7811(3) 1.0422(2) 0.0325(7) Uani 1 1 d .
C13 C 0.2611(3) 0.4454(3) 0.3817(2) 0.0257(6) Uani 1 1 d .
C14 C 0.3611(3) 0.5704(3) 0.4244(2) 0.0291(7) Uani 1 1 d .
H14A H 0.3328 0.6293 0.4772 0.035 Uiso 1 1 calc R
C15 C 0.5002(3) 0.6095(3) 0.3910(2) 0.0316(7) Uani 1 1 d .
C16 C 0.5404(3) 0.5206(3) 0.3116(2) 0.0343(8) Uani 1 1 d .
H16A H 0.6339 0.5463 0.2870 0.041 Uiso 1 1 calc R
C17 C 0.4427(3) 0.3941(3) 0.2687(2) 0.0301(7) Uani 1 1 d .
C18 C 0.3038(3) 0.3592(3) 0.3053(2) 0.0309(7) Uani 1 1 d .
H18A H 0.2376 0.2747 0.2771 0.037 Uiso 1 1 calc R
C19 C 0.1066(3) 0.4123(3) 0.4227(3) 0.0329(7) Uani 1 1 d .
H19A H 0.1197 0.4345 0.4991 0.039 Uiso 1 1 calc R
H19B H 0.0491 0.4708 0.3976 0.039 Uiso 1 1 calc R
C20 C 0.0171(3) 0.2633(3) 0.3898(3) 0.0302(7) Uani 1 1 d .
C21 C 0.6102(4) 0.7430(3) 0.4422(2) 0.0404(8) Uani 1 1 d .
H21A H 0.7000 0.7220 0.4697 0.048 Uiso 1 1 calc R
H21B H 0.5669 0.7834 0.5016 0.048 Uiso 1 1 calc R
C22 C 0.6558(3) 0.8498(3) 0.3728(2) 0.0273(7) Uani 1 1 d .
C23 C 0.4873(4) 0.2962(3) 0.1836(3) 0.0404(8) Uani 1 1 d .
H23A H 0.3989 0.2474 0.1357 0.048 Uiso 1 1 calc R
H23B H 0.5581 0.3495 0.1438 0.048 Uiso 1 1 calc R
C24 C 0.5567(3) 0.1918(3) 0.2237(3) 0.0349(7) Uani 1 1 d .
N1 N -0.0957(3) 0.1242(3) 0.6201(2) 0.0350(6) Uani 1 1 d .
N2 N -0.2660(3) 0.1925(3) 0.7095(2) 0.0360(6) Uani 1 1 d .
H2B H -0.3517 0.1920 0.7320 0.043 Uiso 1 1 calc R
N3 N -0.1391(3) 0.9499(3) 1.1593(2) 0.0382(7) Uani 1 1 d .
N4 N 0.0369(3) 0.8799(3) 1.0799(2) 0.0373(7) Uani 1 1 d .
H4A H 0.1247 0.8789 1.0621 0.045 Uiso 1 1 calc R
O1 O 0.0646(2) 0.1746(2) 0.42544(19) 0.0449(6) Uani 1 1 d .
O1W O 0.6578(3) 0.1079(3) 0.9471(3) 0.0601(8) Uani 1 1 d .
O2 O -0.0989(3) 0.2396(2) 0.3286(2) 0.0560(7) Uani 1 1 d .
O3 O 0.7756(2) 0.94432(19) 0.40347(16) 0.0312(5) Uani 1 1 d .
O4 O 0.5783(2) 0.8512(2) 0.29203(17) 0.0338(5) Uani 1 1 d .
O5 O 0.5655(3) 0.1790(2) 0.31670(18) 0.0481(6) Uani 1 1 d .
O6 O 0.6083(2) 0.1163(2) 0.15611(17) 0.0428(6) Uani 1 1 d .
H1WA H 0.642(3) 0.109(3) 1.019(3) 0.037(9) Uiso 1 1 d .
H1WB H 0.609(5) 0.053(4) 0.907(3) 0.057(15) Uiso 1 1 d .
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'
Mn Mn 0.3368 0.7283 '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
O1 Mn1 O1 180.0 2_556 .
O1 Mn1 N1 91.06(9) 2_556 .
O1 Mn1 N1 88.94(9) . .
O1 Mn1 N1 88.94(9) 2_556 2_556
O1 Mn1 N1 91.06(9) . 2_556
N1 Mn1 N1 180.0 . 2_556
O1 Mn1 O3 88.36(7) 2_556 2_666
O1 Mn1 O3 91.64(7) . 2_666
N1 Mn1 O3 92.57(8) . 2_666
N1 Mn1 O3 87.43(8) 2_556 2_666
O1 Mn1 O3 91.64(7) 2_556 1_445
O1 Mn1 O3 88.36(7) . 1_445
N1 Mn1 O3 87.43(8) . 1_445
N1 Mn1 O3 92.57(8) 2_556 1_445
O3 Mn1 O3 180.0 2_666 1_445
O2 Mn2 N3 102.71(11) 1_665 1_654
O2 Mn2 O6 100.19(9) 1_665 1_565
N3 Mn2 O6 94.96(9) 1_654 1_565
O2 Mn2 O3 99.71(8) 1_665 .
N3 Mn2 O3 97.84(9) 1_654 .
O6 Mn2 O3 153.29(8) 1_565 .
O2 Mn2 O4 154.33(9) 1_665 .
N3 Mn2 O4 92.67(9) 1_654 .
O6 Mn2 O4 98.78(8) 1_565 .
O3 Mn2 O4 57.39(7) . .
O2 Mn2 O5 85.03(10) 1_665 1_565
N3 Mn2 O5 151.62(9) 1_654 1_565
O6 Mn2 O5 56.67(8) 1_565 1_565
O3 Mn2 O5 107.83(8) . 1_565
O4 Mn2 O5 91.13(8) . 1_565
O2 Mn2 C24 88.57(10) 1_665 1_565
N3 Mn2 C24 123.74(11) 1_654 1_565
O6 Mn2 C24 29.11(9) 1_565 1_565
O3 Mn2 C24 134.77(10) . 1_565
O4 Mn2 C24 99.92(9) . 1_565
O5 Mn2 C24 28.18(9) 1_565 1_565
O2 Mn2 C22 127.87(10) 1_665 .
N3 Mn2 C22 96.37(9) 1_654 .
O6 Mn2 C22 126.08(9) 1_565 .
O3 Mn2 C22 29.12(8) . .
O4 Mn2 C22 28.28(7) . .
O5 Mn2 C22 100.18(9) 1_565 .
C24 Mn2 C22 119.38(10) 1_565 .
C2 C1 C6 117.4(3) . .
C2 C1 C9 120.9(3) . .
C6 C1 C9 121.7(3) . .
C3 C2 C1 122.5(3) . .
C3 C2 H2A 118.7 . .
C1 C2 H2A 118.7 . .
C2 C3 C4 120.1(3) . .
C2 C3 H3A 119.9 . .
C4 C3 H3A 119.9 . .
C5 C4 C3 117.2(3) . .
C5 C4 C12 120.9(3) . .
C3 C4 C12 121.9(3) . .
C6 C5 C4 122.7(3) . .
C6 C5 H5A 118.6 . .
C4 C5 H5A 118.6 . .
C5 C6 C1 120.0(3) . .
C5 C6 H6A 120.0 . .
C1 C6 H6A 120.0 . .
C9 C7 N1 111.4(3) . .
C9 C7 H7A 124.3 . .
N1 C7 H7A 124.3 . .
N1 C8 N2 112.5(3) . .
N1 C8 H8A 123.8 . .
N2 C8 H8A 123.8 . .
C7 C9 N2 104.3(3) . .
C7 C9 C1 132.5(3) . .
N2 C9 C1 123.3(3) . .
C12 C10 N3 110.6(3) . .
C12 C10 H10A 124.7 . .
N3 C10 H10A 124.7 . .
N3 C11 N4 111.8(3) . .
N3 C11 H11A 124.1 . .
N4 C11 H11A 124.1 . .
C10 C12 N4 104.3(3) . .
C10 C12 C4 131.5(3) . .
N4 C12 C4 124.2(3) . .
C18 C13 C14 118.8(3) . .
C18 C13 C19 123.4(3) . .
C14 C13 C19 117.8(3) . .
C15 C14 C13 121.7(3) . .
C15 C14 H14A 119.1 . .
C13 C14 H14A 119.1 . .
C14 C15 C16 118.4(3) . .
C14 C15 C21 120.8(3) . .
C16 C15 C21 120.7(3) . .
C17 C16 C15 120.8(3) . .
C17 C16 H16A 119.6 . .
C15 C16 H16A 119.6 . .
C18 C17 C16 118.5(3) . .
C18 C17 C23 120.6(3) . .
C16 C17 C23 120.9(3) . .
C13 C18 C17 121.7(3) . .
C13 C18 H18A 119.2 . .
C17 C18 H18A 119.2 . .
C20 C19 C13 114.3(2) . .
C20 C19 H19A 108.7 . .
C13 C19 H19A 108.7 . .
C20 C19 H19B 108.7 . .
C13 C19 H19B 108.7 . .
H19A C19 H19B 107.6 . .
O1 C20 O2 124.7(3) . .
O1 C20 C19 117.9(3) . .
O2 C20 C19 117.4(3) . .
C15 C21 C22 116.4(3) . .
C15 C21 H21A 108.2 . .
C22 C21 H21A 108.2 . .
C15 C21 H21B 108.2 . .
C22 C21 H21B 108.2 . .
H21A C21 H21B 107.3 . .
O4 C22 O3 120.1(3) . .
O4 C22 C21 122.7(3) . .
O3 C22 C21 117.2(3) . .
O4 C22 Mn2 62.48(15) . .
O3 C22 Mn2 57.60(14) . .
C21 C22 Mn2 173.3(2) . .
C24 C23 C17 114.6(3) . .
C24 C23 H23A 108.6 . .
C17 C23 H23A 108.6 . .
C24 C23 H23B 108.6 . .
C17 C23 H23B 108.6 . .
H23A C23 H23B 107.6 . .
O5 C24 O6 120.3(3) . .
O5 C24 C23 123.2(3) . .
O6 C24 C23 116.6(3) . .
O5 C24 Mn2 65.41(17) . 1_545
O6 C24 Mn2 56.88(15) . 1_545
C23 C24 Mn2 163.4(2) . 1_545
C8 N1 C7 103.6(3) . .
C8 N1 Mn1 125.2(2) . .
C7 N1 Mn1 131.0(2) . .
C8 N2 C9 108.2(3) . .
C8 N2 H2B 125.9 . .
C9 N2 H2B 125.9 . .
C11 N3 C10 105.1(3) . .
C11 N3 Mn2 128.7(2) . 1_456
C10 N3 Mn2 125.6(2) . 1_456
C11 N4 C12 108.2(3) . .
C11 N4 H4A 125.9 . .
C12 N4 H4A 125.9 . .
C20 O1 Mn1 143.2(2) . .
H1WA O1W H1WB 119(4) . .
C20 O2 Mn2 128.9(2) . 1_445
C22 O3 Mn2 93.29(17) . .
C22 O3 Mn1 144.75(19) . 1_665
Mn2 O3 Mn1 119.32(8) . 1_665
C22 O4 Mn2 89.24(16) . .
C24 O5 Mn2 86.41(19) . 1_545
C24 O6 Mn2 94.01(19) . 1_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.128(2) 2_556
Mn1 O1 2.128(2) .
Mn1 N1 2.215(3) .
Mn1 N1 2.215(3) 2_556
Mn1 O3 2.2534(19) 2_666
Mn1 O3 2.2534(19) 1_445
Mn2 O2 2.065(2) 1_665
Mn2 N3 2.180(3) 1_654
Mn2 O6 2.180(2) 1_565
Mn2 O3 2.204(2) .
Mn2 O4 2.311(2) .
Mn2 O5 2.366(2) 1_565
Mn2 C24 2.597(3) 1_565
Mn2 C22 2.606(3) .
C1 C2 1.381(4) .
C1 C6 1.405(4) .
C1 C9 1.460(4) .
C2 C3 1.365(4) .
C2 H2A 0.9300 .
C3 C4 1.406(4) .
C3 H3A 0.9300 .
C4 C5 1.383(4) .
C4 C12 1.460(4) .
C5 C6 1.364(4) .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C7 C9 1.353(4) .
C7 N1 1.377(4) .
C7 H7A 0.9300 .
C8 N1 1.316(4) .
C8 N2 1.323(4) .
C8 H8A 0.9300 .
C9 N2 1.371(4) .
C10 C12 1.360(4) .
C10 N3 1.370(4) .
C10 H10A 0.9300 .
C11 N3 1.306(4) .
C11 N4 1.329(4) .
C11 H11A 0.9300 .
C12 N4 1.375(4) .
C13 C18 1.361(4) .
C13 C14 1.385(4) .
C13 C19 1.531(4) .
C14 C15 1.367(4) .
C14 H14A 0.9300 .
C15 C16 1.391(4) .
C15 C21 1.509(4) .
C16 C17 1.389(4) .
C16 H16A 0.9300 .
C17 C18 1.379(4) .
C17 C23 1.514(4) .
C18 H18A 0.9300 .
C19 C20 1.518(4) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 O1 1.235(3) .
C20 O2 1.244(4) .
C21 C22 1.513(4) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 O4 1.235(3) .
C22 O3 1.270(3) .
C23 C24 1.512(4) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 O5 1.229(4) .
C24 O6 1.267(4) .
C24 Mn2 2.597(3) 1_545
N2 H2B 0.8600 .
N3 Mn2 2.180(3) 1_456
N4 H4A 0.8600 .
O1W H1WA 0.94(3) .
O1W H1WB 0.74(4) .
O2 Mn2 2.065(2) 1_445
O3 Mn1 2.2534(19) 1_665
O5 Mn2 2.366(2) 1_545
O6 Mn2 2.180(2) 1_545
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
C6 C1 C2 C3 -1.6(5) . .
C9 C1 C2 C3 178.2(3) . .
C1 C2 C3 C4 2.5(5) . .
C2 C3 C4 C5 -2.6(5) . .
C2 C3 C4 C12 179.4(3) . .
C3 C4 C5 C6 2.0(5) . .
C12 C4 C5 C6 -179.9(3) . .
C4 C5 C6 C1 -1.2(5) . .
C2 C1 C6 C5 0.9(4) . .
C9 C1 C6 C5 -178.9(3) . .
N1 C7 C9 N2 1.3(3) . .
N1 C7 C9 C1 179.5(3) . .
C2 C1 C9 C7 13.4(5) . .
C6 C1 C9 C7 -166.8(3) . .
C2 C1 C9 N2 -168.6(3) . .
C6 C1 C9 N2 11.1(4) . .
N3 C10 C12 N4 -0.4(3) . .
N3 C10 C12 C4 179.2(3) . .
C5 C4 C12 C10 -15.7(5) . .
C3 C4 C12 C10 162.3(3) . .
C5 C4 C12 N4 163.8(3) . .
C3 C4 C12 N4 -18.2(5) . .
C18 C13 C14 C15 0.7(4) . .
C19 C13 C14 C15 -178.7(3) . .
C13 C14 C15 C16 0.3(4) . .
C13 C14 C15 C21 -177.0(3) . .
C14 C15 C16 C17 -1.2(4) . .
C21 C15 C16 C17 176.1(3) . .
C15 C16 C17 C18 1.0(4) . .
C15 C16 C17 C23 -178.9(3) . .
C14 C13 C18 C17 -0.9(4) . .
C19 C13 C18 C17 178.5(3) . .
C16 C17 C18 C13 0.0(4) . .
C23 C17 C18 C13 180.0(3) . .
C18 C13 C19 C20 13.1(4) . .
C14 C13 C19 C20 -167.6(3) . .
C13 C19 C20 O1 66.8(4) . .
C13 C19 C20 O2 -113.1(3) . .
C14 C15 C21 C22 -116.6(3) . .
C16 C15 C21 C22 66.1(4) . .
C15 C21 C22 O4 22.4(5) . .
C15 C21 C22 O3 -161.0(3) . .
O2 Mn2 C22 O4 164.68(16) 1_665 .
N3 Mn2 C22 O4 -83.78(17) 1_654 .
O6 Mn2 C22 O4 17.1(2) 1_565 .
O3 Mn2 C22 O4 -178.5(3) . .
O5 Mn2 C22 O4 73.06(17) 1_565 .
C24 Mn2 C22 O4 51.0(2) 1_565 .
O2 Mn2 C22 O3 -16.9(2) 1_665 .
N3 Mn2 C22 O3 94.69(17) 1_654 .
O6 Mn2 C22 O3 -164.42(15) 1_565 .
O4 Mn2 C22 O3 178.5(3) . .
O5 Mn2 C22 O3 -108.47(17) 1_565 .
C24 Mn2 C22 O3 -130.55(17) 1_565 .
C18 C17 C23 C24 -87.0(4) . .
C16 C17 C23 C24 92.9(3) . .
C17 C23 C24 O5 5.8(5) . .
C17 C23 C24 O6 -173.7(3) . .
C17 C23 C24 Mn2 -111.0(8) . 1_545
N2 C8 N1 C7 1.1(4) . .
N2 C8 N1 Mn1 -174.9(2) . .
C9 C7 N1 C8 -1.5(4) . .
C9 C7 N1 Mn1 174.2(2) . .
O1 Mn1 N1 C8 -59.5(3) 2_556 .
O1 Mn1 N1 C8 120.5(3) . .
O3 Mn1 N1 C8 -147.9(3) 2_666 .
O3 Mn1 N1 C8 32.1(3) 1_445 .
O1 Mn1 N1 C7 125.6(3) 2_556 .
O1 Mn1 N1 C7 -54.4(3) . .
O3 Mn1 N1 C7 37.2(3) 2_666 .
O3 Mn1 N1 C7 -142.8(3) 1_445 .
N1 C8 N2 C9 -0.4(4) . .
C7 C9 N2 C8 -0.6(3) . .
C1 C9 N2 C8 -179.0(3) . .
N4 C11 N3 C10 -0.3(4) . .
N4 C11 N3 Mn2 171.2(2) . 1_456
C12 C10 N3 C11 0.4(4) . .
C12 C10 N3 Mn2 -171.4(2) . 1_456
N3 C11 N4 C12 0.0(4) . .
C10 C12 N4 C11 0.3(3) . .
C4 C12 N4 C11 -179.4(3) . .
O2 C20 O1 Mn1 -48.8(6) . .
C19 C20 O1 Mn1 131.3(3) . .
N1 Mn1 O1 C20 -52.1(4) . .
N1 Mn1 O1 C20 127.9(4) 2_556 .
O3 Mn1 O1 C20 -144.6(4) 2_666 .
O3 Mn1 O1 C20 35.4(4) 1_445 .
O1 C20 O2 Mn2 4.2(5) . 1_445
C19 C20 O2 Mn2 -175.9(2) . 1_445
O4 C22 O3 Mn2 1.6(3) . .
C21 C22 O3 Mn2 -175.1(2) . .
O4 C22 O3 Mn1 -157.0(2) . 1_665
C21 C22 O3 Mn1 26.3(5) . 1_665
Mn2 C22 O3 Mn1 -158.6(3) . 1_665
O2 Mn2 O3 C22 166.57(18) 1_665 .
N3 Mn2 O3 C22 -89.02(18) 1_654 .
O6 Mn2 O3 C22 28.9(3) 1_565 .
O4 Mn2 O3 C22 -0.86(16) . .
O5 Mn2 O3 C22 78.71(18) 1_565 .
C24 Mn2 O3 C22 68.9(2) 1_565 .
O2 Mn2 O3 Mn1 -27.41(13) 1_665 1_665
N3 Mn2 O3 Mn1 77.00(12) 1_654 1_665
O6 Mn2 O3 Mn1 -165.10(14) 1_565 1_665
O4 Mn2 O3 Mn1 165.15(14) . 1_665
O5 Mn2 O3 Mn1 -115.28(11) 1_565 1_665
C24 Mn2 O3 Mn1 -125.13(12) 1_565 1_665
C22 Mn2 O3 Mn1 166.0(2) . 1_665
O3 C22 O4 Mn2 -1.5(3) . .
C21 C22 O4 Mn2 175.0(3) . .
O2 Mn2 O4 C22 -28.8(3) 1_665 .
N3 Mn2 O4 C22 98.48(18) 1_654 .
O6 Mn2 O4 C22 -166.07(17) 1_565 .
O3 Mn2 O4 C22 0.89(16) . .
O5 Mn2 O4 C22 -109.65(17) 1_565 .
C24 Mn2 O4 C22 -136.58(18) 1_565 .
O6 C24 O5 Mn2 15.7(3) . 1_545
C23 C24 O5 Mn2 -163.7(3) . 1_545
O5 C24 O6 Mn2 -17.1(3) . 1_545
C23 C24 O6 Mn2 162.3(2) . 1_545
