#------------------------------------------------------------------------------
#$Date: 2021-04-28 09:02:22 +0300 (Wed, 28 Apr 2021) $
#$Revision: 264621 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/21/1562185.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_1562185
loop_
_publ_author_name
'Li, Gui-Lian'
'Yin, Wei-Dong'
'Liu, Guang-Zhen'
'Ma, Lu-Fang'
'Wang, Li-Ya'
_publ_section_title
;
 Syntheses, structures and magnetic properties of four coordination
 polymers based on nitrobenzene dicarboxylate and various N-donor
 coligands
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1016/j.jssc.2014.08.007
_journal_volume                  220
_journal_year                    2014
_chemical_formula_sum            'C26 H20 Mn N7 O7'
_chemical_formula_weight         597.43
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                106.962(5)
_cell_angle_beta                 98.287(5)
_cell_angle_gamma                97.359(4)
_cell_formula_units_Z            2
_cell_length_a                   10.2120(5)
_cell_length_b                   11.2640(6)
_cell_length_c                   11.8008(8)
_cell_measurement_reflns_used    3791
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.5700
_cell_measurement_theta_min      3.6630
_cell_volume                     1263.89(13)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9233
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         3.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.585
_exptl_absorpt_correction_T_max  0.8870
_exptl_absorpt_correction_T_min  0.8083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.379
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         4712
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0411
_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)+(0.0396P)²+0.7325P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.1029
_reflns_number_gt                3823
_reflns_number_total             4712
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2014-220-1.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562185
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.0000 1.0000 0.0000 0.02328(14) Uani 1 2 d S . .
Mn2 Mn 0.0000 0.5000 0.0000 0.02437(14) Uani 1 2 d S . .
N1 N 0.2271(3) 0.9177(2) 0.3630(2) 0.0455(6) Uani 1 1 d . . .
N2 N 0.1784(2) 0.4685(2) 0.11969(19) 0.0305(5) Uani 1 1 d . . .
N3 N 0.34432(19) 0.53279(19) 0.27735(18) 0.0285(5) Uani 1 1 d . . .
N4 N 0.6180(2) 0.81191(19) 0.74792(18) 0.0298(5) Uani 1 1 d . . .
N5 N 0.7878(2) 0.90783(19) 0.89987(19) 0.0318(5) Uani 1 1 d . . .
N6 N -0.0743(2) 1.09733(19) 0.16740(18) 0.0297(5) Uani 1 1 d . . .
N7 N -0.0544(2) 1.25330(19) 0.33702(18) 0.0308(5) Uani 1 1 d . . .
O1 O 0.02668(18) 0.84453(16) 0.06961(17) 0.0370(4) Uani 1 1 d . . .
O2 O 0.01308(17) 0.68032(16) 0.13717(16) 0.0310(4) Uani 1 1 d . . .
O3 O 0.13187(16) 0.59682(16) -0.07917(15) 0.0300(4) Uani 1 1 d . . .
O4 O 0.3231(2) 0.6414(2) -0.13458(19) 0.0614(7) Uani 1 1 d . . .
O5 O 0.1087(3) 0.8957(4) 0.3453(2) 0.1081(12) Uani 1 1 d . . .
O6 O 0.2878(3) 0.9783(4) 0.4618(3) 0.1259(15) Uani 1 1 d . . .
O7W O 0.7713(2) 0.6596(2) 0.2307(2) 0.0668(7) Uani 1 1 d . . .
H2W H 0.8510 0.6752 0.2189 0.100 Uiso 1 1 d R . .
H1W H 0.7504 0.5797 0.2020 0.100 Uiso 1 1 d R . .
C1 C 0.0770(2) 0.7722(2) 0.1163(2) 0.0261(5) Uani 1 1 d . . .
C2 C 0.2310(2) 0.7946(2) 0.1514(2) 0.0270(5) Uani 1 1 d . . .
C3 C 0.3009(3) 0.8671(2) 0.2670(2) 0.0346(6) Uani 1 1 d . . .
C4 C 0.4395(3) 0.8915(3) 0.2995(3) 0.0486(8) Uani 1 1 d . . .
H4 H 0.4816 0.9418 0.3770 0.058 Uiso 1 1 calc R . .
C5 C 0.5139(3) 0.8409(3) 0.2161(3) 0.0541(9) Uani 1 1 d . . .
H5 H 0.6073 0.8565 0.2364 0.065 Uiso 1 1 calc R . .
C6 C 0.4498(3) 0.7670(3) 0.1022(3) 0.0435(7) Uani 1 1 d . . .
H6 H 0.5010 0.7321 0.0462 0.052 Uiso 1 1 calc R . .
C7 C 0.3101(2) 0.7427(2) 0.0681(2) 0.0300(6) Uani 1 1 d . . .
C8 C 0.2511(2) 0.6546(2) -0.0582(2) 0.0312(6) Uani 1 1 d . . .
C9 C 0.2155(2) 0.5359(2) 0.2339(2) 0.0288(6) Uani 1 1 d . . .
H9 H 0.1600 0.5805 0.2793 0.035 Uiso 1 1 calc R . .
C10 C 0.3924(3) 0.4586(3) 0.1830(2) 0.0368(6) Uani 1 1 d . . .
H10 H 0.4785 0.4396 0.1845 0.044 Uiso 1 1 calc R . .
C11 C 0.2888(3) 0.4193(3) 0.0877(2) 0.0367(6) Uani 1 1 d . . .
H11 H 0.2919 0.3665 0.0114 0.044 Uiso 1 1 calc R . .
C12 C 0.4161(2) 0.6007(2) 0.3971(2) 0.0293(6) Uani 1 1 d . . .
C13 C 0.3512(3) 0.6104(3) 0.4930(2) 0.0390(7) Uani 1 1 d . . .
H13 H 0.2625 0.5697 0.4798 0.047 Uiso 1 1 calc R . .
C14 C 0.4171(3) 0.6801(3) 0.6090(2) 0.0398(7) Uani 1 1 d . . .
H14 H 0.3728 0.6867 0.6736 0.048 Uiso 1 1 calc R . .
C15 C 0.5487(2) 0.7397(2) 0.6284(2) 0.0302(6) Uani 1 1 d . . .
C16 C 0.6142(3) 0.7277(3) 0.5325(2) 0.0414(7) Uani 1 1 d . . .
H16 H 0.7036 0.7665 0.5459 0.050 Uiso 1 1 calc R . .
C17 C 0.5483(3) 0.6586(3) 0.4162(2) 0.0394(7) Uani 1 1 d . . .
H17 H 0.5927 0.6513 0.3517 0.047 Uiso 1 1 calc R . .
C18 C 0.5643(3) 0.8609(3) 0.8472(3) 0.0458(7) Uani 1 1 d . . .
H18 H 0.4735 0.8547 0.8509 0.055 Uiso 1 1 calc R . .
C19 C 0.6690(3) 0.9201(3) 0.9389(3) 0.0427(7) Uani 1 1 d . . .
H19 H 0.6614 0.9630 1.0173 0.051 Uiso 1 1 calc R . .
C20 C 0.7525(3) 0.8432(3) 0.7851(2) 0.0349(6) Uani 1 1 d . . .
H20 H 0.8136 0.8212 0.7347 0.042 Uiso 1 1 calc R . .
C21 C -0.0983(3) 1.0487(3) 0.2581(3) 0.0420(7) Uani 1 1 d . . .
H21 H -0.1197 0.9631 0.2487 0.050 Uiso 1 1 calc R . .
C22 C -0.0494(2) 1.2207(2) 0.2186(2) 0.0287(6) Uani 1 1 d . . .
H22 H -0.0305 1.2784 0.1780 0.034 Uiso 1 1 calc R . .
C23 C -0.0864(3) 1.1426(3) 0.3627(3) 0.0473(8) Uani 1 1 d . . .
H23 H -0.0975 1.1343 0.4370 0.057 Uiso 1 1 calc R . .
C24 C -0.0270(2) 1.3792(2) 0.4203(2) 0.0282(5) Uani 1 1 d . . .
C25 C -0.0613(3) 1.4773(2) 0.3810(2) 0.0323(6) Uani 1 1 d . . .
H25 H -0.1022 1.4618 0.3012 0.039 Uiso 1 1 calc R . .
C26 C 0.0347(3) 1.4014(2) 0.5389(2) 0.0326(6) Uani 1 1 d . . .
H26 H 0.0580 1.3350 0.5646 0.039 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'
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_575 .
O1 Mn1 N6 89.45(7) 2_575 2_575
O1 Mn1 N6 90.55(7) . 2_575
O1 Mn1 N6 90.55(7) 2_575 .
O1 Mn1 N6 89.45(7) . .
N6 Mn1 N6 180.000(1) 2_575 .
O1 Mn1 N5 92.85(7) 2_575 2_676
O1 Mn1 N5 87.15(7) . 2_676
N6 Mn1 N5 91.81(8) 2_575 2_676
N6 Mn1 N5 88.19(8) . 2_676
O1 Mn1 N5 87.15(7) 2_575 1_454
O1 Mn1 N5 92.85(7) . 1_454
N6 Mn1 N5 88.19(8) 2_575 1_454
N6 Mn1 N5 91.81(8) . 1_454
N5 Mn1 N5 180.0 2_676 1_454
O3 Mn2 O3 180.000(1) . 2_565
O3 Mn2 O2 93.20(6) . 2_565
O3 Mn2 O2 86.80(6) 2_565 2_565
O3 Mn2 O2 86.80(6) . .
O3 Mn2 O2 93.20(6) 2_565 .
O2 Mn2 O2 180.00(13) 2_565 .
O3 Mn2 N2 90.27(7) . .
O3 Mn2 N2 89.73(7) 2_565 .
O2 Mn2 N2 92.55(7) 2_565 .
O2 Mn2 N2 87.45(7) . .
O3 Mn2 N2 89.73(7) . 2_565
O3 Mn2 N2 90.27(7) 2_565 2_565
O2 Mn2 N2 87.45(7) 2_565 2_565
O2 Mn2 N2 92.55(7) . 2_565
N2 Mn2 N2 180.0 . 2_565
O5 N1 O6 119.2(3) . .
O5 N1 C3 120.9(2) . .
O6 N1 C3 119.8(3) . .
C9 N2 C11 105.6(2) . .
C9 N2 Mn2 121.60(17) . .
C11 N2 Mn2 128.90(17) . .
C9 N3 C10 106.7(2) . .
C9 N3 C12 125.2(2) . .
C10 N3 C12 128.0(2) . .
C20 N4 C18 105.9(2) . .
C20 N4 C15 125.9(2) . .
C18 N4 C15 128.2(2) . .
C20 N5 C19 104.7(2) . .
C20 N5 Mn1 125.97(18) . 1_656
C19 N5 Mn1 128.81(17) . 1_656
C22 N6 C21 105.1(2) . .
C22 N6 Mn1 123.20(17) . .
C21 N6 Mn1 126.53(17) . .
C22 N7 C23 106.7(2) . .
C22 N7 C24 126.2(2) . .
C23 N7 C24 127.1(2) . .
C1 O1 Mn1 162.92(18) . .
C1 O2 Mn2 114.09(15) . .
C8 O3 Mn2 140.51(16) . .
H2W O7W H1W 103.6 . .
O1 C1 O2 125.6(2) . .
O1 C1 C2 117.7(2) . .
O2 C1 C2 116.7(2) . .
C3 C2 C7 116.0(2) . .
C3 C2 C1 122.5(2) . .
C7 C2 C1 121.5(2) . .
C4 C3 C2 123.5(3) . .
C4 C3 N1 116.2(2) . .
C2 C3 N1 120.3(2) . .
C5 C4 C3 119.1(3) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C4 C5 C6 119.6(3) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C5 C6 C7 121.8(3) . .
C5 C6 H6 119.1 . .
C7 C6 H6 119.1 . .
C6 C7 C2 120.0(2) . .
C6 C7 C8 116.8(2) . .
C2 C7 C8 123.2(2) . .
O4 C8 O3 123.3(2) . .
O4 C8 C7 118.3(2) . .
O3 C8 C7 118.4(2) . .
N2 C9 N3 111.7(2) . .
N2 C9 H9 124.2 . .
N3 C9 H9 124.2 . .
C11 C10 N3 105.9(2) . .
C11 C10 H10 127.1 . .
N3 C10 H10 127.1 . .
C10 C11 N2 110.2(2) . .
C10 C11 H11 124.9 . .
N2 C11 H11 124.9 . .
C13 C12 C17 120.2(2) . .
C13 C12 N3 119.5(2) . .
C17 C12 N3 120.3(2) . .
C12 C13 C14 120.4(2) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C15 C14 C13 119.7(2) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C16 C15 C14 119.7(2) . .
C16 C15 N4 120.1(2) . .
C14 C15 N4 120.2(2) . .
C15 C16 C17 120.7(2) . .
C15 C16 H16 119.6 . .
C17 C16 H16 119.6 . .
C12 C17 C16 119.3(3) . .
C12 C17 H17 120.4 . .
C16 C17 H17 120.4 . .
C19 C18 N4 106.5(2) . .
C19 C18 H18 126.7 . .
N4 C18 H18 126.7 . .
C18 C19 N5 110.2(3) . .
C18 C19 H19 124.9 . .
N5 C19 H19 124.9 . .
N5 C20 N4 112.7(2) . .
N5 C20 H20 123.7 . .
N4 C20 H20 123.7 . .
C23 C21 N6 110.3(2) . .
C23 C21 H21 124.8 . .
N6 C21 H21 124.8 . .
N6 C22 N7 111.8(2) . .
N6 C22 H22 124.1 . .
N7 C22 H22 124.1 . .
C21 C23 N7 106.0(2) . .
C21 C23 H23 127.0 . .
N7 C23 H23 127.0 . .
C25 C24 C26 120.6(2) . .
C25 C24 N7 119.6(2) . .
C26 C24 N7 119.8(2) . .
C24 C25 C26 119.7(2) . 2_586
C24 C25 H25 120.1 . .
C26 C25 H25 120.1 2_586 .
C25 C26 C24 119.7(2) 2_586 .
C25 C26 H26 120.2 2_586 .
C24 C26 H26 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.1709(16) 2_575
Mn1 O1 2.1709(16) .
Mn1 N6 2.250(2) 2_575
Mn1 N6 2.250(2) .
Mn1 N5 2.267(2) 2_676
Mn1 N5 2.267(2) 1_454
Mn2 O3 2.1111(16) .
Mn2 O3 2.1111(16) 2_565
Mn2 O2 2.1711(17) 2_565
Mn2 O2 2.1711(17) .
Mn2 N2 2.2705(19) .
Mn2 N2 2.2705(19) 2_565
N1 O5 1.178(3) .
N1 O6 1.195(3) .
N1 C3 1.468(4) .
N2 C9 1.311(3) .
N2 C11 1.372(3) .
N3 C9 1.350(3) .
N3 C10 1.378(3) .
N3 C12 1.430(3) .
N4 C20 1.347(3) .
N4 C18 1.365(3) .
N4 C15 1.430(3) .
N5 C20 1.308(3) .
N5 C19 1.367(3) .
N5 Mn1 2.267(2) 1_656
N6 C22 1.318(3) .
N6 C21 1.375(3) .
N7 C22 1.348(3) .
N7 C23 1.378(3) .
N7 C24 1.435(3) .
O1 C1 1.233(3) .
O2 C1 1.256(3) .
O3 C8 1.258(3) .
O4 C8 1.231(3) .
O7W H2W 0.8501 .
O7W H1W 0.8500 .
C1 C2 1.536(3) .
C2 C3 1.399(3) .
C2 C7 1.405(4) .
C3 C4 1.381(4) .
C4 C5 1.368(4) .
C4 H4 0.9300 .
C5 C6 1.372(4) .
C5 H5 0.9300 .
C6 C7 1.393(3) .
C6 H6 0.9300 .
C7 C8 1.515(4) .
C9 H9 0.9300 .
C10 C11 1.352(4) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 C13 1.377(4) .
C12 C17 1.378(3) .
C13 C14 1.384(4) .
C13 H13 0.9300 .
C14 C15 1.379(3) .
C14 H14 0.9300 .
C15 C16 1.378(4) .
C16 C17 1.385(4) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.349(4) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C23 1.349(4) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.383(3) .
C24 C26 1.386(3) .
C25 C26 1.382(3) 2_586
C25 H25 0.9300 .
C26 C25 1.382(3) 2_586
C26 H26 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7W H1W O3 0.85 2.63 3.279(3) 133.7 2_665
O7W H1W O4 0.85 2.36 3.212(4) 174.4 2_665
O7W H2W O2 0.85 2.04 2.856(3) 162.1 1_655
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
O3 Mn2 N2 C9 102.96(19) . . . .
O3 Mn2 N2 C9 -77.04(19) 2_565 . . .
O2 Mn2 N2 C9 -163.82(19) 2_565 . . .
O2 Mn2 N2 C9 16.18(19) . . . .
N2 Mn2 N2 C9 -59(90) 2_565 . . .
O3 Mn2 N2 C11 -51.3(2) . . . .
O3 Mn2 N2 C11 128.7(2) 2_565 . . .
O2 Mn2 N2 C11 41.9(2) 2_565 . . .
O2 Mn2 N2 C11 -138.1(2) . . . .
N2 Mn2 N2 C11 147(90) 2_565 . . .
O1 Mn1 N6 C22 -35.35(19) 2_575 . . .
O1 Mn1 N6 C22 144.65(19) . . . .
N6 Mn1 N6 C22 -125(100) 2_575 . . .
N5 Mn1 N6 C22 57.48(19) 2_676 . . .
N5 Mn1 N6 C22 -122.52(19) 1_454 . . .
O1 Mn1 N6 C21 174.0(2) 2_575 . . .
O1 Mn1 N6 C21 -6.0(2) . . . .
N6 Mn1 N6 C21 85(100) 2_575 . . .
N5 Mn1 N6 C21 -93.2(2) 2_676 . . .
N5 Mn1 N6 C21 86.8(2) 1_454 . . .
O1 Mn1 O1 C1 -149(100) 2_575 . . .
N6 Mn1 O1 C1 78.5(6) 2_575 . . .
N6 Mn1 O1 C1 -101.5(6) . . . .
N5 Mn1 O1 C1 -13.3(6) 2_676 . . .
N5 Mn1 O1 C1 166.7(6) 1_454 . . .
O3 Mn2 O2 C1 6.44(16) . . . .
O3 Mn2 O2 C1 -173.56(16) 2_565 . . .
O2 Mn2 O2 C1 -165(100) 2_565 . . .
N2 Mn2 O2 C1 96.85(16) . . . .
N2 Mn2 O2 C1 -83.15(16) 2_565 . . .
O3 Mn2 O3 C8 116(100) 2_565 . . .
O2 Mn2 O3 C8 -113.7(3) 2_565 . . .
O2 Mn2 O3 C8 66.3(3) . . . .
N2 Mn2 O3 C8 -21.1(3) . . . .
N2 Mn2 O3 C8 158.9(3) 2_565 . . .
Mn1 O1 C1 O2 174.8(4) . . . .
Mn1 O1 C1 C2 -5.9(7) . . . .
Mn2 O2 C1 O1 97.2(3) . . . .
Mn2 O2 C1 C2 -82.2(2) . . . .
O1 C1 C2 C3 93.5(3) . . . .
O2 C1 C2 C3 -87.0(3) . . . .
O1 C1 C2 C7 -86.5(3) . . . .
O2 C1 C2 C7 92.9(3) . . . .
C7 C2 C3 C4 2.0(4) . . . .
C1 C2 C3 C4 -178.0(2) . . . .
C7 C2 C3 N1 -175.5(2) . . . .
C1 C2 C3 N1 4.4(4) . . . .
O5 N1 C3 C4 -175.8(3) . . . .
O6 N1 C3 C4 1.4(4) . . . .
O5 N1 C3 C2 2.0(4) . . . .
O6 N1 C3 C2 179.1(3) . . . .
C2 C3 C4 C5 -1.4(4) . . . .
N1 C3 C4 C5 176.3(3) . . . .
C3 C4 C5 C6 -0.1(5) . . . .
C4 C5 C6 C7 0.7(5) . . . .
C5 C6 C7 C2 0.0(4) . . . .
C5 C6 C7 C8 -177.1(3) . . . .
C3 C2 C7 C6 -1.3(3) . . . .
C1 C2 C7 C6 178.7(2) . . . .
C3 C2 C7 C8 175.6(2) . . . .
C1 C2 C7 C8 -4.3(4) . . . .
Mn2 O3 C8 O4 137.1(2) . . . .
Mn2 O3 C8 C7 -41.6(4) . . . .
C6 C7 C8 O4 -22.6(4) . . . .
C2 C7 C8 O4 160.4(3) . . . .
C6 C7 C8 O3 156.2(2) . . . .
C2 C7 C8 O3 -20.9(4) . . . .
C11 N2 C9 N3 0.0(3) . . . .
Mn2 N2 C9 N3 -159.53(16) . . . .
C10 N3 C9 N2 0.6(3) . . . .
C12 N3 C9 N2 177.3(2) . . . .
C9 N3 C10 C11 -0.9(3) . . . .
C12 N3 C10 C11 -177.5(2) . . . .
N3 C10 C11 N2 0.9(3) . . . .
C9 N2 C11 C10 -0.6(3) . . . .
Mn2 N2 C11 C10 156.89(19) . . . .
C9 N3 C12 C13 39.9(4) . . . .
C10 N3 C12 C13 -144.1(3) . . . .
C9 N3 C12 C17 -138.7(3) . . . .
C10 N3 C12 C17 37.3(4) . . . .
C17 C12 C13 C14 1.3(4) . . . .
N3 C12 C13 C14 -177.3(2) . . . .
C12 C13 C14 C15 -0.3(4) . . . .
C13 C14 C15 C16 -1.0(4) . . . .
C13 C14 C15 N4 -179.9(2) . . . .
C20 N4 C15 C16 -19.5(4) . . . .
C18 N4 C15 C16 161.8(3) . . . .
C20 N4 C15 C14 159.3(3) . . . .
C18 N4 C15 C14 -19.3(4) . . . .
C14 C15 C16 C17 1.4(4) . . . .
N4 C15 C16 C17 -179.7(3) . . . .
C13 C12 C17 C16 -0.9(4) . . . .
N3 C12 C17 C16 177.7(2) . . . .
C15 C16 C17 C12 -0.4(5) . . . .
C20 N4 C18 C19 0.5(3) . . . .
C15 N4 C18 C19 179.4(2) . . . .
N4 C18 C19 N5 -0.9(3) . . . .
C20 N5 C19 C18 0.9(3) . . . .
Mn1 N5 C19 C18 173.0(2) 1_656 . . .
C19 N5 C20 N4 -0.6(3) . . . .
Mn1 N5 C20 N4 -172.94(16) 1_656 . . .
C18 N4 C20 N5 0.1(3) . . . .
C15 N4 C20 N5 -178.8(2) . . . .
C22 N6 C21 C23 -0.6(3) . . . .
Mn1 N6 C21 C23 154.3(2) . . . .
C21 N6 C22 N7 0.8(3) . . . .
Mn1 N6 C22 N7 -155.12(17) . . . .
C23 N7 C22 N6 -0.7(3) . . . .
C24 N7 C22 N6 177.3(2) . . . .
N6 C21 C23 N7 0.2(4) . . . .
C22 N7 C23 C21 0.3(3) . . . .
C24 N7 C23 C21 -177.7(2) . . . .
C22 N7 C24 C25 34.5(4) . . . .
C23 N7 C24 C25 -147.9(3) . . . .
C22 N7 C24 C26 -145.0(3) . . . .
C23 N7 C24 C26 32.6(4) . . . .
C26 C24 C25 C26 -0.4(4) . . . 2_586
N7 C24 C25 C26 -179.9(2) . . . 2_586
C25 C24 C26 C25 0.4(4) . . . 2_586
N7 C24 C26 C25 179.9(2) . . . 2_586
