#------------------------------------------------------------------------------
#$Date: 2015-07-05 10:34:46 +0300 (Sun, 05 Jul 2015) $
#$Revision: 140059 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/32/4513266.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_4513266
loop_
_publ_author_name
'Zhang, Lin'
'Liu, Lu'
'Huang, Chao'
'Han, Xiao'
'Guo, Li’an'
'Xu, Hong'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Polynuclear Ni(II)/Co(II)/Mn(II) Complexes Based on
 Terphenyl--Tetracarboxylic Acid Ligand: Crystal Structures and Research
 of Magnetic Properties
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3426
_journal_paper_doi               10.1021/acs.cgd.5b00504
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C22 H18 Mn2 N0 O12'
_chemical_formula_sum            'C22 H18 Mn2 N0 O12'
_chemical_formula_weight         584.24
_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                111.95(3)
_cell_angle_beta                 99.96(3)
_cell_angle_gamma                90.86(3)
_cell_formula_units_Z            2
_cell_length_a                   9.870(2)
_cell_length_b                   10.291(2)
_cell_length_c                   12.654(3)
_cell_measurement_reflns_used    3727
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.0773
_cell_measurement_theta_min      2.1029
_cell_volume                     1169.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12067
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    1.145
_exptl_absorpt_correction_T_max  0.8292
_exptl_absorpt_correction_T_min  0.7951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.561
_refine_diff_density_min         -0.879
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4337
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0730
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0900P)²+3.9156P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1807
_refine_ls_wR_factor_ref         0.1940
_reflns_number_gt                3760
_reflns_number_total             4337
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00504_si_002.cif
_cod_data_source_block           complex_3
_cod_depositor_comments
'Adding full bibliography for 4513264--4513266.cif.'
_cod_original_cell_volume        1169.7(4)
_cod_database_code               4513266
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 0.62692(4) 1.38783(4) 0.44131(4) 0.02865(12) Uani 1 1 d .
Mn2 Mn 0.56253(4) 1.08404(4) 0.21356(4) 0.03083(12) Uani 1 1 d .
O1 O 0.3749(2) 1.3961(2) 0.4525(2) 0.0407(6) Uani 1 1 d .
O2 O 0.45627(19) 1.2023(2) 0.35224(18) 0.0335(6) Uani 1 1 d .
O3 O 0.3707(3) 1.0017(3) 0.0811(2) 0.0580(8) Uani 1 1 d .
H3AA H 0.3878 1.0448 0.0386 0.087 Uiso 1 1 d R
H3BB H 0.3368 1.0672 0.1306 0.087 Uiso 1 1 d R
O4 O 0.6389(3) 1.3527(3) 0.6014(2) 0.0693(9) Uani 1 1 d .
H4AA H 0.5846 1.2841 0.5949 0.104 Uiso 1 1 d R
H4BB H 0.6945 1.3984 0.6647 0.104 Uiso 1 1 d R
O5 O -0.1494(2) 1.3781(2) 0.4406(2) 0.0526(8) Uani 1 1 d .
O6 O -0.2668(2) 1.1708(2) 0.3571(2) 0.0445(7) Uani 1 1 d .
O7 O 0.3253(3) 0.0983(2) -0.09278(19) 0.0447(6) Uani 1 1 d .
O8 O 0.4424(3) 0.1280(2) -0.2157(2) 0.0491(7) Uani 1 1 d .
O9 O 0.4211(3) 0.5748(2) -0.28415(18) 0.0473(7) Uani 1 1 d .
O10 O 0.3891(3) 0.7706(2) -0.13801(19) 0.0445(6) Uani 1 1 d .
O11 O 1.0047(10) 0.9024(8) 0.9533(7) 0.269(5) Uani 1 1 d .
H11B H 0.9183 0.8828 0.9487 0.404 Uiso 1 1 d R
H11A H 1.0206 0.8940 0.8873 0.404 Uiso 1 1 d R
O12 O 0.4679(5) 0.1303(4) 0.5760(3) 0.1008(14) Uani 1 1 d .
C1 C 0.3570(3) 1.2676(3) 0.3939(2) 0.0296(7) Uani 1 1 d .
C2 C 0.2207(3) 1.1870(3) 0.3725(2) 0.0277(7) Uani 1 1 d .
C3 C 0.2142(3) 1.0408(3) 0.3304(3) 0.0313(8) Uani 1 1 d .
H3A H 0.2939 0.9963 0.3147 0.038 Uiso 1 1 calc R
C4 C 0.0917(3) 0.9592(3) 0.3112(2) 0.0299(7) Uani 1 1 d .
C5 C -0.0280(3) 1.0293(3) 0.3334(3) 0.0339(8) Uani 1 1 d .
H5 H -0.1114 0.9776 0.3209 0.041 Uiso 1 1 calc R
C6 C -0.0225(3) 1.1760(3) 0.3741(3) 0.0314(8) Uani 1 1 d .
C7 C 0.1024(3) 1.2565(3) 0.3961(3) 0.0304(8) Uani 1 1 d .
H7 H 0.1065 1.3542 0.4259 0.037 Uiso 1 1 calc R
C8 C -0.1535(3) 1.2463(3) 0.3912(3) 0.0361(8) Uani 1 1 d .
C9 C 0.0870(3) 0.8040(3) 0.2638(3) 0.0312(8) Uani 1 1 d .
C10 C 0.1631(3) 0.7371(3) 0.1767(3) 0.0312(7) Uani 1 1 d .
H10 H 0.2166 0.7925 0.1531 0.037 Uiso 1 1 calc R
C11 C 0.1611(3) 0.5913(3) 0.1245(2) 0.0291(7) Uani 1 1 d .
C12 C 0.0823(3) 0.5114(3) 0.1639(3) 0.0364(8) Uani 1 1 d .
H12 H 0.0785 0.4138 0.1305 0.044 Uiso 1 1 calc R
C13 C 0.0093(3) 0.5749(3) 0.2520(3) 0.0385(8) Uani 1 1 d .
H13 H -0.0396 0.5197 0.2789 0.046 Uiso 1 1 calc R
C14 C 0.0091(3) 0.7209(3) 0.3001(3) 0.0369(8) Uani 1 1 d .
H14 H -0.0432 0.7626 0.3565 0.044 Uiso 1 1 calc R
C15 C 0.2381(3) 0.5260(3) 0.0278(2) 0.0307(7) Uani 1 1 d .
C16 C 0.2805(3) 0.6059(3) -0.0313(3) 0.0310(7) Uani 1 1 d .
H16 H 0.2609 0.6994 -0.0091 0.037 Uiso 1 1 calc R
C17 C 0.3511(3) 0.5494(3) -0.1223(2) 0.0299(7) Uani 1 1 d .
C18 C 0.3790(3) 0.4091(3) -0.1566(3) 0.0326(8) Uani 1 1 d .
H18 H 0.4245 0.3695 -0.2182 0.039 Uiso 1 1 calc R
C19 C 0.3394(3) 0.3292(3) -0.0996(2) 0.0324(8) Uani 1 1 d .
C20 C 0.2701(3) 0.3861(3) -0.0074(3) 0.0311(7) Uani 1 1 d .
H20 H 0.2452 0.3306 0.0309 0.037 Uiso 1 1 calc R
C21 C 0.3707(3) 0.1766(3) -0.1373(3) 0.0338(8) Uani 1 1 d .
C22 C 0.3916(3) 0.6384(3) -0.1855(3) 0.0355(8) Uani 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'
Mn Mn 0.3368 0.7283 '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'
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 O9 92.88(10) 2_686 2_675
O1 Mn1 O4 85.17(11) 2_686 .
O9 Mn1 O4 170.34(11) 2_675 .
O1 Mn1 O5 99.83(9) 2_686 1_655
O9 Mn1 O5 94.79(12) 2_675 1_655
O4 Mn1 O5 94.86(12) . 1_655
O1 Mn1 O2 133.33(8) 2_686 .
O9 Mn1 O2 85.70(9) 2_675 .
O4 Mn1 O2 88.76(10) . .
O5 Mn1 O2 126.80(8) 1_655 .
O1 Mn1 O6 155.22(8) 2_686 1_655
O9 Mn1 O6 95.45(9) 2_675 1_655
O4 Mn1 O6 90.17(11) . 1_655
O5 Mn1 O6 56.27(8) 1_655 1_655
O2 Mn1 O6 70.70(7) . 1_655
O1 Mn1 O1 80.03(8) 2_686 .
O9 Mn1 O1 88.46(10) 2_675 .
O4 Mn1 O1 81.89(11) . .
O5 Mn1 O1 176.75(11) 1_655 .
O2 Mn1 O1 53.31(7) . .
O6 Mn1 O1 123.42(8) 1_655 .
O10 Mn2 O6 92.60(10) 2_675 1_655
O10 Mn2 O2 105.01(9) 2_675 .
O6 Mn2 O2 78.93(8) 1_655 .
O10 Mn2 O8 150.89(9) 2_675 2_665
O6 Mn2 O8 95.43(10) 1_655 2_665
O2 Mn2 O8 103.98(10) . 2_665
O10 Mn2 O3 90.73(10) 2_675 .
O6 Mn2 O3 173.22(10) 1_655 .
O2 Mn2 O3 94.50(9) . .
O8 Mn2 O3 84.45(11) 2_665 .
O10 Mn2 O7 93.79(9) 2_675 2_665
O6 Mn2 O7 97.63(9) 1_655 2_665
O2 Mn2 O7 160.97(9) . 2_665
O8 Mn2 O7 57.44(9) 2_665 2_665
O3 Mn2 O7 88.04(10) . 2_665
O10 Mn2 C21 122.24(10) 2_675 2_665
O6 Mn2 C21 97.77(10) 1_655 2_665
O2 Mn2 C21 132.75(10) . 2_665
O8 Mn2 C21 28.85(10) 2_665 2_665
O3 Mn2 C21 85.41(10) . 2_665
O7 Mn2 C21 28.59(10) 2_665 2_665
C1 O1 Mn1 170.6(2) . 2_686
C1 O1 Mn1 89.11(17) . .
Mn1 O1 Mn1 99.97(8) 2_686 .
C1 O2 Mn2 154.89(19) . .
C1 O2 Mn1 97.49(15) . .
Mn2 O2 Mn1 95.25(8) . .
Mn2 O3 H3AA 96.1 . .
Mn2 O3 H3BB 82.6 . .
H3AA O3 H3BB 98.9 . .
Mn1 O4 H4AA 113.6 . .
Mn1 O4 H4BB 125.2 . .
H4AA O4 H4BB 121.1 . .
C8 O5 Mn1 96.34(18) . 1_455
C8 O6 Mn2 143.3(3) . 1_455
C8 O6 Mn1 86.27(18) . 1_455
Mn2 O6 Mn1 92.95(9) 1_455 1_455
C21 O7 Mn2 87.40(18) . 2_665
C21 O8 Mn2 94.9(2) . 2_665
C22 O9 Mn1 131.1(2) . 2_675
C22 O10 Mn2 124.4(2) . 2_675
H11B O11 H11A 110.4 . .
O1 C1 O2 119.8(2) . .
O1 C1 C2 121.1(2) . .
O2 C1 C2 119.1(2) . .
C7 C2 C3 120.2(2) . .
C7 C2 C1 121.0(2) . .
C3 C2 C1 118.8(2) . .
C4 C3 C2 121.9(3) . .
C4 C3 H3A 119.1 . .
C2 C3 H3A 119.1 . .
C3 C4 C5 117.8(3) . .
C3 C4 C9 120.7(3) . .
C5 C4 C9 121.4(3) . .
C6 C5 C4 120.5(3) . .
C6 C5 H5 119.7 . .
C4 C5 H5 119.7 . .
C5 C6 C7 120.8(3) . .
C5 C6 C8 118.9(2) . .
C7 C6 C8 120.3(3) . .
C2 C7 C6 118.7(3) . .
C2 C7 H7 120.7 . .
C6 C7 H7 120.7 . .
O5 C8 O6 121.0(3) . .
O5 C8 C6 120.2(2) . .
O6 C8 C6 118.8(3) . .
C14 C9 C10 118.5(3) . .
C14 C9 C4 122.8(3) . .
C10 C9 C4 118.7(3) . .
C11 C10 C9 122.5(3) . .
C11 C10 H10 118.7 . .
C9 C10 H10 118.7 . .
C10 C11 C12 117.3(3) . .
C10 C11 C15 120.1(3) . .
C12 C11 C15 122.6(2) . .
C13 C12 C11 121.3(3) . .
C13 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
C12 C13 C14 120.3(3) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C9 C14 C13 120.0(3) . .
C9 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C20 C15 C16 117.5(3) . .
C20 C15 C11 122.5(3) . .
C16 C15 C11 120.0(3) . .
C17 C16 C15 122.0(3) . .
C17 C16 H16 119.0 . .
C15 C16 H16 119.0 . .
C16 C17 C18 119.1(3) . .
C16 C17 C22 120.1(3) . .
C18 C17 C22 120.7(3) . .
C19 C18 C17 120.0(3) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 121.1(3) . .
C18 C19 C21 119.6(3) . .
C20 C19 C21 119.3(3) . .
C19 C20 C15 120.4(3) . .
C19 C20 H20 119.8 . .
C15 C20 H20 119.8 . .
O7 C21 O8 120.3(3) . .
O7 C21 C19 120.7(3) . .
O8 C21 C19 119.1(3) . .
O7 C21 Mn2 64.01(15) . 2_665
O8 C21 Mn2 56.26(15) . 2_665
C19 C21 Mn2 175.3(2) . 2_665
O9 C22 O10 124.6(3) . .
O9 C22 C17 117.2(2) . .
O10 C22 C17 118.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.127(2) 2_686
Mn1 O9 2.140(2) 2_675
Mn1 O4 2.171(3) .
Mn1 O5 2.212(2) 1_655
Mn1 O2 2.322(2) .
Mn1 O6 2.429(2) 1_655
Mn1 O1 2.516(2) .
Mn2 O10 2.141(3) 2_675
Mn2 O6 2.149(2) 1_655
Mn2 O2 2.177(2) .
Mn2 O8 2.192(2) 2_665
Mn2 O3 2.215(3) .
Mn2 O7 2.363(2) 2_665
Mn2 C21 2.627(3) 2_665
O1 C1 1.244(3) .
O1 Mn1 2.127(2) 2_686
O2 C1 1.273(3) .
O3 H3AA 0.8500 .
O3 H3BB 0.8500 .
O4 H4AA 0.8500 .
O4 H4BB 0.8500 .
O5 C8 1.260(4) .
O5 Mn1 2.212(2) 1_455
O6 C8 1.264(3) .
O6 Mn2 2.149(2) 1_455
O6 Mn1 2.429(2) 1_455
O7 C21 1.258(4) .
O7 Mn2 2.363(2) 2_665
O8 C21 1.272(4) .
O8 Mn2 2.192(2) 2_665
O9 C22 1.262(4) .
O9 Mn1 2.140(2) 2_675
O10 C22 1.268(3) .
O10 Mn2 2.141(3) 2_675
O11 H11B 0.8598 .
O11 H11A 0.8499 .
C1 C2 1.498(4) .
C2 C7 1.397(4) .
C2 C3 1.392(4) .
C3 C4 1.393(4) .
C3 H3A 0.9300 .
C4 C5 1.409(4) .
C4 C9 1.478(4) .
C5 C6 1.398(4) .
C5 H5 0.9300 .
C6 C7 1.401(4) .
C6 C8 1.500(4) .
C7 H7 0.9300 .
C9 C14 1.389(5) .
C9 C10 1.410(4) .
C10 C11 1.393(4) .
C10 H10 0.9300 .
C11 C12 1.397(5) .
C11 C15 1.500(4) .
C12 C13 1.392(5) .
C12 H12 0.9300 .
C13 C14 1.395(4) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C20 1.398(4) .
C15 C16 1.403(5) .
C16 C17 1.392(4) .
C16 H16 0.9300 .
C17 C18 1.391(4) .
C17 C22 1.511(5) .
C18 C19 1.371(5) .
C18 H18 0.9300 .
C19 C20 1.396(4) .
C19 C21 1.515(4) .
C20 H20 0.9300 .
C21 Mn2 2.627(3) 2_665
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
O1 Mn1 O1 C1 -177.8(3) 2_686 .
O9 Mn1 O1 C1 89.1(2) 2_675 .
O4 Mn1 O1 C1 -91.3(2) . .
O5 Mn1 O1 C1 -89.9(13) 1_655 .
O2 Mn1 O1 C1 3.27(18) . .
O6 Mn1 O1 C1 -6.5(2) 1_655 .
O1 Mn1 O1 Mn1 0.0 2_686 2_686
O9 Mn1 O1 Mn1 -93.19(11) 2_675 2_686
O4 Mn1 O1 Mn1 86.49(12) . 2_686
O5 Mn1 O1 Mn1 87.9(13) 1_655 2_686
O2 Mn1 O1 Mn1 -178.98(15) . 2_686
O6 Mn1 O1 Mn1 171.29(9) 1_655 2_686
O10 Mn2 O2 C1 67.4(5) 2_675 .
O6 Mn2 O2 C1 157.2(5) 1_655 .
O8 Mn2 O2 C1 -109.9(5) 2_665 .
O3 Mn2 O2 C1 -24.5(5) . .
O7 Mn2 O2 C1 -121.6(5) 2_665 .
C21 Mn2 O2 C1 -112.4(5) 2_665 .
O10 Mn2 O2 Mn1 -52.87(10) 2_675 .
O6 Mn2 O2 Mn1 36.86(9) 1_655 .
O8 Mn2 O2 Mn1 129.76(9) 2_665 .
O3 Mn2 O2 Mn1 -144.84(10) . .
O7 Mn2 O2 Mn1 118.1(2) 2_665 .
C21 Mn2 O2 Mn1 127.26(11) 2_665 .
O1 Mn1 O2 C1 -4.6(2) 2_686 .
O9 Mn1 O2 C1 -94.5(2) 2_675 .
O4 Mn1 O2 C1 77.6(2) . .
O5 Mn1 O2 C1 172.7(2) 1_655 .
O6 Mn1 O2 C1 168.2(2) 1_655 .
O1 Mn1 O2 C1 -3.22(18) . .
O1 Mn1 O2 Mn2 153.71(11) 2_686 .
O9 Mn1 O2 Mn2 63.81(10) 2_675 .
O4 Mn1 O2 Mn2 -124.11(11) . .
O5 Mn1 O2 Mn2 -28.96(15) 1_655 .
O6 Mn1 O2 Mn2 -33.50(9) 1_655 .
O1 Mn1 O2 Mn2 155.10(13) . .
Mn1 O1 C1 O2 -171.8(13) 2_686 .
Mn1 O1 C1 O2 -5.5(3) . .
Mn1 O1 C1 C2 7.4(17) 2_686 .
Mn1 O1 C1 C2 173.6(3) . .
Mn2 O2 C1 O1 -113.9(4) . .
Mn1 O2 C1 O1 6.0(3) . .
Mn2 O2 C1 C2 67.0(6) . .
Mn1 O2 C1 C2 -173.1(2) . .
O1 C1 C2 C7 13.6(5) . .
O2 C1 C2 C7 -167.3(3) . .
O1 C1 C2 C3 -165.3(3) . .
O2 C1 C2 C3 13.8(5) . .
C7 C2 C3 C4 -0.5(5) . .
C1 C2 C3 C4 178.4(3) . .
C2 C3 C4 C5 1.4(5) . .
C2 C3 C4 C9 178.5(3) . .
C3 C4 C5 C6 -0.4(5) . .
C9 C4 C5 C6 -177.6(3) . .
C4 C5 C6 C7 -1.5(5) . .
C4 C5 C6 C8 177.1(3) . .
C3 C2 C7 C6 -1.4(5) . .
C1 C2 C7 C6 179.7(3) . .
C5 C6 C7 C2 2.4(5) . .
C8 C6 C7 C2 -176.2(3) . .
Mn1 O5 C8 O6 2.9(4) 1_455 .
Mn1 O5 C8 C6 -175.9(3) 1_455 .
Mn2 O6 C8 O5 87.3(4) 1_455 .
Mn1 O6 C8 O5 -2.6(4) 1_455 .
Mn2 O6 C8 C6 -93.9(4) 1_455 .
Mn1 O6 C8 C6 176.2(3) 1_455 .
C5 C6 C8 O5 171.5(3) . .
C7 C6 C8 O5 -10.0(5) . .
C5 C6 C8 O6 -7.3(5) . .
C7 C6 C8 O6 171.3(3) . .
C3 C4 C9 C14 142.2(3) . .
C5 C4 C9 C14 -40.7(5) . .
C3 C4 C9 C10 -38.9(4) . .
C5 C4 C9 C10 138.2(3) . .
C14 C9 C10 C11 1.1(4) . .
C4 C9 C10 C11 -177.9(3) . .
C9 C10 C11 C12 -1.5(4) . .
C9 C10 C11 C15 176.7(3) . .
C10 C11 C12 C13 -0.3(4) . .
C15 C11 C12 C13 -178.5(3) . .
C11 C12 C13 C14 2.5(5) . .
C10 C9 C14 C13 1.1(4) . .
C4 C9 C14 C13 -179.9(3) . .
C12 C13 C14 C9 -2.9(5) . .
C10 C11 C15 C20 163.0(3) . .
C12 C11 C15 C20 -18.9(4) . .
C10 C11 C15 C16 -17.1(4) . .
C12 C11 C15 C16 161.0(3) . .
C20 C15 C16 C17 0.5(4) . .
C11 C15 C16 C17 -179.4(3) . .
C15 C16 C17 C18 0.8(4) . .
C15 C16 C17 C22 178.4(3) . .
C16 C17 C18 C19 -1.2(4) . .
C22 C17 C18 C19 -178.9(3) . .
C17 C18 C19 C20 0.4(4) . .
C17 C18 C19 C21 -179.8(3) . .
C18 C19 C20 C15 0.8(4) . .
C21 C19 C20 C15 -179.0(3) . .
C16 C15 C20 C19 -1.2(4) . .
C11 C15 C20 C19 178.6(3) . .
Mn2 O7 C21 O8 1.1(3) 2_665 .
Mn2 O7 C21 C19 -179.7(2) 2_665 .
Mn2 O8 C21 O7 -1.2(3) 2_665 .
Mn2 O8 C21 C19 179.6(2) 2_665 .
C18 C19 C21 O7 -174.0(3) . .
C20 C19 C21 O7 5.8(4) . .
C18 C19 C21 O8 5.2(4) . .
C20 C19 C21 O8 -175.0(3) . .
C18 C19 C21 Mn2 9(3) . 2_665
C20 C19 C21 Mn2 -171(2) . 2_665
Mn1 O9 C22 O10 -37.8(5) 2_675 .
Mn1 O9 C22 C17 139.7(2) 2_675 .
Mn2 O10 C22 O9 -1.0(4) 2_675 .
Mn2 O10 C22 C17 -178.44(19) 2_675 .
C16 C17 C22 O9 -161.6(3) . .
C18 C17 C22 O9 16.0(4) . .
C16 C17 C22 O10 16.0(4) . .
C18 C17 C22 O10 -166.3(3) . .
