#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:20:05 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268635 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/30/7243047.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_7243047
loop_
_publ_author_name
'Zhou, Chuan-Cong'
'Liu, Hou-Ting'
'Ding, Li'
'Lu, Jing'
'Wang, Su-Na'
'Li, Yun-Wu'
_publ_section_title
;
 Proton conductivities of four low dimensional MOFs: affected by the
 amount of chelated ligands
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5106
_journal_page_last               5115
_journal_paper_doi               10.1039/D1CE00589H
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C52 H28 Mn3 N6 O12'
_chemical_formula_sum            'C52 H28 Mn3 N6 O12'
_chemical_formula_weight         1093.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-04-30 deposited with the CCDC.	2021-06-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.978(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6330(6)
_cell_length_b                   25.6233(11)
_cell_length_c                   10.1786(6)
_cell_measurement_reflns_used    3242
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.8530
_cell_measurement_theta_min      5.0230
_cell_volume                     2457.7(2)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_unetI/netI     0.0618
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8917
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.242
_diffrn_reflns_theta_max         67.242
_diffrn_reflns_theta_min         3.450
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    6.769
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53648
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_description       block
_exptl_crystal_F_000             1106
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.885
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         4377
_refine_ls_number_restraints     972
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0708
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1113P)²+4.4671P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1950
_refine_ls_wR_factor_ref         0.2117
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3351
_reflns_number_total             4377
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00589h2.cif
_cod_data_source_block           exp_11770
_cod_depositor_comments
'Adding full bibliography for 7243047--7243050.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7243047
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.345
_shelx_estimated_absorpt_t_max   0.551
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 1.000000 0.000000 0.500000 0.0263(3) Uani 1 2 d S U P . .
Mn2 Mn 0.97995(8) 0.12076(3) 0.64494(8) 0.0327(3) Uani 1 1 d . U . . .
N1 N 0.9925(7) 0.1968(3) 0.7496(8) 0.0802(18) Uani 1 1 d . U . . .
N2 N 0.9303(7) 0.1828(2) 0.4818(8) 0.0736(16) Uani 1 1 d . U . . .
N3 N 0.3418(9) -0.0650(3) 0.0009(6) 0.0790(19) Uani 1 1 d . U . . .
O1 O 0.8032(4) 0.04044(18) 0.4615(5) 0.0510(11) Uani 1 1 d . U . . .
O2 O 0.7631(4) 0.10043(17) 0.6049(5) 0.0513(10) Uani 1 1 d . U . . .
O3 O 0.0919(4) 0.07857(14) 0.5145(4) 0.0352(8) Uani 1 1 d . U . . .
O4 O 0.2443(5) 0.1335(2) 0.6287(5) 0.0633(14) Uani 1 1 d . U . . .
O5 O 0.0552(5) 0.07830(19) -0.1785(4) 0.0540(11) Uani 1 1 d . U . . .
O6 O 0.0264(5) 0.00227(19) -0.2854(4) 0.0542(11) Uani 1 1 d . U . . .
C1 C 0.3241(5) 0.07981(19) 0.4685(5) 0.0291(10) Uani 1 1 d . U . . .
C2 C 0.4675(5) 0.08531(19) 0.5217(5) 0.0299(10) Uani 1 1 d . U . . .
H2 H 0.497570 0.103937 0.600949 0.036 Uiso 1 1 calc R U . . .
C3 C 0.5664(5) 0.06311(19) 0.4574(5) 0.0294(10) Uani 1 1 d . U . . .
C4 C 0.5210(5) 0.0367(2) 0.3369(5) 0.0320(11) Uani 1 1 d . U . . .
H4 H 0.587223 0.020977 0.294920 0.038 Uiso 1 1 calc R U . . .
C5 C 0.3782(5) 0.0336(2) 0.2791(5) 0.0315(11) Uani 1 1 d . U . . .
C6 C 0.2797(5) 0.0544(2) 0.3466(5) 0.0312(11) Uani 1 1 d . U . . .
H6 H 0.183283 0.051347 0.309789 0.037 Uiso 1 1 calc R U . . .
C7 C 0.2156(6) 0.0992(2) 0.5435(6) 0.0365(12) Uani 1 1 d . U . . .
C8 C 0.7226(5) 0.0679(2) 0.5132(6) 0.0368(12) Uani 1 1 d . U . . .
C9 C 0.3276(6) 0.0077(2) 0.1474(5) 0.0382(12) Uani 1 1 d . U . . .
C10 C 0.2247(6) 0.0304(2) 0.0477(5) 0.0371(12) Uani 1 1 d . U . . .
H10 H 0.186320 0.062579 0.062883 0.045 Uiso 1 1 calc R U . . .
C11 C 0.1793(6) 0.0054(2) -0.0734(5) 0.0425(13) Uani 1 1 d . U . . .
C12 C 0.2389(9) -0.0427(3) -0.0904(7) 0.0649(18) Uani 1 1 d . U . . .
H12 H 0.205178 -0.060540 -0.170123 0.078 Uiso 1 1 calc R U . . .
C13 C 0.3837(9) -0.0392(3) 0.1166(7) 0.0622(18) Uani 1 1 d . U . . .
H13 H 0.455876 -0.053934 0.180896 0.075 Uiso 1 1 calc R U . . .
C14 C 0.0774(6) 0.0307(3) -0.1874(5) 0.0421(13) Uani 1 1 d . U . . .
C15 C 0.8951(10) 0.1733(4) 0.3486(11) 0.092(2) Uani 1 1 d . U . . .
H15 H 0.892883 0.139022 0.318314 0.111 Uiso 1 1 calc R U . . .
C16 C 0.8618(14) 0.2136(5) 0.2551(15) 0.126(3) Uani 1 1 d . U . . .
H16 H 0.836131 0.206255 0.163783 0.152 Uiso 1 1 calc R U . . .
C17 C 0.8671(14) 0.2608(5) 0.2974(16) 0.124(3) Uani 1 1 d . U . . .
H17 H 0.843735 0.287153 0.233787 0.149 Uiso 1 1 calc R U . . .
C18 C 0.9039(13) 0.2749(4) 0.4265(16) 0.113(3) Uani 1 1 d . U . . .
C19 C 0.9065(16) 0.3241(5) 0.4749(18) 0.137(3) Uani 1 1 d . U . . .
H19 H 0.880579 0.351782 0.415702 0.165 Uiso 1 1 calc R U . . .
C20 C 0.9438(14) 0.3333(4) 0.6004(17) 0.123(3) Uani 1 1 d . U . . .
H20 H 0.955067 0.367931 0.628110 0.148 Uiso 1 1 calc R U . . .
C21 C 0.9701(15) 0.2925(5) 0.7037(17) 0.127(3) Uani 1 1 d . U . . .
C22 C 1.0098(16) 0.2945(6) 0.8417(18) 0.139(3) Uani 1 1 d . U . . .
H22 H 1.016203 0.328307 0.875431 0.167 Uiso 1 1 calc R U . . .
C23 C 1.0425(16) 0.2563(6) 0.9420(17) 0.139(4) Uani 1 1 d . U . . .
H23 H 1.069998 0.263550 1.033190 0.167 Uiso 1 1 calc R U . . .
C24 C 1.0276(12) 0.2020(5) 0.8836(13) 0.111(3) Uani 1 1 d . U . . .
H24 H 1.042448 0.172802 0.939103 0.133 Uiso 1 1 calc R U . . .
C25 C 0.9662(10) 0.2391(3) 0.6638(14) 0.095(2) Uani 1 1 d . U . . .
C26 C 0.9341(10) 0.2316(3) 0.5241(13) 0.091(2) Uani 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -0.5299 2.8052 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
_geom_angle_publ_flag
O1 Mn1 O1 180.0 . 3_756 ?
O1 Mn1 O6 84.98(18) . 3_655 ?
O1 Mn1 O6 95.02(18) 3_756 3_655 ?
O1 Mn1 O6 95.02(18) . 1_656 ?
O1 Mn1 O6 84.98(18) 3_756 1_656 ?
O6 Mn1 O6 180.0 3_655 1_656 ?
O1 Mn1 O3 84.07(15) . 1_655 ?
O1 Mn1 O3 95.93(15) 3_756 1_655 ?
O6 Mn1 O3 93.12(16) 3_655 1_655 ?
O6 Mn1 O3 86.88(16) 1_656 1_655 ?
O1 Mn1 O3 95.93(15) . 3_656 ?
O1 Mn1 O3 84.07(15) 3_756 3_656 ?
O6 Mn1 O3 86.88(16) 3_655 3_656 ?
O6 Mn1 O3 93.12(16) 1_656 3_656 ?
O3 Mn1 O3 180.00(7) 1_655 3_656 ?
O5 Mn2 O2 100.94(19) 1_656 . ?
O5 Mn2 O3 97.98(17) 1_656 1_655 ?
O2 Mn2 O3 110.95(16) . 1_655 ?
O5 Mn2 N1 94.0(3) 1_656 . ?
O2 Mn2 N1 105.3(2) . . ?
O3 Mn2 N1 138.6(2) 1_655 . ?
O5 Mn2 N2 166.0(2) 1_656 . ?
O2 Mn2 N2 89.0(2) . . ?
O3 Mn2 N2 87.5(2) 1_655 . ?
N1 Mn2 N2 73.7(3) . . ?
C24 N1 C25 122.7(9) . . ?
C24 N1 Mn2 123.6(7) . . ?
C25 N1 Mn2 113.7(6) . . ?
C26 N2 C15 118.8(9) . . ?
C26 N2 Mn2 115.8(7) . . ?
C15 N2 Mn2 125.4(6) . . ?
C13 N3 C12 116.3(6) . . ?
C8 O1 Mn1 144.1(4) . . ?
C8 O2 Mn2 116.8(4) . . ?
C7 O3 Mn2 102.1(3) . 1_455 ?
C7 O3 Mn1 137.6(3) . 1_455 ?
Mn2 O3 Mn1 104.75(15) 1_455 1_455 ?
C14 O5 Mn2 118.7(4) . 1_454 ?
C14 O6 Mn1 140.5(4) . 1_454 ?
C2 C1 C6 119.8(5) . . ?
C2 C1 C7 120.7(4) . . ?
C6 C1 C7 119.5(4) . . ?
C1 C2 C3 120.1(5) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 119.7(4) . . ?
C2 C3 C8 121.4(5) . . ?
C4 C3 C8 118.8(5) . . ?
C5 C4 C3 120.5(5) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 119.3(5) . . ?
C4 C5 C9 121.4(5) . . ?
C6 C5 C9 119.2(5) . . ?
C1 C6 C5 120.4(5) . . ?
C1 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
O4 C7 O3 121.4(5) . . ?
O4 C7 C1 121.3(5) . . ?
O3 C7 C1 117.3(4) . . ?
O1 C8 O2 124.6(5) . . ?
O1 C8 C3 117.3(5) . . ?
O2 C8 C3 118.0(5) . . ?
C13 C9 C10 116.9(5) . . ?
C13 C9 C5 121.6(5) . . ?
C10 C9 C5 121.5(5) . . ?
C11 C10 C9 120.3(5) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 117.5(6) . . ?
C10 C11 C14 121.8(5) . . ?
C12 C11 C14 120.5(5) . . ?
N3 C12 C11 124.1(6) . . ?
N3 C12 H12 117.9 . . ?
C11 C12 H12 117.9 . . ?
N3 C13 C9 124.7(6) . . ?
N3 C13 H13 117.6 . . ?
C9 C13 H13 117.6 . . ?
O5 C14 O6 125.7(6) . . ?
O5 C14 C11 117.4(5) . . ?
O6 C14 C11 116.8(6) . . ?
N2 C15 C16 121.8(11) . . ?
N2 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C17 C16 C15 118.8(15) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C16 C17 C18 124.7(13) . . ?
C16 C17 H17 117.7 . . ?
C18 C17 H17 117.7 . . ?
C17 C18 C19 126.3(14) . . ?
C17 C18 C26 115.6(11) . . ?
C19 C18 C26 118.0(15) . . ?
C20 C19 C18 121.2(15) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C19 C20 C21 123.9(12) . . ?
C19 C20 H20 118.1 . . ?
C21 C20 H20 118.1 . . ?
C22 C21 C25 108.1(14) . . ?
C22 C21 C20 132.4(13) . . ?
C25 C21 C20 119.3(14) . . ?
C21 C22 C23 133.6(14) . . ?
C21 C22 H22 113.2 . . ?
C23 C22 H22 113.2 . . ?
C22 C23 C24 111.6(13) . . ?
C22 C23 H23 124.2 . . ?
C24 C23 H23 124.2 . . ?
N1 C24 C23 118.3(13) . . ?
N1 C24 H24 120.8 . . ?
C23 C24 H24 120.8 . . ?
N1 C25 C26 120.4(8) . . ?
N1 C25 C21 125.6(12) . . ?
C26 C25 C21 114.0(12) . . ?
N2 C26 C25 116.4(9) . . ?
N2 C26 C18 120.3(12) . . ?
C25 C26 C18 123.3(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mn1 O1 2.124(4) . ?
Mn1 O1 2.124(4) 3_756 ?
Mn1 O6 2.147(4) 3_655 ?
Mn1 O6 2.147(4) 1_656 ?
Mn1 O3 2.192(3) 1_655 ?
Mn1 O3 2.192(3) 3_656 ?
Mn2 O5 2.097(4) 1_656 ?
Mn2 O2 2.109(4) . ?
Mn2 O3 2.165(4) 1_655 ?
Mn2 N1 2.212(6) . ?
Mn2 N2 2.276(7) . ?
N1 C24 1.342(13) . ?
N1 C25 1.382(13) . ?
N2 C26 1.321(11) . ?
N2 C15 1.349(12) . ?
N3 C13 1.338(9) . ?
N3 C12 1.339(9) . ?
O1 C8 1.243(7) . ?
O2 C8 1.251(7) . ?
O3 C7 1.282(6) . ?
O4 C7 1.224(7) . ?
O5 C14 1.246(8) . ?
O6 C14 1.250(7) . ?
C1 C2 1.382(7) . ?
C1 C6 1.387(7) . ?
C1 C7 1.502(7) . ?
C2 C3 1.386(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.389(7) . ?
C3 C8 1.499(7) . ?
C4 C5 1.381(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.388(7) . ?
C5 C9 1.485(7) . ?
C6 H6 0.9300 . ?
C9 C13 1.380(9) . ?
C9 C10 1.391(8) . ?
C10 C11 1.377(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.385(9) . ?
C11 C14 1.501(8) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C15 C16 1.394(14) . ?
C15 H15 0.9300 . ?
C16 C17 1.283(18) . ?
C16 H16 0.9300 . ?
C17 C18 1.337(17) . ?
C17 H17 0.9300 . ?
C18 C19 1.352(17) . ?
C18 C26 1.478(15) . ?
C19 C20 1.275(18) . ?
C19 H19 0.9300 . ?
C20 C21 1.467(19) . ?
C20 H20 0.9300 . ?
C21 C22 1.38(2) . ?
C21 C25 1.426(14) . ?
C22 C23 1.40(2) . ?
C22 H22 0.9300 . ?
C23 C24 1.508(16) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.404(15) . ?
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
_geom_torsion_publ_flag
C6 C1 C2 C3 -3.5(7) . . . . ?
C7 C1 C2 C3 174.2(5) . . . . ?
C1 C2 C3 C4 2.0(7) . . . . ?
C1 C2 C3 C8 -179.4(5) . . . . ?
C2 C3 C4 C5 1.7(7) . . . . ?
C8 C3 C4 C5 -176.9(5) . . . . ?
C3 C4 C5 C6 -3.9(8) . . . . ?
C3 C4 C5 C9 177.1(5) . . . . ?
C2 C1 C6 C5 1.3(8) . . . . ?
C7 C1 C6 C5 -176.4(5) . . . . ?
C4 C5 C6 C1 2.4(8) . . . . ?
C9 C5 C6 C1 -178.6(5) . . . . ?
Mn2 O3 C7 O4 1.0(7) 1_455 . . . ?
Mn1 O3 C7 O4 -127.4(6) 1_455 . . . ?
Mn2 O3 C7 C1 -178.9(4) 1_455 . . . ?
Mn1 O3 C7 C1 52.7(7) 1_455 . . . ?
C2 C1 C7 O4 22.9(8) . . . . ?
C6 C1 C7 O4 -159.4(6) . . . . ?
C2 C1 C7 O3 -157.1(5) . . . . ?
C6 C1 C7 O3 20.6(7) . . . . ?
Mn1 O1 C8 O2 33.9(10) . . . . ?
Mn1 O1 C8 C3 -148.7(5) . . . . ?
Mn2 O2 C8 O1 13.3(7) . . . . ?
Mn2 O2 C8 C3 -164.1(4) . . . . ?
C2 C3 C8 O1 169.2(5) . . . . ?
C4 C3 C8 O1 -12.2(7) . . . . ?
C2 C3 C8 O2 -13.3(7) . . . . ?
C4 C3 C8 O2 165.4(5) . . . . ?
C4 C5 C9 C13 43.4(9) . . . . ?
C6 C5 C9 C13 -135.6(7) . . . . ?
C4 C5 C9 C10 -134.6(6) . . . . ?
C6 C5 C9 C10 46.4(8) . . . . ?
C13 C9 C10 C11 2.2(9) . . . . ?
C5 C9 C10 C11 -179.8(5) . . . . ?
C9 C10 C11 C12 0.6(9) . . . . ?
C9 C10 C11 C14 -174.8(5) . . . . ?
C13 N3 C12 C11 2.6(14) . . . . ?
C10 C11 C12 N3 -3.2(12) . . . . ?
C14 C11 C12 N3 172.3(8) . . . . ?
C12 N3 C13 C9 0.7(13) . . . . ?
C10 C9 C13 N3 -3.0(12) . . . . ?
C5 C9 C13 N3 179.0(7) . . . . ?
Mn2 O5 C14 O6 -19.8(9) 1_454 . . . ?
Mn2 O5 C14 C11 157.4(4) 1_454 . . . ?
Mn1 O6 C14 O5 49.5(10) 1_454 . . . ?
Mn1 O6 C14 C11 -127.6(6) 1_454 . . . ?
C10 C11 C14 O5 13.0(9) . . . . ?
C12 C11 C14 O5 -162.4(7) . . . . ?
C10 C11 C14 O6 -169.6(6) . . . . ?
C12 C11 C14 O6 15.0(9) . . . . ?
C26 N2 C15 C16 -0.4(15) . . . . ?
Mn2 N2 C15 C16 177.9(8) . . . . ?
N2 C15 C16 C17 1.1(19) . . . . ?
C15 C16 C17 C18 1(2) . . . . ?
C16 C17 C18 C19 -177.8(14) . . . . ?
C16 C17 C18 C26 -3(2) . . . . ?
C17 C18 C19 C20 -179.8(15) . . . . ?
C26 C18 C19 C20 5(2) . . . . ?
C18 C19 C20 C21 -8(3) . . . . ?
C19 C20 C21 C22 -179.7(16) . . . . ?
C19 C20 C21 C25 6(2) . . . . ?
C25 C21 C22 C23 -1(2) . . . . ?
C20 C21 C22 C23 -176.1(15) . . . . ?
C21 C22 C23 C24 -1(2) . . . . ?
C25 N1 C24 C23 -1.6(15) . . . . ?
Mn2 N1 C24 C23 175.7(8) . . . . ?
C22 C23 C24 N1 2.6(17) . . . . ?
C24 N1 C25 C26 178.0(9) . . . . ?
Mn2 N1 C25 C26 0.4(11) . . . . ?
C24 N1 C25 C21 -1.1(16) . . . . ?
Mn2 N1 C25 C21 -178.7(9) . . . . ?
C22 C21 C25 N1 2.3(17) . . . . ?
C20 C21 C25 N1 178.2(10) . . . . ?
C22 C21 C25 C26 -176.9(11) . . . . ?
C20 C21 C25 C26 -1.0(16) . . . . ?
C15 N2 C26 C25 177.7(8) . . . . ?
Mn2 N2 C26 C25 -0.8(11) . . . . ?
C15 N2 C26 C18 -1.6(13) . . . . ?
Mn2 N2 C26 C18 179.9(7) . . . . ?
N1 C25 C26 N2 0.3(14) . . . . ?
C21 C25 C26 N2 179.5(9) . . . . ?
N1 C25 C26 C18 179.6(9) . . . . ?
C21 C25 C26 C18 -1.2(15) . . . . ?
C17 C18 C26 N2 3.1(16) . . . . ?
C19 C18 C26 N2 178.7(11) . . . . ?
C17 C18 C26 C25 -176.2(11) . . . . ?
C19 C18 C26 C25 -0.5(17) . . . . ?
