#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:03:02 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236787 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/70/7237064.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_7237064
loop_
_publ_author_name
'Su, Feng'
'Zhou, Cheng-Yong'
'Han, Chun'
'Wu, Lin-Tao'
'Wu, Xi'
'Sun, Long'
'Su, Jing'
'Feng, Si-Si'
'Lu, Li-Ping'
'Zhu, Miao-Li'
_publ_section_title
;
 Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable
 N-donor ligands: syntheses, structures, and magnetic properties
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              1818
_journal_paper_doi               10.1039/C8CE00058A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C13 H5 Mn N O4'
_chemical_formula_sum            'C13 H5 Mn N O4'
_chemical_formula_weight         294.12
_space_group_crystal_system      orthorhombic
_space_group_IT_number           67
_space_group_name_Hall           '-C 2a 2'
_space_group_name_H-M_alt        'C m m a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-11-20 deposited with the CCDC.
2018-02-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   12.783(3)
_cell_length_b                   41.280(8)
_cell_length_c                   8.1610(16)
_cell_measurement_reflns_used    7692
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      2.49
_cell_volume                     4306.4(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker photon 100'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7086
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.496
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.234
_exptl_absorpt_correction_T_max  0.887
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_description       plate
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.039
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.155
_refine_ls_extinction_coef       0.0107(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2015)'
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         2118
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1659P)²+4.7300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2047
_refine_ls_wR_factor_ref         0.2418
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1388
_reflns_number_total             2118
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00058a2.cif
_cod_data_source_block           b-zs14-67
_cod_original_sg_symbol_Hall     '-C 2b 2'
_cod_database_code               7237064
_shelx_shelxl_version_number     2016/6
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z'
'x, -y, -z'
'-x, y+1/2, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1, -z'
'-x, -y, -z'
'x, y-1/2, -z'
'-x, y, z'
'x, -y-1/2, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z'
'-x+1/2, y+1/2, z'
'x+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Mn1 Mn 0.000000 0.09979(2) 1.00069(5) 0.0140(4) Uani 1 2 d S T P
Mn2 Mn -0.250000 0.15022(2) 1.000000 0.0140(4) Uani 1 2 d S T P
N1 N 0.000000 0.06223(7) 1.1975(3) 0.0144(7) Uani 1 2 d S T P
C1 C 0.000000 0.06941(9) 1.3582(4) 0.0162(9) Uani 1 2 d S T P
H1 H 0.000000 0.091058 1.389763 0.019 Uiso 1 2 calc R U P
C2 C 0.000000 0.04558(12) 1.4790(5) 0.0156(10) Uani 1 2 d S T P
H2 H 0.000000 0.051490 1.588954 0.019 Uiso 1 2 calc R U P
C3 C 0.000000 0.01318(8) 1.4362(4) 0.0131(8) Uani 1 2 d S T P
C4 C 0.000000 0.00585(11) 1.2711(5) 0.0204(10) Uani 1 2 d S T P
H4 H 0.000000 -0.015660 1.237279 0.025 Uiso 1 2 calc R U P
C5 C 0.000000 0.03061(9) 1.1552(4) 0.0227(10) Uani 1 2 d S T P
H5 H 0.000000 0.025159 1.044594 0.027 Uiso 1 2 calc R U P
O1 O 0.12698(16) 0.07571(4) 0.8861(2) 0.0184(6) Uani 1 1 d . . .
O2 O 0.23984(15) 0.11498(6) 0.8145(3) 0.0177(6) Uani 1 1 d . . .
O3 O 0.000000 0.13509(7) 0.8144(4) 0.0228(8) Uani 1 2 d S T P
O4 O -0.1205(3) 0.17482(9) 0.8888(4) 0.0199(9) Uani 0.5 1 d . . P
O5 O 0.000000 0.13484(8) 0.1850(4) 0.0240(8) Uani 1 2 d S T P
O6 O 0.1244(3) 0.17375(9) 0.1172(4) 0.0200(9) Uani 0.5 1 d . . P
N2 N -0.2527(2) 0.18804(9) 0.8026(4) 0.0133(12) Uani 0.5 1 d G . P
C6 C -0.2512(3) 0.17991(7) 0.6373(5) 0.0153(13) Uani 0.5 1 d G U P
C7 C -0.2501(3) 0.20415(9) 0.5191(4) 0.0175(14) Uani 0.5 1 d G . P
C8 C -0.2505(3) 0.23651(8) 0.5661(4) 0.0132(12) Uani 0.5 1 d G . P
C9 C -0.2520(3) 0.24464(8) 0.7314(4) 0.026(2) Uani 0.5 1 d G . P
C10 C -0.2531(3) 0.22040(9) 0.8496(3) 0.0253(17) Uani 0.5 1 d G . P
C11 C 0.1962(2) 0.08812(6) 0.7942(3) 0.0149(7) Uani 1 1 d . . .
C12 C 0.2277(2) 0.06902(8) 0.6436(3) 0.0151(7) Uani 1 1 d . . .
C13 C 0.250000 0.08604(13) 0.500000 0.0186(12) Uani 1 2 d S T P
H13 H 0.249999 0.108564 0.499999 0.022 Uiso 1 2 calc R U P
C14 C 0.2277(2) 0.03532(8) 0.6429(3) 0.0146(7) Uani 1 1 d . . .
H14 H 0.212579 0.024160 0.739061 0.018 Uiso 1 1 calc R U .
C15 C 0.250000 0.01793(12) 0.500000 0.0158(11) Uani 1 2 d S T P
C16 C -0.0534(4) 0.16203(12) 0.7954(6) 0.0139(11) Uani 0.5 1 d . . P
C17 C 0.000000 0.18124(14) 0.6448(6) 0.0446(14) Uani 1 2 d S TU P
C18 C 0.000000 0.16384(13) 0.5015(3) 0.0146(11) Uani 1 2 d S T P
H18 H 0.000000 0.141310 0.502283 0.017 Uiso 1 2 calc R U P
C19 C 0.000000 0.18087(14) 0.3568(6) 0.0475(15) Uani 1 2 d S TU P
C20 C 0.0550(4) 0.16151(12) 0.2065(6) 0.0136(11) Uani 0.5 1 d . . P
C21 C 0.000000 0.21446(14) 0.3572(6) 0.0437(14) Uani 1 2 d S TU P
H21 H 0.000000 0.225369 0.257513 0.052 Uiso 1 2 calc R U P
C22 C 0.000000 0.23214(13) 0.4992(4) 0.0163(11) Uani 1 2 d S T P
C23 C 0.000000 0.21493(14) 0.6424(6) 0.0435(14) Uani 1 2 d S TU P
H23 H 0.000000 0.226104 0.741369 0.052 Uiso 1 2 calc R U P
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
O5 Mn1 O3 92.34(15) 1_556 .
O5 Mn1 O1 129.99(5) 1_556 11
O3 Mn1 O1 90.35(8) . 11
O5 Mn1 O1 129.99(5) 1_556 .
O3 Mn1 O1 90.35(8) . .
O1 Mn1 O1 99.89(10) 11 .
O5 Mn1 N1 87.87(12) 1_556 .
O3 Mn1 N1 179.78(11) . .
O1 Mn1 N1 89.51(7) 11 .
O1 Mn1 N1 89.51(7) . .
O2 Mn2 O2 92.49(14) 11 14_457
O2 Mn2 O6 126.77(12) 11 11_556
O2 Mn2 O6 92.25(12) 14_457 11_556
O2 Mn2 O6 92.25(12) 11 14_456
O2 Mn2 O6 126.77(12) 14_457 14_456
O6 Mn2 O6 125.1(2) 11_556 14_456
O2 Mn2 O4 132.83(12) 11 8_447
O2 Mn2 O4 88.58(12) 14_457 8_447
O6 Mn2 O4 100.27(17) 11_556 8_447
O6 Mn2 O4 52.05(16) 14_456 8_447
O2 Mn2 O4 88.58(12) 11 .
O2 Mn2 O4 132.83(12) 14_457 .
O6 Mn2 O4 52.05(16) 11_556 .
O6 Mn2 O4 100.27(17) 14_456 .
O4 Mn2 O4 123.5(2) 8_447 .
O2 Mn2 N2 88.02(14) 11 .
O2 Mn2 N2 175.58(9) 14_457 .
O6 Mn2 N2 90.96(13) 11_556 .
O6 Mn2 N2 48.81(13) 14_456 .
O4 Mn2 N2 87.86(13) 8_447 .
O4 Mn2 N2 51.56(13) . .
O2 Mn2 N2 175.58(9) 11 8_447
O2 Mn2 N2 88.02(14) 14_457 8_447
O6 Mn2 N2 48.81(13) 11_556 8_447
O6 Mn2 N2 90.96(13) 14_456 8_447
O4 Mn2 N2 51.56(13) 8_447 8_447
O4 Mn2 N2 87.86(13) . 8_447
N2 Mn2 N2 91.8(2) . 8_447
C1 N1 C5 117.6(3) . .
C1 N1 Mn1 123.3(2) . .
C5 N1 Mn1 119.2(2) . .
N1 C1 C2 122.3(4) . .
N1 C1 H1 118.8 . .
C2 C1 H1 118.8 . .
C3 C2 C1 120.3(3) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C4 C3 C2 117.3(3) . .
C4 C3 C3 121.1(4) . 9_558
C2 C3 C3 121.6(4) . 9_558
C3 C4 C5 120.2(4) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
N1 C5 C4 122.4(3) . .
N1 C5 H5 118.8 . .
C4 C5 H5 118.8 . .
C11 O1 Mn1 127.27(16) . .
C11 O2 Mn2 137.3(2) . 14_557
C16 O3 C16 62.5(5) 11 .
C16 O3 Mn1 132.1(3) 11 .
C16 O3 Mn1 132.1(3) . .
C16 O4 Mn2 125.6(3) . .
C20 O5 C20 64.5(5) . 11
C20 O5 Mn1 132.4(3) . 1_554
C20 O5 Mn1 132.4(3) 11 1_554
C20 O6 N2 122.5(3) . 14_556
C20 O6 Mn2 128.1(3) . 14_556
N2 O6 Mn2 69.57(15) 14_556 14_556
C6 N2 C10 120.0 . .
C6 N2 O6 106.6(2) . 14_456
C10 N2 O6 102.2(2) . 14_456
C6 N2 Mn2 121.91(19) . .
C10 N2 Mn2 118.07(19) . .
O6 N2 Mn2 61.61(14) 14_456 .
N2 C6 C7 120.0 . .
N2 C6 C7 127.95(13) . 8_446
C7 C7 C8 106.0 8_446 .
C7 C7 C6 134.0 8_446 .
C8 C7 C6 120.0 . .
C7 C7 C8 62.5(2) 8_446 8_446
C6 C7 C8 163.5(2) . 8_446
C8 C7 C6 144.11(16) . 8_446
C6 C7 C6 95.89(16) . 8_446
C8 C7 C6 100.6(3) 8_446 8_446
C8 C8 C8 90.0 8_446 12_565
C8 C8 C7 74.0 8_446 .
C8 C8 C7 164.0 12_565 .
C8 C8 C9 166.0 8_446 .
C8 C8 C9 76.0 12_565 .
C7 C8 C9 120.0 . .
C8 C8 C7 62.51(19) 8_446 8_446
C8 C8 C7 152.50(19) 12_565 8_446
C9 C8 C7 131.46(19) . 8_446
C8 C8 C8 45.9(4) 8_446 13_456
C7 C8 C8 119.9(4) . 13_456
C9 C8 C8 120.1(4) . 13_456
C7 C8 C8 108.4(5) 8_446 13_456
C8 C8 C9 150.0(2) 8_446 12_565
C8 C8 C9 60.0(2) 12_565 12_565
C7 C8 C9 136.0(2) . 12_565
C7 C8 C9 147.5(3) 8_446 12_565
C8 C8 C9 104.1(5) 13_456 12_565
C9 C9 C8 104.0 12_565 .
C9 C9 C10 136.0 12_565 .
C8 C9 C10 120.0 . .
C9 C9 C8 60.0(2) 12_565 12_565
C10 C9 C8 163.9(2) . 12_565
C8 C9 C10 137.74(14) . 12_565
C10 C9 C10 102.26(14) . 12_565
C8 C9 C10 93.8(3) 12_565 12_565
C9 C10 N2 120.0 . .
N2 C10 C9 130.20(12) . 12_565
O2 C11 O1 126.2(2) . .
O2 C11 C12 116.8(2) . .
O1 C11 C12 117.1(2) . .
C14 C12 C13 120.0(3) . .
C14 C12 C11 121.6(3) . .
C13 C12 C11 118.3(3) . .
C12 C13 C12 119.6(5) . 8_546
C12 C13 H13 120.2 . .
C12 C13 H13 120.2 8_546 .
C12 C14 C15 121.1(3) . .
C12 C14 H14 119.5 . .
C15 C14 H14 119.5 . .
C14 C15 C14 118.3(4) 8_546 .
C14 C15 C15 120.9(2) 8_546 6_545
C14 C15 C15 120.9(2) . 6_545
O4 C16 O3 129.4(4) . .
O4 C16 C16 132.8(3) . 11
O3 C16 C16 58.7(2) . 11
O4 C16 C17 122.8(4) . .
O3 C16 C17 106.6(4) . .
C16 C16 C17 65.0(2) 11 .
C18 C17 C23 120.8(5) . .
C18 C17 C16 113.1(4) . .
C23 C17 C16 120.1(4) . .
C18 C17 C16 113.1(4) . 11
C23 C17 C16 120.1(4) . 11
C16 C17 C16 50.0(4) . 11
C17 C18 C19 117.7(5) . .
C17 C18 H18 121.2 . .
C19 C18 H18 121.2 . .
C18 C19 C21 120.6(5) . .
C18 C19 C20 113.4(4) . 11
C21 C19 C20 119.6(4) . 11
C18 C19 C20 113.4(4) . .
C21 C19 C20 119.6(4) . .
C20 C19 C20 51.3(4) 11 .
O6 C20 O5 129.5(5) . .
O6 C20 C20 135.0(3) . 11
O5 C20 C20 57.8(2) . 11
O6 C20 C19 123.1(4) . .
O5 C20 C19 106.3(4) . .
C20 C20 C19 64.3(2) 11 .
C22 C21 C19 122.3(5) . .
C22 C21 H21 118.8 . .
C19 C21 H21 118.8 . .
C23 C22 C21 116.5(5) . .
C23 C22 C22 121.3(3) . 2
C21 C22 C22 122.2(3) . 2
C22 C23 C17 122.1(4) . .
C22 C23 H23 119.0 . .
C17 C23 H23 119.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O5 2.087(3) 1_556
Mn1 O3 2.106(3) .
Mn1 O1 2.1206(19) 11
Mn1 O1 2.1206(19) .
Mn1 N1 2.232(3) .
Mn2 O2 2.104(3) 11
Mn2 O2 2.104(3) 14_457
Mn2 O6 2.106(4) 11_556
Mn2 O6 2.106(4) 14_456
Mn2 O4 2.144(4) 8_447
Mn2 O4 2.144(4) .
Mn2 N2 2.244(3) .
Mn2 N2 2.244(3) 8_447
N1 C1 1.344(4) .
N1 C5 1.350(5) .
C1 C2 1.393(6) .
C1 H1 0.9300 .
C2 C3 1.383(6) .
C2 H2 0.9300 .
C3 C4 1.380(5) .
C3 C3 1.506(6) 9_558
C4 C5 1.393(6) .
C4 H4 0.9300 .
C5 H5 0.9300 .
O1 C11 1.269(3) .
O2 C11 1.252(4) .
O3 C16 1.314(6) 11
O3 C16 1.314(6) .
O4 C16 1.263(6) .
O5 C20 1.318(6) .
O5 C20 1.318(6) 11
O6 C20 1.254(6) .
O6 N2 1.802(5) 14_556
N2 C6 1.3900 .
N2 C10 1.3900 .
C6 C7 1.3900 .
C6 C7 1.622(5) 8_446
C7 C7 0.311(6) 8_446
C7 C8 1.3900 .
C7 C8 1.506(3) 8_446
C8 C8 1.079(7) 8_446
C8 C8 1.114(7) 12_565
C8 C9 1.3900 .
C8 C8 1.551(6) 13_456
C8 C9 1.557(3) 12_565
C9 C9 0.443(6) 12_565
C9 C10 1.3900 .
C9 C10 1.736(7) 12_565
C11 C12 1.514(4) .
C12 C14 1.391(4) .
C12 C13 1.396(4) .
C13 H13 0.9300 .
C14 C15 1.399(4) .
C14 H14 0.9300 .
C15 C15 1.480(10) 6_545
C16 C16 1.364(10) 11
C16 C17 1.614(7) .
C17 C18 1.372(6) .
C17 C23 1.391(7) .
C18 C19 1.374(6) .
C18 H18 0.9300 .
C19 C21 1.386(7) .
C19 C20 1.625(7) 11
C19 C20 1.625(7) .
C20 C20 1.407(10) 11
C21 C22 1.370(7) .
C21 H21 0.9300 .
C22 C23 1.368(6) .
C22 C22 1.475(10) 2
C23 H23 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
C1 H1 O5 0.93 2.46 3.048(5) 121.2 1_556
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
C5 N1 C1 C2 0.000(2) . .
Mn1 N1 C1 C2 180.000(1) . .
N1 C1 C2 C3 0.000(2) . .
C1 C2 C3 C4 0.000(2) . .
C1 C2 C3 C3 180.000(1) . 9_558
C2 C3 C4 C5 0.000(1) . .
C3 C3 C4 C5 180.000(1) 9_558 .
C1 N1 C5 C4 0.000(1) . .
Mn1 N1 C5 C4 180.000(1) . .
C3 C4 C5 N1 0.000(1) . .
C10 N2 C6 C7 0.0 . .
O6 N2 C6 C7 115.2(2) 14_456 .
Mn2 N2 C6 C7 -178.3(2) . .
C10 N2 C6 C7 0.0(4) . 8_446
O6 N2 C6 C7 115.2(5) 14_456 8_446
Mn2 N2 C6 C7 -178.3(4) . 8_446
N2 C6 C7 C7 -180(2) . 8_446
N2 C6 C7 C8 0.0 . .
C7 C6 C7 C8 180(100) 8_446 .
N2 C6 C7 C8 -0.3(15) . 8_446
C7 C6 C7 C8 179(100) 8_446 8_446
N2 C6 C7 C6 -180.0(5) . 8_446
C7 C6 C7 C6 0(2) 8_446 8_446
C7 C7 C8 C8 -0.1(13) 8_446 8_446
C6 C7 C8 C8 -179.9(6) . 8_446
C6 C7 C8 C8 0.1(6) 8_446 8_446
C7 C7 C8 C8 -0.1(19) 8_446 12_565
C6 C7 C8 C8 -179.9 . 12_565
C8 C7 C8 C8 0.0(6) 8_446 12_565
C6 C7 C8 C8 0.1(9) 8_446 12_565
C7 C7 C8 C9 179.8(19) 8_446 .
C6 C7 C8 C9 0.0 . .
C8 C7 C8 C9 179.9(6) 8_446 .
C6 C7 C8 C9 180.0(9) 8_446 .
C6 C7 C8 C7 -179.8(19) . 8_446
C8 C7 C8 C7 0.1(13) 8_446 8_446
C6 C7 C8 C7 0.2(10) 8_446 8_446
C7 C7 C8 C8 -0.1(15) 8_446 13_456
C6 C7 C8 C8 -179.9(5) . 13_456
C8 C7 C8 C8 0.0(2) 8_446 13_456
C6 C7 C8 C8 0.1(8) 8_446 13_456
C7 C7 C8 C9 179.8(19) 8_446 12_565
C6 C7 C8 C9 0.0 . 12_565
C8 C7 C8 C9 179.9(6) 8_446 12_565
C6 C7 C8 C9 180.0(9) 8_446 12_565
C8 C8 C9 C9 0(2) 8_446 12_565
C8 C8 C9 C9 0.0 12_565 12_565
C7 C8 C9 C9 -180.0 . 12_565
C7 C8 C9 C9 -179.9(5) 8_446 12_565
C8 C8 C9 C9 -0.1(5) 13_456 12_565
C8 C8 C9 C10 180(100) 8_446 .
C8 C8 C9 C10 180.0 12_565 .
C7 C8 C9 C10 0.0 . .
C7 C8 C9 C10 0.1(5) 8_446 .
C8 C8 C9 C10 179.9(5) 13_456 .
C9 C8 C9 C10 180.0 12_565 .
C8 C8 C9 C8 0(2) 8_446 12_565
C7 C8 C9 C8 -180.0 . 12_565
C7 C8 C9 C8 -179.9(5) 8_446 12_565
C8 C8 C9 C8 -0.1(5) 13_456 12_565
C9 C8 C9 C8 0.0 12_565 12_565
C8 C8 C9 C10 0(2) 8_446 12_565
C8 C8 C9 C10 0.0 12_565 12_565
C7 C8 C9 C10 -179.9 . 12_565
C7 C8 C9 C10 -179.9(5) 8_446 12_565
C8 C8 C9 C10 -0.1(5) 13_456 12_565
C9 C8 C9 C10 0.0 12_565 12_565
C9 C9 C10 N2 180.0 12_565 .
C8 C9 C10 N2 0.0 . .
C8 C9 C10 N2 0.1 12_565 .
C10 C9 C10 N2 180.0 12_565 .
C8 C9 C10 C9 -180.0 . 12_565
C8 C9 C10 C9 -180(100) 12_565 12_565
C10 C9 C10 C9 0.0 12_565 12_565
C6 N2 C10 C9 0.0 . .
O6 N2 C10 C9 -117.5(2) 14_456 .
Mn2 N2 C10 C9 178.33(19) . .
C6 N2 C10 C9 0.0 . 12_565
O6 N2 C10 C9 -117.5(2) 14_456 12_565
Mn2 N2 C10 C9 178.34(19) . 12_565
Mn2 O2 C11 O1 11.1(5) 14_557 .
Mn2 O2 C11 C12 -170.30(19) 14_557 .
Mn1 O1 C11 O2 40.3(4) . .
Mn1 O1 C11 C12 -138.34(19) . .
O2 C11 C12 C14 148.8(3) . .
O1 C11 C12 C14 -32.5(4) . .
O2 C11 C12 C13 -35.7(3) . .
O1 C11 C12 C13 143.1(2) . .
C14 C12 C13 C12 -0.07(19) . 8_546
C11 C12 C13 C12 -175.7(3) . 8_546
C13 C12 C14 C15 0.1(4) . .
C11 C12 C14 C15 175.6(2) . .
C12 C14 C15 C14 -0.07(19) . 8_546
C12 C14 C15 C15 179.93(19) . 6_545
Mn2 O4 C16 O3 -48.1(7) . .
Mn2 O4 C16 C16 -129.2(3) . 11
Mn2 O4 C16 C17 145.9(3) . .
C16 O3 C16 O4 -121.9(5) 11 .
Mn1 O3 C16 O4 1.4(7) . .
Mn1 O3 C16 C16 123.3(4) . 11
C16 O3 C16 C17 45.8(4) 11 .
Mn1 O3 C16 C17 169.1(2) . .
O4 C16 C17 C18 -132.3(4) . .
O3 C16 C17 C18 58.9(4) . .
C16 C16 C17 C18 101.5(3) 11 .
O4 C16 C17 C23 20.5(6) . .
O3 C16 C17 C23 -148.2(3) . .
C16 C16 C17 C23 -105.7(3) 11 .
O4 C16 C17 C16 126.2(4) . 11
O3 C16 C17 C16 -42.5(4) . 11
C23 C17 C18 C19 0.000(2) . .
C16 C17 C18 C19 152.6(3) . .
C16 C17 C18 C19 -152.6(3) 11 .
C17 C18 C19 C21 0.000(2) . .
C17 C18 C19 C20 -151.8(3) . 11
C17 C18 C19 C20 151.8(3) . .
N2 O6 C20 O5 -133.2(5) 14_556 .
Mn2 O6 C20 O5 -44.7(7) 14_556 .
N2 O6 C20 C20 145.6(2) 14_556 11
Mn2 O6 C20 C20 -125.9(3) 14_556 11
N2 O6 C20 C19 60.1(6) 14_556 .
Mn2 O6 C20 C19 148.6(3) 14_556 .
C20 O5 C20 O6 -124.3(5) 11 .
Mn1 O5 C20 O6 0.9(7) 1_554 .
Mn1 O5 C20 C20 125.2(4) 1_554 11
C20 O5 C20 C19 44.2(4) 11 .
Mn1 O5 C20 C19 169.4(2) 1_554 .
C18 C19 C20 O6 -129.5(4) . .
C21 C19 C20 O6 22.7(6) . .
C20 C19 C20 O6 128.5(4) 11 .
C18 C19 C20 O5 61.2(4) . .
C21 C19 C20 O5 -146.6(3) . .
C20 C19 C20 O5 -40.8(4) 11 .
C18 C19 C20 C20 102.0(3) . 11
C21 C19 C20 C20 -105.8(3) . 11
C18 C19 C21 C22 0.000(2) . .
C20 C19 C21 C22 150.1(3) 11 .
C20 C19 C21 C22 -150.1(3) . .
C19 C21 C22 C23 0.000(2) . .
C19 C21 C22 C22 180.000(1) . 2
C21 C22 C23 C17 0.000(2) . .
C22 C22 C23 C17 180.000(2) 2 .
C18 C17 C23 C22 0.000(2) . .
C16 C17 C23 C22 -150.8(3) . .
C16 C17 C23 C22 150.7(3) 11 .
