#------------------------------------------------------------------------------
#$Date: 2016-02-05 01:25:33 +0200 (Fri, 05 Feb 2016) $
#$Revision: 176033 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/77/7037748.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_7037748
loop_
_publ_author_name
'Yue, Qi'
'Wang, Na-Na'
'Guo, Shao-Yun'
'Liang, Lu-Lu'
'Gao, En-Qing'
_publ_section_title
;
 Homochiral and heterochiral Mn(ii) coordination frameworks: spontaneous
 resolution dependent on dipyridyl ligands.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1335
_journal_page_last               1338
_journal_paper_doi               10.1039/c5dt04385a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C21 H21 Mn2 N O13.5'
_chemical_formula_weight         613.27
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-12-17 deposited with the CCDC.
2015-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7074(3)
_cell_length_b                   28.5474(8)
_cell_length_c                   8.0000(2)
_cell_measurement_reflns_used    9971
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.38
_cell_volume                     2445.35(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Brucker SHELXTL'
_computing_publication_material  'Brucker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'Brucker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            33633
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.320
_diffrn_reflns_theta_min         1.427
_exptl_absorpt_coefficient_mu    1.105
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.316
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.03(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.179
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         5807
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0288P)²+1.6702P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0834
_reflns_Friedel_coverage         0.761
_reflns_friedel_fraction_full    1.000
_reflns_friedel_fraction_max     0.979
_reflns_number_gt                5528
_reflns_number_total             5807
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt04385a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7037748--7037750.cif.'
_cod_database_code               7037748
_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.
;
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -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 0.16001(5) 0.15886(2) 1.28203(7) 0.02211(13) Uani 1 1 d . . .
Mn2 Mn 0.42466(5) 0.28752(2) 1.24050(8) 0.02311(13) Uani 1 1 d . . .
O1 O 0.1071(2) 0.14039(9) 1.0289(4) 0.0263(6) Uani 1 1 d . . .
O2 O 0.1245(2) 0.18659(10) 0.8079(4) 0.0319(6) Uani 1 1 d . . .
O3 O 0.3044(2) 0.20522(9) 1.1489(4) 0.0296(6) Uani 1 1 d . . .
O4 O 0.4807(3) 0.23437(10) 1.0546(4) 0.0307(7) Uani 1 1 d . . .
O5 O 0.6358(3) 0.16912(9) 0.4593(4) 0.0336(7) Uani 1 1 d . . .
O6 O 0.7336(2) 0.20161(8) 0.6751(4) 0.0269(6) Uani 1 1 d . . .
O7 O 0.9629(3) 0.17036(9) 0.5366(4) 0.0366(8) Uani 1 1 d . . .
O8 O 1.0157(3) 0.11216(10) 0.3745(5) 0.0400(8) Uani 1 1 d . . .
O9 O 0.0638(2) 0.22845(8) 1.2522(4) 0.0272(6) Uani 1 1 d D . .
H9A H 0.118(4) 0.2483(13) 1.279(6) 0.044(14) Uiso 1 1 d D . .
H9B H 0.023(5) 0.237(2) 1.166(6) 0.08(2) Uiso 1 1 d D . .
O10 O 0.2435(3) 0.18809(11) 1.4981(4) 0.0336(7) Uani 1 1 d D . .
H10A H 0.207(4) 0.1895(19) 1.589(5) 0.055(17) Uiso 1 1 d D . .
H10B H 0.310(3) 0.2029(16) 1.500(6) 0.043(15) Uiso 1 1 d D . .
O11 O 0.3705(3) 0.33378(12) 1.0383(4) 0.0378(7) Uani 1 1 d D . .
H11A H 0.333(4) 0.3212(19) 0.956(5) 0.07(2) Uiso 1 1 d D . .
H11B H 0.440(3) 0.3449(15) 1.005(5) 0.030(12) Uiso 1 1 d D . .
O12 O 0.4645(3) 0.23722(10) 1.4458(4) 0.0277(6) Uani 1 1 d D . .
H12A H 0.477(4) 0.2516(14) 1.535(4) 0.035(14) Uiso 1 1 d D . .
H12B H 0.519(5) 0.2161(17) 1.436(8) 0.09(2) Uiso 1 1 d D . .
O13 O 0.8852(16) 0.0571(5) 0.1268(16) 0.171(8) Uani 0.5 1 d . . P
O14 O 0.7530(4) 0.21819(17) 0.1935(6) 0.0703(13) Uani 1 1 d D . .
H14C H 0.719(5) 0.2018(18) 0.269(6) 0.065(19) Uiso 1 1 d D . .
H14B H 0.695(5) 0.232(3) 0.141(9) 0.12(3) Uiso 1 1 d D . .
N1 N 0.2954(3) 0.09760(10) 1.2790(5) 0.0308(7) Uani 1 1 d . . .
C1 C 0.1673(3) 0.15772(12) 0.9086(5) 0.0218(7) Uani 1 1 d . . .
C2 C 0.2990(3) 0.14029(12) 0.8767(5) 0.0219(7) Uani 1 1 d . . .
C3 C 0.4058(3) 0.16323(12) 0.9319(5) 0.0213(7) Uani 1 1 d . . .
C4 C 0.3954(3) 0.20350(12) 1.0528(5) 0.0216(7) Uani 1 1 d . . .
C5 C 0.5230(3) 0.14707(12) 0.8818(5) 0.0239(8) Uani 1 1 d . . .
H5A H 0.5942 0.1630 0.9165 0.029 Uiso 1 1 calc R U .
C6 C 0.5353(3) 0.10762(11) 0.7809(5) 0.0238(8) Uani 1 1 d . . .
C7 C 0.4280(3) 0.08420(12) 0.7311(6) 0.0298(8) Uani 1 1 d . . .
H7A H 0.4345 0.0572 0.6665 0.036 Uiso 1 1 calc R U .
C8 C 0.3106(3) 0.10080(12) 0.7769(6) 0.0308(9) Uani 1 1 d . . .
H8A H 0.2393 0.0853 0.7403 0.037 Uiso 1 1 calc R U .
C9 C 0.6604(3) 0.08985(11) 0.7266(6) 0.0271(8) Uani 1 1 d . . .
C10 C 0.7437(3) 0.11801(11) 0.6355(5) 0.0206(7) Uani 1 1 d . . .
C11 C 0.7025(3) 0.16697(11) 0.5864(5) 0.0212(7) Uani 1 1 d . . .
C12 C 0.8564(3) 0.09925(12) 0.5779(6) 0.0271(8) Uani 1 1 d . . .
C13 C 0.9508(3) 0.12904(12) 0.4893(6) 0.0243(8) Uani 1 1 d . . .
C14 C 0.8854(4) 0.05269(15) 0.6105(8) 0.0490(14) Uani 1 1 d . . .
H14A H 0.9594 0.0400 0.5698 0.059 Uiso 1 1 calc R U .
C15 C 0.8048(5) 0.02519(14) 0.7033(9) 0.0631(19) Uani 1 1 d . . .
H15A H 0.8258 -0.0057 0.7277 0.076 Uiso 1 1 calc R U .
C16 C 0.6929(4) 0.04350(13) 0.7599(8) 0.0465(14) Uani 1 1 d . . .
H16A H 0.6387 0.0247 0.8209 0.056 Uiso 1 1 calc R U .
C17 C 0.4169(4) 0.10203(14) 1.3071(6) 0.0346(9) Uani 1 1 d . . .
H17A H 0.4475 0.1317 1.3324 0.042 Uiso 1 1 calc R U .
C18 C 0.2544(4) 0.05472(13) 1.2405(8) 0.0446(12) Uani 1 1 d . . .
H18A H 0.1699 0.0508 1.2174 0.054 Uiso 1 1 calc R U .
C19 C 0.5006(4) 0.06536(13) 1.3010(6) 0.0341(10) Uani 1 1 d . . .
H19A H 0.5851 0.0706 1.3202 0.041 Uiso 1 1 calc R U .
C20 C 0.3310(4) 0.01595(13) 1.2332(8) 0.0454(12) Uani 1 1 d . . .
H20A H 0.2979 -0.0132 1.2064 0.054 Uiso 1 1 calc R U .
C21 C 0.4574(3) 0.02060(12) 1.2660(6) 0.0301(9) 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'
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'
H H 0.0000 0.0000 '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
O10 Mn1 O1 165.66(11) . .
O10 Mn1 O8 105.31(13) . 1_456
O1 Mn1 O8 89.02(12) . 1_456
O10 Mn1 O9 86.10(12) . .
O1 Mn1 O9 89.78(11) . .
O8 Mn1 O9 104.63(11) 1_456 .
O10 Mn1 N1 92.45(13) . .
O1 Mn1 N1 88.25(12) . .
O8 Mn1 N1 89.13(12) 1_456 .
O9 Mn1 N1 166.07(11) . .
O10 Mn1 O3 82.38(11) . .
O1 Mn1 O3 83.29(10) . .
O8 Mn1 O3 172.31(13) 1_456 .
O9 Mn1 O3 75.55(9) . .
N1 Mn1 O3 90.52(11) . .
O11 Mn2 O6 83.88(11) . 3_457
O11 Mn2 O7 108.87(13) . 3_457
O6 Mn2 O7 81.08(11) 3_457 3_457
O11 Mn2 O4 89.35(13) . .
O6 Mn2 O4 124.23(11) 3_457 .
O7 Mn2 O4 151.07(12) 3_457 .
O11 Mn2 O12 175.16(12) . .
O6 Mn2 O12 92.47(11) 3_457 .
O7 Mn2 O12 73.56(11) 3_457 .
O4 Mn2 O12 90.09(11) . .
O11 Mn2 O2 85.83(11) . 3_557
O6 Mn2 O2 151.89(10) 3_457 3_557
O7 Mn2 O2 77.65(12) 3_457 3_557
O4 Mn2 O2 81.63(11) . 3_557
O12 Mn2 O2 98.85(11) . 3_557
C1 O1 Mn1 119.0(2) . .
C1 O2 Mn2 131.9(2) . 3_457
C4 O3 Mn1 142.4(2) . .
C4 O4 Mn2 106.8(2) . .
C11 O6 Mn2 122.3(2) . 3_557
C13 O7 Mn2 138.4(3) . 3_557
C13 O8 Mn1 114.2(2) . 1_654
Mn1 O9 H9A 105(3) . .
Mn1 O9 H9B 125(4) . .
H9A O9 H9B 111(4) . .
Mn1 O10 H10A 123(4) . .
Mn1 O10 H10B 125(3) . .
H10A O10 H10B 112(4) . .
Mn2 O11 H11A 117(4) . .
Mn2 O11 H11B 103(3) . .
H11A O11 H11B 109(4) . .
Mn2 O12 H12A 110(3) . .
Mn2 O12 H12B 122(5) . .
H12A O12 H12B 109(4) . .
H14C O14 H14B 107(4) . .
C17 N1 C18 116.7(3) . .
C17 N1 Mn1 123.4(3) . .
C18 N1 Mn1 119.9(2) . .
O2 C1 O1 124.6(3) . .
O2 C1 C2 116.9(3) . .
O1 C1 C2 118.4(3) . .
C8 C2 C3 119.5(3) . .
C8 C2 C1 116.5(3) . .
C3 C2 C1 123.8(3) . .
C2 C3 C5 119.5(3) . .
C2 C3 C4 120.2(3) . .
C5 C3 C4 120.2(3) . .
O3 C4 O4 122.0(3) . .
O3 C4 C3 119.0(3) . .
O4 C4 C3 119.0(3) . .
C6 C5 C3 121.2(3) . .
C6 C5 H5A 119.4 . .
C3 C5 H5A 119.4 . .
C7 C6 C5 118.6(3) . .
C7 C6 C9 119.6(3) . .
C5 C6 C9 121.8(3) . .
C6 C7 C8 120.5(3) . .
C6 C7 H7A 119.7 . .
C8 C7 H7A 119.7 . .
C2 C8 C7 120.6(3) . .
C2 C8 H8A 119.7 . .
C7 C8 H8A 119.7 . .
C16 C9 C10 118.9(3) . .
C16 C9 C6 119.3(3) . .
C10 C9 C6 121.7(3) . .
C12 C10 C9 120.0(3) . .
C12 C10 C11 121.2(3) . .
C9 C10 C11 118.5(3) . .
O5 C11 O6 124.9(3) . .
O5 C11 C10 115.1(3) . .
O6 C11 C10 120.0(3) . .
C14 C12 C10 119.8(3) . .
C14 C12 C13 118.7(3) . .
C10 C12 C13 121.3(3) . .
O7 C13 O8 122.0(4) . .
O7 C13 C12 117.7(3) . .
O8 C13 C12 120.3(3) . .
C15 C14 C12 120.3(4) . .
C15 C14 H14A 119.9 . .
C12 C14 H14A 119.9 . .
C16 C15 C14 120.1(4) . .
C16 C15 H15A 119.9 . .
C14 C15 H15A 119.9 . .
C15 C16 C9 120.8(4) . .
C15 C16 H16A 119.6 . .
C9 C16 H16A 119.6 . .
N1 C17 C19 124.0(4) . .
N1 C17 H17A 118.0 . .
C19 C17 H17A 118.0 . .
N1 C18 C20 123.3(4) . .
N1 C18 H18A 118.3 . .
C20 C18 H18A 118.3 . .
C17 C19 C21 119.3(4) . .
C17 C19 H19A 120.3 . .
C21 C19 H19A 120.3 . .
C18 C20 C21 119.8(4) . .
C18 C20 H20A 120.1 . .
C21 C20 H20A 120.1 . .
C20 C21 C19 116.9(3) . .
C20 C21 C21 121.5(4) . 2_655
C19 C21 C21 121.6(4) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O10 2.118(3) .
Mn1 O1 2.168(3) .
Mn1 O8 2.171(3) 1_456
Mn1 O9 2.251(2) .
Mn1 N1 2.272(3) .
Mn1 O3 2.297(3) .
Mn2 O11 2.167(3) .
Mn2 O6 2.176(3) 3_457
Mn2 O7 2.189(3) 3_457
Mn2 O4 2.208(3) .
Mn2 O12 2.223(3) .
Mn2 O2 2.297(3) 3_557
O1 C1 1.260(5) .
O2 C1 1.240(5) .
O2 Mn2 2.297(3) 3_457
O3 C4 1.242(4) .
O4 C4 1.269(4) .
O5 C11 1.244(5) .
O6 C11 1.262(4) .
O6 Mn2 2.176(3) 3_557
O7 C13 1.246(4) .
O7 Mn2 2.189(3) 3_557
O8 C13 1.249(5) .
O8 Mn1 2.171(3) 1_654
O9 H9A 0.83(2) .
O9 H9B 0.85(2) .
O10 H10A 0.82(2) .
O10 H10B 0.83(2) .
O11 H11A 0.85(2) .
O11 H11B 0.85(2) .
O12 H12A 0.83(2) .
O12 H12B 0.85(2) .
O14 H14C 0.85(2) .
O14 H14B 0.85(3) .
N1 C17 1.326(5) .
N1 C18 1.337(5) .
C1 C2 1.517(5) .
C2 C8 1.387(5) .
C2 C3 1.389(5) .
C3 C5 1.396(5) .
C3 C4 1.507(5) .
C5 C6 1.392(5) .
C5 H5A 0.9300 .
C6 C7 1.388(5) .
C6 C9 1.497(5) .
C7 C8 1.392(5) .
C7 H7A 0.9300 .
C8 H8A 0.9300 .
C9 C16 1.394(5) .
C9 C10 1.405(5) .
C10 C12 1.399(5) .
C10 C11 1.517(5) .
C12 C14 1.390(5) .
C12 C13 1.499(5) .
C14 C15 1.383(7) .
C14 H14A 0.9300 .
C15 C16 1.383(6) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C19 1.379(5) .
C17 H17A 0.9300 .
C18 C20 1.379(5) .
C18 H18A 0.9300 .
C19 C21 1.387(5) .
C19 H19A 0.9300 .
C20 C21 1.386(5) .
C20 H20A 0.9300 .
C21 C21 1.488(7) 2_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_4
Mn2 O2 C1 O1 -11.2(6) 3_457 .
Mn2 O2 C1 C2 165.0(3) 3_457 .
Mn1 O1 C1 O2 -111.7(4) . .
Mn1 O1 C1 C2 72.1(4) . .
O2 C1 C2 C8 -89.8(4) . .
O1 C1 C2 C8 86.6(5) . .
O2 C1 C2 C3 85.8(5) . .
O1 C1 C2 C3 -97.8(4) . .
C8 C2 C3 C5 2.0(6) . .
C1 C2 C3 C5 -173.5(4) . .
C8 C2 C3 C4 -174.5(4) . .
C1 C2 C3 C4 10.1(5) . .
Mn1 O3 C4 O4 -152.6(3) . .
Mn1 O3 C4 C3 26.7(6) . .
Mn2 O4 C4 O3 -3.0(5) . .
Mn2 O4 C4 C3 177.8(3) . .
C2 C3 C4 O3 26.8(5) . .
C5 C3 C4 O3 -149.6(4) . .
C2 C3 C4 O4 -153.9(4) . .
C5 C3 C4 O4 29.6(5) . .
C2 C3 C5 C6 -1.7(6) . .
C4 C3 C5 C6 174.8(4) . .
C3 C5 C6 C7 -0.3(6) . .
C3 C5 C6 C9 -179.9(4) . .
C5 C6 C7 C8 2.0(6) . .
C9 C6 C7 C8 -178.5(4) . .
C3 C2 C8 C7 -0.4(6) . .
C1 C2 C8 C7 175.4(4) . .
C6 C7 C8 C2 -1.7(7) . .
C7 C6 C9 C16 -54.7(6) . .
C5 C6 C9 C16 124.8(5) . .
C7 C6 C9 C10 122.0(4) . .
C5 C6 C9 C10 -58.4(6) . .
C16 C9 C10 C12 0.8(7) . .
C6 C9 C10 C12 -176.0(4) . .
C16 C9 C10 C11 174.5(4) . .
C6 C9 C10 C11 -2.2(6) . .
Mn2 O6 C11 O5 -133.8(3) 3_557 .
Mn2 O6 C11 C10 48.1(4) 3_557 .
C12 C10 C11 O5 91.9(4) . .
C9 C10 C11 O5 -81.8(5) . .
C12 C10 C11 O6 -89.9(5) . .
C9 C10 C11 O6 96.5(4) . .
C9 C10 C12 C14 0.3(7) . .
C11 C10 C12 C14 -173.3(4) . .
C9 C10 C12 C13 -176.2(4) . .
C11 C10 C12 C13 10.2(6) . .
Mn2 O7 C13 O8 -157.1(3) 3_557 .
Mn2 O7 C13 C12 21.5(6) 3_557 .
Mn1 O8 C13 O7 5.0(5) 1_654 .
Mn1 O8 C13 C12 -173.6(3) 1_654 .
C14 C12 C13 O7 -140.8(5) . .
C10 C12 C13 O7 35.7(6) . .
C14 C12 C13 O8 37.9(7) . .
C10 C12 C13 O8 -145.6(4) . .
C10 C12 C14 C15 -1.6(9) . .
C13 C12 C14 C15 175.0(6) . .
C12 C14 C15 C16 1.9(10) . .
C14 C15 C16 C9 -0.9(10) . .
C10 C9 C16 C15 -0.5(8) . .
C6 C9 C16 C15 176.3(5) . .
C18 N1 C17 C19 -1.0(8) . .
Mn1 N1 C17 C19 -178.1(4) . .
C17 N1 C18 C20 1.6(9) . .
Mn1 N1 C18 C20 178.9(5) . .
N1 C17 C19 C21 -0.9(8) . .
N1 C18 C20 C21 -0.4(10) . .
C18 C20 C21 C19 -1.6(8) . .
C18 C20 C21 C21 177.6(4) . 2_655
C17 C19 C21 C20 2.2(7) . .
C17 C19 C21 C21 -177.0(3) . 2_655
