#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:48:18 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180449 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/18/7211886.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_7211886
loop_
_publ_author_name
'Zhong, Rui-Qin'
'Zou, Ru-Qiang'
'Du, Miao'
'Yamada, Tetsuya'
'Maruta, Goro'
'Takeda, Sadamu'
'Li, Jing'
'Xu, Qiang'
_publ_section_title
;
 Metal--organic frameworks of manganese(ii)
 4,4′-biphenyldicarboxylates: crystal structures, hydrogen
 adsorption, and magnetism properties
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              677
_journal_paper_doi               10.1039/b916168f
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C58 H60 Mn3 N4 O16'
_chemical_formula_weight         1233.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.958(3)
_cell_length_b                   18.507(4)
_cell_length_c                   12.351(3)
_cell_measurement_reflns_used    1642
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.25
_cell_volume                     2919.4(13)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalClear (Rigaku, 1999)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_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  0.0630
_diffrn_reflns_av_sigmaI/netI    0.0678
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20028
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         5136
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.206
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0843
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+18.0911P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1956
_refine_ls_wR_factor_ref         0.2003
_reflns_number_gt                4438
_reflns_number_total             5136
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b916168f.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2919.7(10)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7211886
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mn1 Mn 0.08492(7) 0.51901(5) 0.32279(8) 0.0312(3) Uani 1 1 d .
Mn2 Mn 0.0000 0.5000 0.0000 0.0252(3) Uani 1 2 d S
C1 C 0.2674(5) 0.3561(3) 0.2259(6) 0.0325(13) Uani 1 1 d .
C2 C 0.3459(6) 0.3500(4) 0.3385(6) 0.0457(17) Uani 1 1 d .
H2 H 0.3379 0.3723 0.4018 0.055 Uiso 1 1 calc R
C3 C 0.4366(5) 0.3109(4) 0.3583(6) 0.0445(16) Uani 1 1 d .
H3 H 0.4877 0.3067 0.4349 0.053 Uiso 1 1 calc R
C4 C 0.4520(5) 0.2780(3) 0.2654(6) 0.0334(13) Uani 1 1 d .
C5 C 0.3722(5) 0.2833(3) 0.1538(6) 0.0385(15) Uani 1 1 d .
H5 H 0.3801 0.2607 0.0906 0.046 Uiso 1 1 calc R
C6 C 0.2802(5) 0.3213(3) 0.1329(6) 0.0379(14) Uani 1 1 d .
H6 H 0.2276 0.3233 0.0569 0.045 Uiso 1 1 calc R
C7 C 0.5499(5) 0.2372(3) 0.2856(5) 0.0327(13) Uani 1 1 d .
C8 C 0.5937(5) 0.2398(3) 0.2021(6) 0.0410(16) Uani 1 1 d .
H8 H 0.5648 0.2703 0.1371 0.049 Uiso 1 1 calc R
C9 C 0.6797(5) 0.1975(4) 0.2147(6) 0.0391(15) Uani 1 1 d .
H9 H 0.7065 0.1988 0.1569 0.047 Uiso 1 1 calc R
C10 C 0.7263(4) 0.1529(3) 0.3136(5) 0.0312(13) Uani 1 1 d .
C11 C 0.6847(5) 0.1521(3) 0.3978(6) 0.0386(15) Uani 1 1 d .
H11 H 0.7154 0.1233 0.4647 0.046 Uiso 1 1 calc R
C12 C 0.5980(5) 0.1935(3) 0.3842(6) 0.0394(15) Uani 1 1 d .
H12 H 0.5714 0.1919 0.4422 0.047 Uiso 1 1 calc R
C13 C 0.1727(4) 0.4036(3) 0.2043(6) 0.0324(13) Uani 1 1 d .
C14 C 0.8176(5) 0.1045(3) 0.3248(6) 0.0356(14) Uani 1 1 d .
C15 C -0.2226(4) 0.4847(3) 0.1327(5) 0.0304(12) Uani 1 1 d .
C16 C -0.2711(5) 0.5270(4) 0.0337(7) 0.0448(17) Uani 1 1 d .
H16 H -0.2309 0.5519 0.0015 0.054 Uiso 1 1 calc R
C17 C -0.3792(5) 0.5329(4) -0.0185(7) 0.0510(19) Uani 1 1 d .
H17 H -0.4107 0.5617 -0.0852 0.061 Uiso 1 1 calc R
C18 C -0.4415(4) 0.4960(3) 0.0278(6) 0.0352(14) Uani 1 1 d .
C19 C -0.3913(5) 0.4512(4) 0.1239(6) 0.0395(15) Uani 1 1 d .
H19 H -0.4313 0.4237 0.1531 0.047 Uiso 1 1 calc R
C20 C -0.2830(4) 0.4463(4) 0.1780(6) 0.0366(14) Uani 1 1 d .
H20 H -0.2512 0.4172 0.2444 0.044 Uiso 1 1 calc R
C21 C -0.1061(4) 0.4840(3) 0.1940(5) 0.0289(12) Uani 1 1 d .
C22 C 0.0408(7) 0.6751(4) 0.3805(9) 0.065(2) Uani 1 1 d .
C23 C 0.1211(9) 0.6916(6) 0.5074(9) 0.098(4) Uani 1 1 d .
H23A H 0.0998 0.7341 0.5364 0.147 Uiso 1 1 calc R
H23B H 0.1888 0.6995 0.5066 0.147 Uiso 1 1 calc R
H23C H 0.1245 0.6514 0.5581 0.147 Uiso 1 1 calc R
C24 C 0.0610(9) 0.8004(4) 0.3327(11) 0.094(4) Uani 1 1 d .
H24A H 0.0654 0.8169 0.4082 0.141 Uiso 1 1 calc R
H24B H 0.0169 0.8324 0.2718 0.141 Uiso 1 1 calc R
H24C H 0.1298 0.7997 0.3327 0.141 Uiso 1 1 calc R
C25 C -0.0619(9) 0.7096(6) 0.1860(10) 0.104(4) Uani 1 1 d .
H25A H -0.0256 0.6913 0.1402 0.155 Uiso 1 1 calc R
H25B H -0.0995 0.7526 0.1494 0.155 Uiso 1 1 calc R
H25C H -0.1102 0.6739 0.1898 0.155 Uiso 1 1 calc R
C26 C 0.2523(7) 0.4669(5) 0.5615(7) 0.058(2) Uani 1 1 d .
C27 C 0.2113(10) 0.3995(6) 0.5956(12) 0.105(4) Uani 1 1 d .
H27A H 0.1390 0.4062 0.5816 0.157 Uiso 1 1 calc R
H27B H 0.2511 0.3895 0.6779 0.157 Uiso 1 1 calc R
H27C H 0.2174 0.3596 0.5490 0.157 Uiso 1 1 calc R
C28 C 0.4325(9) 0.4252(7) 0.6743(11) 0.111(4) Uani 1 1 d .
H28A H 0.4011 0.3908 0.7084 0.166 Uiso 1 1 calc R
H28B H 0.4856 0.4519 0.7363 0.166 Uiso 1 1 calc R
H28C H 0.4634 0.4002 0.6283 0.166 Uiso 1 1 calc R
C29 C 0.3885(9) 0.5411(6) 0.5602(13) 0.116(5) Uani 1 1 d .
H29A H 0.3638 0.5412 0.4755 0.175 Uiso 1 1 calc R
H29B H 0.4637 0.5430 0.5948 0.175 Uiso 1 1 calc R
H29C H 0.3612 0.5825 0.5851 0.175 Uiso 1 1 calc R
N1 N 0.0167(7) 0.7272(4) 0.3104(9) 0.080(2) Uani 1 1 d .
N2 N 0.3532(6) 0.4745(4) 0.5989(7) 0.071(2) Uani 1 1 d .
O1 O 0.1113(3) 0.4149(2) 0.0990(4) 0.0374(10) Uani 1 1 d .
O2 O 0.1641(4) 0.4275(3) 0.2945(4) 0.0537(13) Uani 1 1 d .
O3 O 0.8281(4) 0.0938(3) 0.2293(5) 0.0578(14) Uani 1 1 d .
O4 O 0.8731(3) 0.0796(2) 0.4235(4) 0.0407(11) Uani 1 1 d .
O5 O -0.0521(3) 0.5141(2) 0.1437(4) 0.0330(9) Uani 1 1 d .
O6 O -0.0624(3) 0.4591(2) 0.2969(4) 0.0394(10) Uani 1 1 d .
O7 O 0.0068(4) 0.6125(2) 0.3571(5) 0.0489(12) Uani 1 1 d .
O8 O 0.1904(4) 0.5141(3) 0.5017(5) 0.0598(14) 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'
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
O3 Mn1 O8 96.0(2) 2_655 .
O3 Mn1 O2 94.1(2) 2_655 .
O8 Mn1 O2 87.0(2) . .
O3 Mn1 O7 86.1(2) 2_655 .
O8 Mn1 O7 91.3(2) . .
O2 Mn1 O7 178.3(2) . .
O3 Mn1 O6 152.9(2) 2_655 .
O8 Mn1 O6 110.0(2) . .
O2 Mn1 O6 95.17(19) . .
O7 Mn1 O6 85.34(17) . .
O3 Mn1 O5 95.25(18) 2_655 .
O8 Mn1 O5 168.27(19) . .
O2 Mn1 O5 95.62(18) . .
O7 Mn1 O5 86.00(17) . .
O6 Mn1 O5 58.47(15) . .
O3 Mn1 C21 123.9(2) 2_655 .
O8 Mn1 C21 138.5(2) . .
O2 Mn1 C21 100.13(19) . .
O7 Mn1 C21 81.09(18) . .
O6 Mn1 C21 29.14(17) . .
O5 Mn1 C21 29.81(16) . .
O5 Mn2 O5 180.0(2) . 3_565
O5 Mn2 O4 87.40(15) . 4_465
O5 Mn2 O4 92.60(15) 3_565 4_465
O5 Mn2 O4 92.60(15) . 2_655
O5 Mn2 O4 87.40(15) 3_565 2_655
O4 Mn2 O4 180.0 4_465 2_655
O5 Mn2 O1 88.53(15) . 3_565
O5 Mn2 O1 91.47(15) 3_565 3_565
O4 Mn2 O1 88.57(17) 4_465 3_565
O4 Mn2 O1 91.43(17) 2_655 3_565
O5 Mn2 O1 91.47(15) . .
O5 Mn2 O1 88.53(15) 3_565 .
O4 Mn2 O1 91.43(17) 4_465 .
O4 Mn2 O1 88.57(17) 2_655 .
O1 Mn2 O1 180.00(15) 3_565 .
C2 C1 C6 118.5(5) . .
C2 C1 C13 120.3(5) . .
C6 C1 C13 121.1(6) . .
C1 C2 C3 121.0(6) . .
C1 C2 H2 119.5 . .
C3 C2 H2 119.5 . .
C4 C3 C2 121.0(6) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
C5 C4 C3 117.5(5) . .
C5 C4 C7 121.2(5) . .
C3 C4 C7 121.3(6) . .
C4 C5 C6 122.1(6) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C1 C6 C5 119.8(6) . .
C1 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C12 C7 C8 117.8(5) . .
C12 C7 C4 121.9(5) . .
C8 C7 C4 120.3(5) . .
C9 C8 C7 121.0(6) . .
C9 C8 H8 119.5 . .
C7 C8 H8 119.5 . .
C8 C9 C10 120.5(6) . .
C8 C9 H9 119.8 . .
C10 C9 H9 119.8 . .
C11 C10 C9 118.4(5) . .
C11 C10 C14 121.2(5) . .
C9 C10 C14 120.3(5) . .
C10 C11 C12 121.1(6) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C11 C12 C7 121.2(6) . .
C11 C12 H12 119.4 . .
C7 C12 H12 119.4 . .
O2 C13 O1 126.6(5) . .
O2 C13 C1 115.9(6) . .
O1 C13 C1 117.5(5) . .
O4 C14 O3 126.8(6) . .
O4 C14 C10 118.5(5) . .
O3 C14 C10 114.7(6) . .
C16 C15 C20 119.3(5) . .
C16 C15 C21 120.0(5) . .
C20 C15 C21 120.5(5) . .
C15 C16 C17 120.7(6) . .
C15 C16 H16 119.7 . .
C17 C16 H16 119.7 . .
C16 C17 C18 120.8(6) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C19 C18 C17 117.4(5) . .
C19 C18 C18 122.1(7) . 3_465
C17 C18 C18 120.5(7) . 3_465
C18 C19 C20 122.0(5) . .
C18 C19 H19 119.0 . .
C20 C19 H19 119.0 . .
C15 C20 C19 119.7(6) . .
C15 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
O6 C21 O5 120.7(5) . .
O6 C21 C15 120.2(5) . .
O5 C21 C15 118.9(5) . .
O6 C21 Mn1 60.5(3) . .
O5 C21 Mn1 61.7(3) . .
C15 C21 Mn1 163.0(4) . .
O7 C22 N1 126.1(10) . .
O7 C22 C23 118.2(9) . .
N1 C22 C23 115.6(9) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N1 C24 H24A 109.5 . .
N1 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N1 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N1 C25 H25A 109.5 . .
N1 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
N1 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O8 C26 N2 122.0(9) . .
O8 C26 C27 119.9(9) . .
N2 C26 C27 118.1(9) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N2 C28 H28A 109.5 . .
N2 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
N2 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N2 C29 H29A 109.5 . .
N2 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N2 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C22 N1 C24 127.4(10) . .
C22 N1 C25 114.7(8) . .
C24 N1 C25 117.7(9) . .
C26 N2 C28 126.8(10) . .
C26 N2 C29 115.5(8) . .
C28 N2 C29 117.7(9) . .
C13 O1 Mn2 136.8(4) . .
C13 O2 Mn1 132.2(4) . .
C14 O3 Mn1 133.5(4) . 2_645
C14 O4 Mn2 138.2(4) . 2_645
C21 O5 Mn2 142.6(4) . .
C21 O5 Mn1 88.5(3) . .
Mn2 O5 Mn1 111.73(15) . .
C21 O6 Mn1 90.3(3) . .
C22 O7 Mn1 127.8(5) . .
C26 O8 Mn1 132.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 2.105(4) 2_655
Mn1 O8 2.106(5) .
Mn1 O2 2.126(4) .
Mn1 O7 2.176(5) .
Mn1 O6 2.243(4) .
Mn1 O5 2.269(4) .
Mn1 C21 2.576(6) .
Mn2 O5 2.188(4) .
Mn2 O5 2.188(4) 3_565
Mn2 O4 2.203(4) 4_465
Mn2 O4 2.203(4) 2_655
Mn2 O1 2.204(4) 3_565
Mn2 O1 2.204(4) .
C1 C2 1.385(9) .
C1 C6 1.392(8) .
C1 C13 1.519(7) .
C2 C3 1.392(8) .
C2 H2 0.9300 .
C3 C4 1.390(8) .
C3 H3 0.9300 .
C4 C5 1.383(9) .
C4 C7 1.491(7) .
C5 C6 1.393(8) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C12 1.389(8) .
C7 C8 1.396(8) .
C8 C9 1.389(8) .
C8 H8 0.9300 .
C9 C10 1.399(8) .
C9 H9 0.9300 .
C10 C11 1.380(8) .
C10 C14 1.517(7) .
C11 C12 1.384(8) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 O2 1.249(7) .
C13 O1 1.253(7) .
C14 O4 1.240(8) .
C14 O3 1.261(8) .
C15 C16 1.379(9) .
C15 C20 1.383(8) .
C15 C21 1.492(7) .
C16 C17 1.386(9) .
C16 H16 0.9300 .
C17 C18 1.396(8) .
C17 H17 0.9300 .
C18 C19 1.385(9) .
C18 C18 1.502(11) 3_465
C19 C20 1.387(8) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 O6 1.254(7) .
C21 O5 1.281(7) .
C22 O7 1.241(9) .
C22 N1 1.249(11) .
C22 C23 1.546(13) .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 N1 1.467(11) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 N1 1.520(12) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 O8 1.241(9) .
C26 N2 1.300(10) .
C26 C27 1.502(12) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 N2 1.447(11) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 N2 1.479(13) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
O3 Mn1 2.105(4) 2_645
O4 Mn2 2.203(4) 2_645
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
C6 C1 C2 C3 1.1(10) . .
C13 C1 C2 C3 -175.4(6) . .
C1 C2 C3 C4 1.3(11) . .
C2 C3 C4 C5 -2.5(10) . .
C2 C3 C4 C7 178.8(6) . .
C3 C4 C5 C6 1.5(10) . .
C7 C4 C5 C6 -179.8(6) . .
C2 C1 C6 C5 -2.1(10) . .
C13 C1 C6 C5 174.4(6) . .
C4 C5 C6 C1 0.8(10) . .
C5 C4 C7 C12 -139.4(7) . .
C3 C4 C7 C12 39.2(9) . .
C5 C4 C7 C8 37.9(9) . .
C3 C4 C7 C8 -143.5(7) . .
C12 C7 C8 C9 2.8(10) . .
C4 C7 C8 C9 -174.6(6) . .
C7 C8 C9 C10 -2.0(11) . .
C8 C9 C10 C11 0.0(10) . .
C8 C9 C10 C14 177.6(6) . .
C9 C10 C11 C12 1.0(10) . .
C14 C10 C11 C12 -176.6(6) . .
C10 C11 C12 C7 -0.1(11) . .
C8 C7 C12 C11 -1.8(10) . .
C4 C7 C12 C11 175.5(6) . .
C2 C1 C13 O2 -9.4(9) . .
C6 C1 C13 O2 174.3(6) . .
C2 C1 C13 O1 170.6(6) . .
C6 C1 C13 O1 -5.7(9) . .
C11 C10 C14 O4 -20.0(9) . .
C9 C10 C14 O4 162.6(6) . .
C11 C10 C14 O3 159.7(6) . .
C9 C10 C14 O3 -17.8(9) . .
C20 C15 C16 C17 1.8(11) . .
C21 C15 C16 C17 -174.6(6) . .
C15 C16 C17 C18 -0.1(12) . .
C16 C17 C18 C19 -2.8(11) . .
C16 C17 C18 C18 178.6(8) . 3_465
C17 C18 C19 C20 4.2(10) . .
C18 C18 C19 C20 -177.3(7) 3_465 .
C16 C15 C20 C19 -0.5(10) . .
C21 C15 C20 C19 175.9(6) . .
C18 C19 C20 C15 -2.6(10) . .
C16 C15 C21 O6 164.3(6) . .
C20 C15 C21 O6 -12.2(8) . .
C16 C15 C21 O5 -10.6(8) . .
C20 C15 C21 O5 173.0(5) . .
C16 C15 C21 Mn1 76.8(16) . .
C20 C15 C21 Mn1 -99.6(15) . .
O3 Mn1 C21 O6 -175.7(3) 2_655 .
O8 Mn1 C21 O6 -14.6(5) . .
O2 Mn1 C21 O6 82.4(4) . .
O7 Mn1 C21 O6 -96.5(3) . .
O5 Mn1 C21 O6 166.0(5) . .
O3 Mn1 C21 O5 18.4(4) 2_655 .
O8 Mn1 C21 O5 179.4(3) . .
O2 Mn1 C21 O5 -83.6(3) . .
O7 Mn1 C21 O5 97.6(3) . .
O6 Mn1 C21 O5 -166.0(5) . .
O3 Mn1 C21 C15 -78.4(15) 2_655 .
O8 Mn1 C21 C15 82.7(15) . .
O2 Mn1 C21 C15 179.6(14) . .
O7 Mn1 C21 C15 0.8(15) . .
O6 Mn1 C21 C15 97.2(15) . .
O5 Mn1 C21 C15 -96.8(15) . .
O7 C22 N1 C24 -175.2(8) . .
C23 C22 N1 C24 4.4(14) . .
O7 C22 N1 C25 0.1(14) . .
C23 C22 N1 C25 179.7(9) . .
O8 C26 N2 C28 176.3(8) . .
C27 C26 N2 C28 -1.9(14) . .
O8 C26 N2 C29 -3.1(13) . .
C27 C26 N2 C29 178.7(9) . .
O2 C13 O1 Mn2 26.5(10) . .
C1 C13 O1 Mn2 -153.5(4) . .
O5 Mn2 O1 C13 -39.4(6) . .
O5 Mn2 O1 C13 140.6(6) 3_565 .
O4 Mn2 O1 C13 -126.8(6) 4_465 .
O4 Mn2 O1 C13 53.2(6) 2_655 .
O1 Mn2 O1 C13 -153(100) 3_565 .
O1 C13 O2 Mn1 -23.4(10) . .
C1 C13 O2 Mn1 156.6(4) . .
O3 Mn1 O2 C13 -60.7(6) 2_655 .
O8 Mn1 O2 C13 -156.5(6) . .
O7 Mn1 O2 C13 -158(7) . .
O6 Mn1 O2 C13 93.8(6) . .
O5 Mn1 O2 C13 35.0(6) . .
C21 Mn1 O2 C13 64.8(6) . .
O4 C14 O3 Mn1 13.9(11) . 2_645
C10 C14 O3 Mn1 -165.7(5) . 2_645
O3 C14 O4 Mn2 -8.5(11) . 2_645
C10 C14 O4 Mn2 171.1(4) . 2_645
O6 C21 O5 Mn2 110.9(6) . .
C15 C21 O5 Mn2 -74.2(7) . .
Mn1 C21 O5 Mn2 125.1(6) . .
O6 C21 O5 Mn1 -14.2(5) . .
C15 C21 O5 Mn1 160.6(5) . .
O5 Mn2 O5 C21 -48(99) 3_565 .
O4 Mn2 O5 C21 18.5(6) 4_465 .
O4 Mn2 O5 C21 -161.5(6) 2_655 .
O1 Mn2 O5 C21 107.2(6) 3_565 .
O1 Mn2 O5 C21 -72.8(6) . .
O5 Mn2 O5 Mn1 70(99) 3_565 .
O4 Mn2 O5 Mn1 136.9(2) 4_465 .
O4 Mn2 O5 Mn1 -43.1(2) 2_655 .
O1 Mn2 O5 Mn1 -134.47(19) 3_565 .
O1 Mn2 O5 Mn1 45.53(19) . .
O3 Mn1 O5 C21 -164.8(3) 2_655 .
O8 Mn1 O5 C21 -1.9(10) . .
O2 Mn1 O5 C21 100.6(3) . .
O7 Mn1 O5 C21 -79.0(3) . .
O6 Mn1 O5 C21 8.0(3) . .
O3 Mn1 O5 Mn2 47.5(2) 2_655 .
O8 Mn1 O5 Mn2 -149.6(8) . .
O2 Mn1 O5 Mn2 -47.1(2) . .
O7 Mn1 O5 Mn2 133.3(2) . .
O6 Mn1 O5 Mn2 -139.7(2) . .
C21 Mn1 O5 Mn2 -147.7(4) . .
O5 C21 O6 Mn1 14.4(5) . .
C15 C21 O6 Mn1 -160.4(5) . .
O3 Mn1 O6 C21 7.9(6) 2_655 .
O8 Mn1 O6 C21 169.8(3) . .
O2 Mn1 O6 C21 -101.5(3) . .
O7 Mn1 O6 C21 80.0(4) . .
O5 Mn1 O6 C21 -8.1(3) . .
N1 C22 O7 Mn1 102.1(10) . .
C23 C22 O7 Mn1 -77.5(10) . .
O3 Mn1 O7 C22 -24.9(8) 2_655 .
O8 Mn1 O7 C22 71.0(8) . .
O2 Mn1 O7 C22 73(7) . .
O6 Mn1 O7 C22 -179.1(8) . .
O5 Mn1 O7 C22 -120.5(8) . .
C21 Mn1 O7 C22 -150.1(8) . .
N2 C26 O8 Mn1 109.5(9) . .
C27 C26 O8 Mn1 -72.4(10) . .
O3 Mn1 O8 C26 -108.0(8) 2_655 .
O2 Mn1 O8 C26 -14.2(8) . .
O7 Mn1 O8 C26 165.8(8) . .
O6 Mn1 O8 C26 80.2(8) . .
O5 Mn1 O8 C26 89.2(11) . .
C21 Mn1 O8 C26 87.7(8) . .
