#------------------------------------------------------------------------------
#$Date: 2019-11-25 07:21:23 +0200 (Mon, 25 Nov 2019) $
#$Revision: 240346 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/96/4129672.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_4129672
loop_
_publ_author_name
'Pinkowicz, Dawid'
'Southerland, Heather I.'
'Avendaño, Carolina'
'Prosvirin, Andrey'
'Sanders, Codi'
'Wernsdorfer, Wolfgang'
'Pedersen, Kasper S.'
'Dreiser, Jan'
'Clérac, Rodolphe'
'Nehrkorn, Joscha'
'Simeoni, Giovanna G.'
'Schnegg, Alexander'
'Holldack, Karsten'
'Dunbar, Kim R.'
_publ_section_title
;
 Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible
 "On" and "Off" Exchange Bias Behavior.
;
_journal_issue                   45
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14406
_journal_page_last               14422
_journal_paper_doi               10.1021/jacs.5b09378
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C91 H94 Co0.92 Mn2 N11 O13 Os0.08 P2'
_chemical_formula_weight         1791.02
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/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                90.000
_cell_angle_beta                 102.588(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   17.062(1)
_cell_length_b                   13.837(1)
_cell_length_c                   37.104(2)
_cell_measurement_temperature    110(2)
_cell_volume                     8549.2(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(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  0.0471
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            42524
_diffrn_reflns_theta_full        25.43
_diffrn_reflns_theta_max         25.43
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3727.7
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.628
_refine_diff_density_min         -0.466
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     608
_refine_ls_number_reflns         7875
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0323P)²+18.2463P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0837
_reflns_number_gt                6612
_reflns_number_total             7875
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ja5b09378_si_003.cif
_cod_data_source_block           iof107_xprep
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4129672
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.7500 0.2500 0.0000 0.0029(4) Uani 0.92 2 d SP
Os1 Os 0.7500 0.2500 0.0000 0.047(3) Uani 0.08 2 d SP
Mn1 Mn 0.512134(19) 0.28260(2) 0.054039(9) 0.01319(9) Uani 1 1 d .
P1 P 0.91313(3) 0.18400(4) 0.250288(15) 0.01510(13) Uani 1 1 d .
O1 O 0.58870(9) 0.36560(11) 0.08141(4) 0.0186(4) Uani 1 1 d .
O3 O 0.43878(10) 0.29854(12) 0.09963(4) 0.0210(4) Uani 1 1 d .
O50 O 0.32175(10) 0.42853(12) 0.10057(5) 0.0223(4) Uani 1 1 d .
N1 N 0.57737(11) 0.27850(14) 0.00805(5) 0.0177(4) Uani 1 1 d .
N5 N 0.42516(10) 0.20345(13) 0.02330(5) 0.0131(4) Uani 1 1 d .
N4 N 0.44226(10) 0.39102(13) 0.03092(5) 0.0131(4) Uani 1 1 d .
O2 O 0.56401(9) 0.17447(11) 0.07867(4) 0.0179(3) Uani 1 1 d .
N6 N 1.0000 0.22350(19) 0.2500 0.0169(6) Uani 1 2 d S
O52 O 0.35974(10) -0.00490(13) 0.12843(5) 0.0258(4) Uani 1 1 d .
N2 N 0.80111(12) 0.38112(14) 0.06770(5) 0.0213(4) Uani 1 1 d .
C10 C 0.42197(13) 0.10951(16) 0.02385(6) 0.0146(5) Uani 1 1 d .
H10 H 0.3775 0.0802 0.0089 0.018 Uiso 1 1 calc R
C2 C 0.78243(13) 0.33062(16) 0.04261(6) 0.0159(5) Uani 1 1 d .
C11 C 0.36819(12) 0.25969(16) -0.00192(6) 0.0136(5) Uani 1 1 d .
C31 C 0.91013(13) 0.06017(16) 0.26476(6) 0.0166(5) Uani 1 1 d .
C17 C 0.45140(13) 0.48054(16) 0.04185(6) 0.0147(5) Uani 1 1 d .
H17 H 0.4127 0.5248 0.0306 0.018 Uiso 1 1 calc R
C3 C 0.74030(13) 0.36379(17) -0.03019(6) 0.0173(5) Uani 1 1 d .
C4 C 0.55067(13) 0.08194(16) 0.07057(6) 0.0140(5) Uani 1 1 d .
C13 C 0.25658(13) 0.28370(17) -0.05271(6) 0.0182(5) Uani 1 1 d .
H13 H 0.2162 0.2586 -0.0713 0.022 Uiso 1 1 calc R
C16 C 0.37708(13) 0.36018(16) 0.00217(6) 0.0142(5) Uani 1 1 d .
N3 N 0.73252(12) 0.43399(15) -0.04745(6) 0.0249(5) Uani 1 1 d .
C6 C 0.59658(14) -0.08328(16) 0.08102(6) 0.0178(5) Uani 1 1 d .
H6 H 0.6355 -0.1269 0.0926 0.021 Uiso 1 1 calc R
C1 C 0.64199(14) 0.26643(15) 0.00440(6) 0.0151(5) Uani 1 1 d .
C23 C 0.58256(13) 0.45870(16) 0.08732(6) 0.0149(5) Uani 1 1 d .
C14 C 0.26482(13) 0.38303(17) -0.04852(6) 0.0189(5) Uani 1 1 d .
H14 H 0.2296 0.4238 -0.0642 0.023 Uiso 1 1 calc R
C37 C 0.87084(13) 0.25812(17) 0.28123(6) 0.0186(5) Uani 1 1 d .
C7 C 0.52753(14) -0.11756(17) 0.05714(6) 0.0188(5) Uani 1 1 d .
H7 H 0.5199 -0.1836 0.0531 0.023 Uiso 1 1 calc R
C32 C 0.88907(14) -0.01315(17) 0.23880(7) 0.0220(5) Uani 1 1 d .
H32 H 0.8716 0.0021 0.2139 0.026 Uiso 1 1 calc R
C19 C 0.51470(15) 0.61493(16) 0.07969(7) 0.0210(5) Uani 1 1 d .
H19 H 0.4710 0.6528 0.0687 0.025 Uiso 1 1 calc R
C30 C 0.88038(15) 0.22637(16) 0.17576(6) 0.0211(5) Uani 1 1 d .
H30 H 0.9354 0.2365 0.1792 0.025 Uiso 1 1 calc R
C42 C 0.90099(15) 0.35073(18) 0.28966(7) 0.0260(6) Uani 1 1 d .
H42 H 0.9448 0.3722 0.2808 0.031 Uiso 1 1 calc R
C22 C 0.64588(14) 0.50303(17) 0.11236(6) 0.0179(5) Uani 1 1 d .
H22 H 0.6907 0.4668 0.1233 0.022 Uiso 1 1 calc R
C25 C 0.84810(13) 0.19627(16) 0.20514(6) 0.0170(5) Uani 1 1 d .
C36 C 0.93579(14) 0.03666(17) 0.30207(6) 0.0207(5) Uani 1 1 d .
H36 H 0.9503 0.0854 0.3195 0.025 Uiso 1 1 calc R
C33 C 0.89424(15) -0.10919(18) 0.25010(7) 0.0277(6) Uani 1 1 d .
H33 H 0.8811 -0.1583 0.2327 0.033 Uiso 1 1 calc R
C18 C 0.51634(13) 0.51628(16) 0.06986(6) 0.0161(5) Uani 1 1 d .
C20 C 0.57613(15) 0.65585(17) 0.10509(7) 0.0242(6) Uani 1 1 d .
H20 H 0.5737 0.7204 0.1117 0.029 Uiso 1 1 calc R
C5 C 0.60812(13) 0.01431(16) 0.08780(6) 0.0167(5) Uani 1 1 d .
H5 H 0.6545 0.0355 0.1040 0.020 Uiso 1 1 calc R
C8 C 0.47083(14) -0.05295(16) 0.03959(6) 0.0168(5) Uani 1 1 d .
H8 H 0.4249 -0.0757 0.0235 0.020 Uiso 1 1 calc R
C26 C 0.76551(15) 0.18070(19) 0.19950(7) 0.0264(6) Uani 1 1 d .
H26 H 0.7433 0.1599 0.2189 0.032 Uiso 1 1 calc R
C9 C 0.48119(13) 0.04736(16) 0.04558(6) 0.0140(5) Uani 1 1 d .
C29 C 0.83076(16) 0.24152(17) 0.14114(7) 0.0262(6) Uani 1 1 d .
H29 H 0.8528 0.2612 0.1215 0.031 Uiso 1 1 calc R
C52 C 0.44191(16) -0.0319(2) 0.13938(8) 0.0268(6) Uani 1 1 d .
C35 C 0.93964(15) -0.05935(18) 0.31314(7) 0.0249(6) Uani 1 1 d .
H35 H 0.9561 -0.0750 0.3380 0.030 Uiso 1 1 calc R
C21 C 0.64241(15) 0.59944(17) 0.12092(6) 0.0220(5) Uani 1 1 d .
H21 H 0.6850 0.6275 0.1376 0.026 Uiso 1 1 calc R
C40 C 0.80033(16) 0.3791(2) 0.32476(7) 0.0342(7) Uani 1 1 d .
H40 H 0.7766 0.4197 0.3393 0.041 Uiso 1 1 calc R
C15 C 0.32481(13) 0.42197(17) -0.02131(6) 0.0171(5) Uani 1 1 d .
H15 H 0.3303 0.4886 -0.0187 0.020 Uiso 1 1 calc R
C12 C 0.30739(13) 0.22171(17) -0.02968(6) 0.0168(5) Uani 1 1 d .
H12 H 0.3013 0.1552 -0.0326 0.020 Uiso 1 1 calc R
C38 C 0.80544(15) 0.22668(18) 0.29482(6) 0.0232(5) Uani 1 1 d .
H38 H 0.7851 0.1648 0.2893 0.028 Uiso 1 1 calc R
C24 C 0.43734(16) 0.23225(18) 0.12867(7) 0.0271(6) Uani 1 1 d .
H24A H 0.4022 0.2561 0.1436 0.041 Uiso 1 1 calc R
H24B H 0.4906 0.2251 0.1436 0.041 Uiso 1 1 calc R
H24C H 0.4183 0.1707 0.1184 0.041 Uiso 1 1 calc R
C27 C 0.71670(15) 0.19627(19) 0.16494(7) 0.0301(6) Uani 1 1 d .
H27 H 0.6617 0.1857 0.1613 0.036 Uiso 1 1 calc R
C39 C 0.77053(16) 0.2872(2) 0.31647(7) 0.0296(6) Uani 1 1 d .
H39 H 0.7268 0.2658 0.3255 0.036 Uiso 1 1 calc R
C34 C 0.91890(15) -0.13170(18) 0.28704(7) 0.0269(6) Uani 1 1 d .
H34 H 0.9216 -0.1960 0.2945 0.032 Uiso 1 1 calc R
C28 C 0.74894(16) 0.22738(17) 0.13588(7) 0.0273(6) Uani 1 1 d .
H28 H 0.7157 0.2387 0.1129 0.033 Uiso 1 1 calc R
C50 C 0.35734(17) 0.4900(2) 0.13028(8) 0.0274(6) Uani 1 1 d .
C41 C 0.86541(16) 0.4111(2) 0.31143(8) 0.0360(7) Uani 1 1 d .
H41 H 0.8854 0.4731 0.3170 0.043 Uiso 1 1 calc R
O51 O 0.31441(13) 0.05341(18) 0.19013(7) 0.0470(6) Uani 1 1 d .
C51 C 0.2926(3) -0.0323(3) 0.20650(12) 0.0653(12) Uani 1 1 d .
O53 O 1.0000 -0.3806(5) 0.2500 0.186(4) Uani 1 2 d S
C53 C 0.9078(4) -0.3558(5) 0.2481(2) 0.071(3) Uani 0.50 1 d P
H53A H 0.8778 -0.4147 0.2475 0.107 Uiso 0.50 1 calc PR
H53B H 0.8868 -0.3190 0.2262 0.107 Uiso 0.50 1 calc PR
H53C H 0.9033 -0.3188 0.2695 0.107 Uiso 0.50 1 calc PR
H3 H 0.4011(17) 0.338(2) 0.0984(8) 0.032(8) Uiso 1 1 d .
H52 H 0.3400(19) -0.038(2) 0.1107(9) 0.044(10) Uiso 1 1 d .
H50 H 0.3037(19) 0.467(2) 0.0826(9) 0.050(10) Uiso 1 1 d .
H51 H 0.325(2) 0.037(2) 0.1707(10) 0.052(11) Uiso 1 1 d .
H50A H 0.3983(18) 0.529(2) 0.1245(8) 0.037(8) Uiso 1 1 d .
H50B H 0.3149(18) 0.533(2) 0.1385(8) 0.044(8) Uiso 1 1 d .
H50C H 0.3826(18) 0.450(2) 0.1512(9) 0.046(9) Uiso 1 1 d .
H52A H 0.473(2) -0.012(3) 0.1227(11) 0.076(12) Uiso 1 1 d .
H52B H 0.451(2) -0.096(3) 0.1485(10) 0.075(12) Uiso 1 1 d .
H52C H 0.465(2) 0.009(3) 0.1617(11) 0.077(12) Uiso 1 1 d .
H51A H 0.283(2) -0.015(3) 0.2318(12) 0.084(13) Uiso 1 1 d .
H51B H 0.338(3) -0.072(4) 0.2115(14) 0.124(19) Uiso 1 1 d .
H51C H 0.246(5) -0.063(6) 0.190(2) 0.23(4) Uiso 1 1 d .
H53 H 1.0000 -0.462(6) 0.2500 0.11(2) Uiso 1 2 d S
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'
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'
P P 0.1023 0.0942 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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
C1 Co1 C1 180.00(18) . 7_655
C1 Co1 C2 91.69(9) . 7_655
C1 Co1 C2 88.31(9) 7_655 7_655
C1 Co1 C2 88.31(9) . .
C1 Co1 C2 91.69(9) 7_655 .
C2 Co1 C2 180.00(15) 7_655 .
C1 Co1 C3 89.44(9) . .
C1 Co1 C3 90.56(9) 7_655 .
C2 Co1 C3 91.34(10) 7_655 .
C2 Co1 C3 88.66(10) . .
C1 Co1 C3 90.56(9) . 7_655
C1 Co1 C3 89.44(9) 7_655 7_655
C2 Co1 C3 88.66(10) 7_655 7_655
C2 Co1 C3 91.34(10) . 7_655
C3 Co1 C3 180.00(14) . 7_655
C1 Os1 C1 180.00(18) . 7_655
C1 Os1 C2 91.69(9) . 7_655
C1 Os1 C2 88.31(9) 7_655 7_655
C1 Os1 C2 88.31(9) . .
C1 Os1 C2 91.69(9) 7_655 .
C2 Os1 C2 180.00(15) 7_655 .
C1 Os1 C3 89.44(9) . .
C1 Os1 C3 90.56(9) 7_655 .
C2 Os1 C3 91.34(10) 7_655 .
C2 Os1 C3 88.66(10) . .
C1 Os1 C3 90.56(9) . 7_655
C1 Os1 C3 89.44(9) 7_655 7_655
C2 Os1 C3 88.66(10) 7_655 7_655
C2 Os1 C3 91.34(10) . 7_655
C3 Os1 C3 180.00(14) . 7_655
O1 Mn1 O2 91.48(7) . .
O1 Mn1 N4 93.05(7) . .
O2 Mn1 N4 171.04(7) . .
O1 Mn1 N5 175.35(7) . .
O2 Mn1 N5 93.10(7) . .
N4 Mn1 N5 82.30(8) . .
O1 Mn1 N1 91.44(7) . .
O2 Mn1 N1 95.25(7) . .
N4 Mn1 N1 92.37(7) . .
N5 Mn1 N1 88.95(7) . .
O1 Mn1 O3 88.26(7) . .
O2 Mn1 O3 89.59(7) . .
N4 Mn1 O3 82.83(7) . .
N5 Mn1 O3 90.96(7) . .
N1 Mn1 O3 175.16(7) . .
N6 P1 C31 114.75(11) . .
N6 P1 C37 108.25(11) . .
C31 P1 C37 108.07(11) . .
N6 P1 C25 110.40(8) . .
C31 P1 C25 108.36(11) . .
C37 P1 C25 106.69(10) . .
C23 O1 Mn1 128.49(14) . .
C24 O3 Mn1 126.33(15) . .
C1 N1 Mn1 137.98(17) . .
C10 N5 C11 122.07(19) . .
C10 N5 Mn1 124.68(15) . .
C11 N5 Mn1 113.11(14) . .
C17 N4 C16 122.53(18) . .
C17 N4 Mn1 124.26(15) . .
C16 N4 Mn1 113.11(14) . .
C4 O2 Mn1 128.51(14) . .
P1 N6 P1 139.57(18) . 2_755
N5 C10 C9 125.5(2) . .
N2 C2 Co1 178.2(2) . .
N2 C2 Os1 178.2(2) . .
C12 C11 C16 119.9(2) . .
C12 C11 N5 124.8(2) . .
C16 C11 N5 115.34(19) . .
C32 C31 C36 119.6(2) . .
C32 C31 P1 120.49(18) . .
C36 C31 P1 119.64(18) . .
N4 C17 C18 125.2(2) . .
N3 C3 Co1 177.1(2) . .
N3 C3 Os1 177.1(2) . .
O2 C4 C5 118.2(2) . .
O2 C4 C9 123.5(2) . .
C5 C4 C9 118.3(2) . .
C12 C13 C14 120.9(2) . .
C15 C16 C11 120.0(2) . .
C15 C16 N4 124.8(2) . .
C11 C16 N4 115.16(19) . .
C5 C6 C7 121.1(2) . .
N1 C1 Co1 177.7(2) . .
N1 C1 Os1 177.7(2) . .
O1 C23 C22 117.4(2) . .
O1 C23 C18 124.0(2) . .
C22 C23 C18 118.6(2) . .
C15 C14 C13 120.6(2) . .
C38 C37 C42 119.6(2) . .
C38 C37 P1 121.13(19) . .
C42 C37 P1 119.18(19) . .
C8 C7 C6 119.4(2) . .
C33 C32 C31 119.9(2) . .
C20 C19 C18 121.4(2) . .
C25 C30 C29 120.3(2) . .
C41 C42 C37 119.8(2) . .
C21 C22 C23 120.7(2) . .
C30 C25 C26 119.3(2) . .
C30 C25 P1 119.23(18) . .
C26 C25 P1 121.41(18) . .
C35 C36 C31 120.0(2) . .
C34 C33 C32 120.1(2) . .
C19 C18 C23 118.9(2) . .
C19 C18 C17 117.7(2) . .
C23 C18 C17 123.4(2) . .
C19 C20 C21 119.2(2) . .
C6 C5 C4 120.8(2) . .
C7 C8 C9 121.0(2) . .
C27 C26 C25 119.9(2) . .
C8 C9 C4 119.5(2) . .
C8 C9 C10 116.9(2) . .
C4 C9 C10 123.4(2) . .
C28 C29 C30 120.1(2) . .
C34 C35 C36 119.8(2) . .
C22 C21 C20 121.2(2) . .
C39 C40 C41 120.0(2) . .
C14 C15 C16 119.2(2) . .
C13 C12 C11 119.3(2) . .
C39 C38 C37 120.2(2) . .
C28 C27 C26 120.6(2) . .
C40 C39 C38 120.2(3) . .
C33 C34 C35 120.5(2) . .
C29 C28 C27 119.7(2) . .
C40 C41 C42 120.1(3) . .
C53 O53 C53 155.2(7) 2_755 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 C1 1.899(2) .
Co1 C1 1.899(2) 7_655
Co1 C2 1.916(2) 7_655
Co1 C2 1.916(2) .
Co1 C3 1.918(2) .
Co1 C3 1.918(2) 7_655
Os1 C1 1.899(2) .
Os1 C1 1.899(2) 7_655
Os1 C2 1.916(2) 7_655
Os1 C2 1.916(2) .
Os1 C3 1.918(2) .
Os1 C3 1.918(2) 7_655
Mn1 O1 1.8652(16) .
Mn1 O2 1.8721(16) .
Mn1 N4 1.9905(18) .
Mn1 N5 1.9911(18) .
Mn1 N1 2.2321(19) .
Mn1 O3 2.3237(17) .
P1 N6 1.5820(12) .
P1 C31 1.800(2) .
P1 C37 1.803(2) .
P1 C25 1.804(2) .
O1 C23 1.315(3) .
O3 C24 1.419(3) .
O50 C50 1.420(3) .
N1 C1 1.152(3) .
N5 C10 1.301(3) .
N5 C11 1.425(3) .
N4 C17 1.302(3) .
N4 C16 1.428(3) .
O2 C4 1.324(3) .
N6 P1 1.5820(11) 2_755
O52 C52 1.422(3) .
N2 C2 1.152(3) .
C10 C9 1.434(3) .
C11 C12 1.395(3) .
C11 C16 1.403(3) .
C31 C32 1.391(3) .
C31 C36 1.396(3) .
C17 C18 1.432(3) .
C3 N3 1.155(3) .
C4 C5 1.404(3) .
C4 C9 1.420(3) .
C13 C12 1.376(3) .
C13 C14 1.387(3) .
C16 C15 1.395(3) .
C6 C5 1.380(3) .
C6 C7 1.394(3) .
C23 C22 1.403(3) .
C23 C18 1.419(3) .
C14 C15 1.381(3) .
C37 C38 1.391(3) .
C37 C42 1.391(3) .
C7 C8 1.373(3) .
C32 C33 1.390(4) .
C19 C20 1.370(3) .
C19 C18 1.415(3) .
C30 C25 1.388(3) .
C30 C29 1.392(3) .
C42 C41 1.390(4) .
C22 C21 1.376(3) .
C25 C26 1.396(3) .
C36 C35 1.388(3) .
C33 C34 1.379(4) .
C20 C21 1.394(3) .
C8 C9 1.411(3) .
C26 C27 1.385(3) .
C29 C28 1.381(4) .
C35 C34 1.384(4) .
C40 C39 1.380(4) .
C40 C41 1.383(4) .
C38 C39 1.382(3) .
C27 C28 1.382(4) .
O51 C51 1.418(5) .
O53 C53 1.597(7) 2_755
O53 C53 1.597(7) .
