#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:54:54 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179546 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/15/4501546.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_4501546
loop_
_publ_author_name
'Borel, Cédric'
'Davies, Kate'
'Handa, Paul'
'Hedberg, Gustav'
'Oliver, Clive L.'
'Bourne, Susan A.'
'Håkansson, Mikael'
'Langer, Vratislav'
'Öhrström, Lars'
_publ_section_title
;
 Family of Isoreticular Chiral Metal−Organic Frameworks Based on
 Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1971
_journal_paper_doi               10.1021/cg1000842
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C24 H32 Co4 Mn2 N8 O39'
_chemical_formula_weight         1402.18
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 92.158(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8416(18)
_cell_length_b                   30.394(6)
_cell_length_c                   8.8226(17)
_cell_measurement_reflns_used    17729
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3.5
_cell_volume                     2369.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'R-Axis IIc'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0668
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            17729
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    2.008
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4558
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   REQAB
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1092
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.860
_refine_diff_density_min         -1.564
_refine_diff_density_rms         0.260
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     684
_refine_ls_number_reflns         9973
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1047
_refine_ls_R_factor_gt           0.0965
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1729P)²+14.3102P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2634
_refine_ls_wR_factor_ref         0.2697
_reflns_number_gt                8239
_reflns_number_total             9973
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg1000842_si_001.cif
_cod_data_source_block           3CoMn298
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               4501546
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.9276(12) 0.5715(3) 0.2651(11) 0.0192(19) Uani 1 1 d .
C2 C 1.0720(12) 0.5950(3) 0.2128(11) 0.0201(19) Uani 1 1 d .
C3 C 1.2712(10) 0.4648(3) 0.0665(10) 0.0146(17) Uani 1 1 d .
C4 C 1.2022(10) 0.4400(3) -0.0745(10) 0.0157(17) Uiso 1 1 d .
C5 C 1.0823(11) 0.5665(3) -0.2968(11) 0.0188(18) Uani 1 1 d .
C6 C 0.9465(11) 0.5937(3) -0.2429(12) 0.0209(19) Uani 1 1 d .
C7 C 0.6946(12) 0.4670(3) -0.1023(12) 0.023(2) Uani 1 1 d .
C8 C 0.7565(10) 0.4427(3) 0.0371(10) 0.0159(17) Uani 1 1 d .
C9 C 0.9552(14) 0.7158(3) 0.4927(13) 0.029(2) Uani 1 1 d .
H9A H 0.9149 0.7185 0.5930 0.035 Uiso 1 1 calc R
H9B H 0.9257 0.7415 0.4337 0.035 Uiso 1 1 calc R
C10 C 1.1250(15) 0.7116(3) 0.5035(13) 0.033(3) Uani 1 1 d .
H10A H 1.1666 0.7134 0.4036 0.039 Uiso 1 1 calc R
H10B H 1.1686 0.7350 0.5660 0.039 Uiso 1 1 calc R
C11 C 1.4945(11) 0.3205(3) -0.1113(14) 0.028(2) Uani 1 1 d .
H11A H 1.5551 0.2969 -0.1512 0.033 Uiso 1 1 calc R
H11B H 1.3901 0.3164 -0.1460 0.033 Uiso 1 1 calc R
C12 C 1.5072(11) 0.3213(4) 0.0575(14) 0.029(2) Uani 1 1 d .
H12A H 1.4620 0.2951 0.0995 0.034 Uiso 1 1 calc R
H12B H 1.6124 0.3228 0.0924 0.034 Uiso 1 1 calc R
C13 C -0.0683(11) 0.8239(3) 0.2839(12) 0.0207(19) Uani 1 1 d .
C14 C 0.0819(11) 0.8446(3) 0.2340(10) 0.0171(17) Uani 1 1 d .
C15 C 0.2882(11) 0.7152(3) 0.0752(12) 0.0213(19) Uani 1 1 d .
C16 C 0.2243(10) 0.6910(3) -0.0669(10) 0.0152(17) Uiso 1 1 d .
C17 C -0.0451(10) 0.8467(3) -0.2242(11) 0.0160(17) Uani 1 1 d .
C18 C 0.0840(11) 0.8173(3) -0.2778(11) 0.0199(18) Uani 1 1 d .
C19 C -0.2870(11) 0.7195(3) -0.0876(11) 0.0176(18) Uani 1 1 d .
C20 C -0.2220(11) 0.6942(3) 0.0523(12) 0.0204(19) Uani 1 1 d .
C21 C 0.0063(15) 0.9680(4) 0.5238(13) 0.031(3) Uani 1 1 d .
H21A H -0.0340 0.9708 0.6241 0.037 Uiso 1 1 calc R
H21B H -0.0124 0.9953 0.4692 0.037 Uiso 1 1 calc R
C22 C 0.1759(13) 0.9585(3) 0.5360(13) 0.029(2) Uani 1 1 d .
H22A H 0.2204 0.9610 0.4376 0.035 Uiso 1 1 calc R
H22B H 0.2265 0.9790 0.6053 0.035 Uiso 1 1 calc R
C23 C 0.5065(13) 0.5691(4) 0.0241(14) 0.031(2) Uani 1 1 d .
H23A H 0.4471 0.5435 0.0492 0.037 Uiso 1 1 calc R
H23B H 0.6102 0.5644 0.0601 0.037 Uiso 1 1 calc R
C24 C 0.4996(13) 0.5769(3) -0.1473(14) 0.030(2) Uani 1 1 d .
H24A H 0.5517 0.5536 -0.1995 0.036 Uiso 1 1 calc R
H24B H 0.3955 0.5781 -0.1859 0.036 Uiso 1 1 calc R
Co1 Co 1.0163(2) 0.62647(4) 0.48888(17) 0.0186(3) Uani 1 1 d .
Co2 Co 1.48365(15) 0.40860(4) -0.02455(16) 0.0170(3) Uani 1 1 d .
Co3 Co 0.03126(15) 0.87716(4) 0.50767(16) 0.0182(3) Uani 1 1 d .
Co4 Co 0.50589(19) 0.66038(4) -0.0169(2) 0.0192(3) Uani 1 1 d .
Mn1 Mn 0.98606(16) 0.51719(5) -0.01606(17) 0.0174(3) Uani 1 1 d .
Mn2 Mn 0.00447(19) 0.76902(5) 0.00649(19) 0.0164(3) Uani 1 1 d .
N1 N 0.8975(11) 0.6754(3) 0.4177(10) 0.0235(18) Uani 1 1 d .
H1A H 0.9036 0.6780 0.3165 0.028 Uiso 1 1 calc R
H1B H 0.7999 0.6712 0.4391 0.028 Uiso 1 1 calc R
N2 N 1.1575(11) 0.6696(3) 0.5709(10) 0.0251(18) Uani 1 1 d .
H2A H 1.1497 0.6713 0.6721 0.030 Uiso 1 1 calc R
H2B H 1.2527 0.6615 0.5513 0.030 Uiso 1 1 calc R
N3 N 1.4245(9) 0.3611(3) 0.1027(10) 0.0240(18) Uani 1 1 d .
H3A H 1.4471 0.3675 0.2006 0.029 Uiso 1 1 calc R
H3B H 1.3241 0.3566 0.0920 0.029 Uiso 1 1 calc R
N4 N 1.5516(10) 0.3639(3) -0.1610(10) 0.0228(17) Uani 1 1 d .
H4A H 1.5167 0.3697 -0.2560 0.027 Uiso 1 1 calc R
H4B H 1.6534 0.3636 -0.1605 0.027 Uiso 1 1 calc R
N5 N -0.0666(10) 0.9310(3) 0.4416(10) 0.0251(18) Uani 1 1 d .
H5A H -0.0577 0.9345 0.3410 0.030 Uiso 1 1 calc R
H5B H -0.1657 0.9300 0.4612 0.030 Uiso 1 1 calc R
N6 N 0.1893(10) 0.9132(3) 0.5939(10) 0.0256(18) Uani 1 1 d .
H6A H 0.1840 0.9134 0.6956 0.031 Uiso 1 1 calc R
H6B H 0.2798 0.9020 0.5706 0.031 Uiso 1 1 calc R
N7 N 0.4447(11) 0.6085(3) 0.0932(12) 0.029(2) Uani 1 1 d .
H7A H 0.4783 0.6104 0.1905 0.035 Uiso 1 1 calc R
H7B H 0.3430 0.6068 0.0917 0.035 Uiso 1 1 calc R
N8 N 0.5760(9) 0.6196(3) -0.1682(11) 0.0226(17) Uani 1 1 d .
H8A H 0.5541 0.6301 -0.2618 0.027 Uiso 1 1 calc R
H8B H 0.6769 0.6163 -0.1575 0.027 Uiso 1 1 calc R
O1 O 0.8687(8) 0.5422(2) 0.1849(8) 0.0198(14) Uani 1 1 d .
O2 O 1.1276(8) 0.5835(2) 0.0947(8) 0.0222(14) Uani 1 1 d .
O3 O 0.8785(8) 0.5837(2) 0.3920(8) 0.0186(13) Uani 1 1 d .
O4 O 1.1243(8) 0.6239(2) 0.3059(8) 0.0212(14) Uani 1 1 d .
O5 O 1.1953(8) 0.4946(2) 0.1241(8) 0.0197(14) Uani 1 1 d .
O6 O 1.0777(7) 0.4500(2) -0.1251(8) 0.0180(13) Uani 1 1 d .
O7 O 1.4032(8) 0.4523(2) 0.1133(8) 0.0190(13) Uani 1 1 d .
O8 O 1.2897(7) 0.4101(2) -0.1279(7) 0.0181(13) Uani 1 1 d .
O9 O 1.1281(8) 0.5356(2) -0.2147(8) 0.0216(14) Uani 1 1 d .
O10 O 0.8833(8) 0.5819(2) -0.1264(9) 0.0227(14) Uani 1 1 d .
O11 O 1.1372(8) 0.5780(2) -0.4198(8) 0.0213(14) Uani 1 1 d .
O12 O 0.9035(8) 0.6251(2) -0.3300(8) 0.0211(14) Uani 1 1 d .
O13 O 0.7739(8) 0.4967(2) -0.1551(9) 0.0226(15) Uani 1 1 d .
O14 O 0.8735(8) 0.4561(2) 0.1054(8) 0.0219(14) Uani 1 1 d .
O15 O 0.5627(8) 0.4546(2) -0.1537(8) 0.0200(14) Uani 1 1 d .
O16 O 0.6751(8) 0.4105(2) 0.0852(8) 0.0199(13) Uani 1 1 d .
O17 O -0.1262(8) 0.7942(2) 0.2044(8) 0.0209(14) Uani 1 1 d .
O18 O 0.1366(8) 0.8322(2) 0.1157(8) 0.0197(14) Uani 1 1 d .
O19 O -0.1186(8) 0.8385(2) 0.4057(9) 0.0233(15) Uani 1 1 d .
O20 O 0.1379(7) 0.8741(2) 0.3257(8) 0.0191(13) Uani 1 1 d .
O21 O 0.2124(8) 0.7434(2) 0.1345(8) 0.0228(15) Uani 1 1 d .
O22 O 0.0989(8) 0.7005(2) -0.1181(8) 0.0230(15) Uani 1 1 d .
O23 O 0.4201(8) 0.7017(2) 0.1250(8) 0.0219(14) Uani 1 1 d .
O24 O 0.3142(8) 0.6613(2) -0.1189(9) 0.0226(15) Uani 1 1 d .
O25 O -0.1068(8) 0.8369(2) -0.1033(8) 0.0195(14) Uani 1 1 d .
O26 O 0.1323(8) 0.7873(2) -0.1933(8) 0.0178(13) Uani 1 1 d .
O27 O -0.0818(7) 0.8784(3) -0.3112(8) 0.0236(14) Uani 1 1 d .
O28 O 0.1348(8) 0.8265(2) -0.4085(8) 0.0208(14) Uani 1 1 d .
O29 O -0.2095(8) 0.7513(2) -0.1390(8) 0.0197(14) Uani 1 1 d .
O31 O -0.4194(8) 0.7087(2) -0.1342(8) 0.0188(13) Uani 1 1 d .
O32 O -0.3018(8) 0.6622(2) 0.0936(8) 0.0215(14) Uani 1 1 d .
O30 O -0.1026(8) 0.7069(2) 0.1132(8) 0.0198(14) Uani 1 1 d .
O91 O 1.3289(9) 0.5259(3) -0.5991(9) 0.0301(17) Uani 1 1 d .
O92 O -0.3332(9) 0.7936(3) 0.5783(10) 0.0308(17) Uani 1 1 d .
O93 O 0.3970(9) 0.4488(3) -0.4448(9) 0.0328(17) Uani 1 1 d .
O94 O 0.4923(10) 0.8727(3) 0.5550(11) 0.043(2) Uani 1 1 d .
O95 O 0.5685(10) 0.5818(3) 0.3894(11) 0.041(2) Uani 1 1 d .
O96 O 0.5890(10) 0.7195(3) 0.4000(10) 0.037(2) Uani 1 1 d .
O97 O 0.4700(10) 0.6501(3) 0.5449(11) 0.043(2) 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'
Co Co 0.3494 0.9721 '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'
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
O1 C1 O3 124.2(9) . .
O1 C1 C2 119.6(9) . .
O3 C1 C2 116.2(8) . .
O2 C2 O4 126.7(9) . .
O2 C2 C1 119.2(9) . .
O4 C2 C1 114.1(8) . .
O5 C3 O7 125.6(8) . .
O5 C3 C4 118.4(8) . .
O7 C3 C4 116.0(7) . .
O6 C4 O8 126.1(9) . .
O6 C4 C3 119.8(8) . .
O8 C4 C3 114.1(7) . .
O9 C5 O11 125.8(9) . .
O9 C5 C6 117.6(9) . .
O11 C5 C6 116.6(8) . .
O10 C6 O12 125.7(9) . .
O10 C6 C5 118.6(8) . .
O12 C6 C5 115.6(9) . .
O13 C7 O15 126.5(9) . .
O13 C7 C8 117.6(10) . .
O15 C7 C8 115.9(8) . .
O14 C8 O16 123.3(9) . .
O14 C8 C7 120.1(8) . .
O16 C8 C7 116.4(8) . .
N1 C9 C10 106.6(8) . .
N2 C10 C9 106.5(9) . .
N4 C11 C12 105.6(8) . .
N3 C12 C11 105.3(9) . .
O17 C13 O19 125.9(9) . .
O17 C13 C14 118.4(9) . .
O19 C13 C14 115.7(9) . .
O18 C14 O20 126.3(9) . .
O18 C14 C13 119.1(8) . .
O20 C14 C13 114.6(8) . .
O21 C15 O23 125.4(9) . .
O21 C15 C16 119.6(9) . .
O23 C15 C16 114.9(8) . .
O22 C16 O24 126.5(9) . .
O22 C16 C15 119.3(8) . .
O24 C16 C15 114.1(8) . .
O25 C17 O27 125.9(9) . .
O25 C17 C18 118.5(8) . .
O27 C17 C18 115.6(8) . .
O26 C18 O28 125.0(9) . .
O26 C18 C17 118.9(8) . .
O28 C18 C17 116.1(8) . .
O31 C19 O29 125.5(9) . .
O31 C19 C20 116.1(8) . .
O29 C19 C20 118.1(8) . .
O30 C20 O32 126.5(10) . .
O30 C20 C19 118.8(8) . .
O32 C20 C19 114.7(9) . .
N5 C21 C22 107.6(9) . .
N6 C22 C21 105.5(9) . .
N7 C23 C24 106.6(9) . .
N8 C24 C23 104.9(9) . .
O4 Co1 N1 92.3(4) . .
O4 Co1 O12 176.2(3) . 1_556
N1 Co1 O12 89.7(3) . 1_556
O4 Co1 N2 90.4(3) . .
N1 Co1 N2 86.3(4) . .
O12 Co1 N2 93.0(4) 1_556 .
O4 Co1 O3 85.8(3) . .
N1 Co1 O3 92.7(3) . .
O12 Co1 O3 90.9(3) 1_556 .
N2 Co1 O3 176.0(3) . .
O4 Co1 O11 92.0(3) . 1_556
N1 Co1 O11 175.1(3) . 1_556
O12 Co1 O11 86.3(3) 1_556 1_556
N2 Co1 O11 91.2(3) . 1_556
O3 Co1 O11 90.1(3) . 1_556
O8 Co2 N3 92.2(3) . .
O8 Co2 O16 176.4(3) . 1_655
N3 Co2 O16 89.0(3) . 1_655
O8 Co2 N4 90.8(3) . .
N3 Co2 N4 86.1(4) . .
O16 Co2 N4 92.7(3) 1_655 .
O8 Co2 O15 92.2(3) . 1_655
N3 Co2 O15 174.6(3) . 1_655
O16 Co2 O15 86.8(3) 1_655 1_655
N4 Co2 O15 90.8(3) . 1_655
O8 Co2 O7 86.5(3) . .
N3 Co2 O7 91.9(3) . .
O16 Co2 O7 90.0(3) 1_655 .
N4 Co2 O7 176.7(3) . .
O15 Co2 O7 91.4(3) 1_655 .
O20 Co3 N6 89.2(3) . .
O20 Co3 O27 177.7(3) . 1_556
N6 Co3 O27 93.0(4) . 1_556
O20 Co3 O28 92.4(3) . 1_556
N6 Co3 O28 88.6(4) . 1_556
O27 Co3 O28 87.2(3) 1_556 1_556
O20 Co3 N5 91.0(3) . .
N6 Co3 N5 87.0(4) . .
O27 Co3 N5 89.6(4) 1_556 .
O28 Co3 N5 174.4(3) 1_556 .
O20 Co3 O19 86.1(3) . .
N6 Co3 O19 175.0(4) . .
O27 Co3 O19 91.7(3) 1_556 .
O28 Co3 O19 90.0(3) 1_556 .
N5 Co3 O19 94.7(4) . .
O24 Co4 O31 93.0(3) . 1_655
O24 Co4 O32 176.8(3) . 1_655
O31 Co4 O32 86.3(3) 1_655 1_655
O24 Co4 N8 89.2(3) . .
O31 Co4 N8 89.6(3) 1_655 .
O32 Co4 N8 93.9(3) 1_655 .
O24 Co4 N7 89.4(4) . .
O31 Co4 N7 174.8(4) 1_655 .
O32 Co4 N7 91.6(4) 1_655 .
N8 Co4 N7 85.9(4) . .
O24 Co4 O23 86.1(3) . .
O31 Co4 O23 90.2(3) 1_655 .
O32 Co4 O23 90.8(3) 1_655 .
N8 Co4 O23 175.3(3) . .
N7 Co4 O23 94.6(4) . .
O1 Mn1 O9 145.3(3) . .
O1 Mn1 O13 97.1(3) . .
O9 Mn1 O13 96.9(3) . .
O1 Mn1 O5 93.6(3) . .
O9 Mn1 O5 91.8(3) . .
O13 Mn1 O5 146.8(3) . .
O1 Mn1 O10 82.0(3) . .
O9 Mn1 O10 72.0(2) . .
O13 Mn1 O10 73.2(3) . .
O5 Mn1 O10 139.7(3) . .
O1 Mn1 O14 72.0(2) . .
O9 Mn1 O14 142.6(2) . .
O13 Mn1 O14 71.4(3) . .
O5 Mn1 O14 82.3(3) . .
O10 Mn1 O14 132.4(3) . .
O1 Mn1 O6 141.5(2) . .
O9 Mn1 O6 72.3(2) . .
O13 Mn1 O6 80.6(3) . .
O5 Mn1 O6 71.7(2) . .
O10 Mn1 O6 132.1(3) . .
O14 Mn1 O6 70.8(2) . .
O26 Mn2 O21 93.1(3) . .
O26 Mn2 O17 145.6(3) . .
O21 Mn2 O17 99.2(3) . .
O26 Mn2 O29 92.8(3) . .
O21 Mn2 O29 146.3(3) . .
O17 Mn2 O29 94.4(3) . .
O26 Mn2 O30 139.3(2) . .
O21 Mn2 O30 81.6(3) . .
O17 Mn2 O30 74.7(2) . .
O29 Mn2 O30 72.5(2) . .
O26 Mn2 O18 82.2(2) . .
O21 Mn2 O18 72.7(3) . .
O17 Mn2 O18 71.2(2) . .
O29 Mn2 O18 141.0(3) . .
O30 Mn2 O18 132.7(2) . .
O26 Mn2 O25 71.6(2) . .
O21 Mn2 O25 142.1(3) . .
O17 Mn2 O25 79.2(3) . .
O29 Mn2 O25 70.8(2) . .
O30 Mn2 O25 132.5(2) . .
O18 Mn2 O25 70.9(2) . .
O26 Mn2 O22 70.7(3) . .
O21 Mn2 O22 69.9(3) . .
O17 Mn2 O22 143.7(3) . .
O29 Mn2 O22 80.9(2) . .
O30 Mn2 O22 69.6(3) . .
O18 Mn2 O22 131.8(2) . .
O25 Mn2 O22 131.0(2) . .
C9 N1 Co1 108.9(7) . .
C10 N2 Co1 109.5(7) . .
C12 N3 Co2 108.1(7) . .
C11 N4 Co2 108.9(6) . .
C21 N5 Co3 108.4(7) . .
C22 N6 Co3 110.5(7) . .
C23 N7 Co4 110.0(7) . .
C24 N8 Co4 108.4(7) . .
C1 O1 Mn1 120.2(6) . .
C1 O3 Co1 110.6(6) . .
C2 O4 Co1 113.0(6) . .
C3 O5 Mn1 115.7(6) . .
C4 O6 Mn1 112.3(6) . .
C3 O7 Co2 110.5(6) . .
C4 O8 Co2 112.4(6) . .
C5 O9 Mn1 117.3(6) . .
C6 O10 Mn1 113.9(6) . .
C5 O11 Co1 109.8(6) . 1_554
C6 O12 Co1 111.5(6) . 1_554
C7 O13 Mn1 117.4(7) . .
C8 O14 Mn1 112.9(6) . .
C7 O15 Co2 110.0(6) . 1_455
C8 O16 Co2 110.4(6) . 1_455
C13 O17 Mn2 118.0(6) . .
C14 O18 Mn2 112.5(6) . .
C13 O19 Co3 110.3(6) . .
C14 O20 Co3 111.9(6) . .
C15 O21 Mn2 118.5(7) . .
C16 O22 Mn2 110.3(6) . .
C15 O23 Co4 110.7(6) . .
C16 O24 Co4 113.1(6) . .
C17 O25 Mn2 110.6(6) . .
C18 O26 Mn2 119.4(6) . .
C17 O27 Co3 111.1(6) . 1_554
C18 O28 Co3 110.0(6) . 1_554
C19 O29 Mn2 114.7(6) . .
C19 O31 Co4 110.7(6) . 1_455
C20 O32 Co4 111.6(7) . 1_455
C20 O30 Mn2 115.6(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.241(11) .
C1 O3 1.271(12) .
C1 C2 1.548(14) .
C2 O2 1.220(12) .
C2 O4 1.278(12) .
C3 O5 1.249(11) .
C3 O7 1.281(11) .
C3 C4 1.558(12) .
C4 O6 1.211(11) .
C4 O8 1.294(11) .
C5 O9 1.245(11) .
C5 O11 1.256(12) .
C5 C6 1.548(13) .
C6 O10 1.241(12) .
C6 O12 1.274(12) .
C7 O13 1.245(12) .
C7 O15 1.291(13) .
C7 C8 1.518(13) .
C8 O14 1.246(12) .
C8 O16 1.295(11) .
C9 N1 1.476(13) .
C9 C10 1.506(17) .
C10 N2 1.435(12) .
C11 N4 1.483(13) .
C11 C12 1.489(17) .
C12 N3 1.476(14) .
C13 O17 1.242(12) .
C13 O19 1.259(12) .
C13 C14 1.549(13) .
C14 O18 1.226(12) .
C14 O20 1.293(11) .
C15 O21 1.218(12) .
C15 O23 1.298(13) .
C15 C16 1.543(13) .
C16 O22 1.216(11) .
C16 O24 1.297(11) .
C17 O25 1.252(11) .
C17 O27 1.268(11) .
C17 C18 1.536(13) .
C18 O26 1.244(12) .
C18 O28 1.284(12) .
C19 O31 1.269(12) .
C19 O29 1.277(11) .
C19 C20 1.547(13) .
C20 O30 1.228(12) .
C20 O32 1.264(12) .
C21 N5 1.474(13) .
C21 C22 1.526(17) .
C22 N6 1.472(13) .
C23 N7 1.458(15) .
C23 C24 1.530(17) .
C24 N8 1.478(12) .
Co1 O4 1.908(7) .
Co1 N1 1.913(9) .
Co1 O12 1.916(7) 1_556
Co1 N2 1.931(9) .
Co1 O3 1.955(7) .
Co1 O11 1.974(7) 1_556
Co2 O8 1.912(7) .
Co2 N3 1.914(9) .
Co2 O16 1.919(7) 1_655
Co2 N4 1.926(8) .
Co2 O15 1.950(7) 1_655
Co2 O7 1.952(7) .
Co3 O20 1.895(7) .
Co3 N6 1.912(9) .
Co3 O27 1.917(7) 1_556
Co3 O28 1.925(7) 1_556
Co3 N5 1.931(9) .
Co3 O19 1.964(7) .
Co4 O24 1.889(7) .
Co4 O31 1.928(7) 1_655
Co4 O32 1.929(7) 1_655
Co4 N8 1.940(9) .
Co4 N7 1.940(8) .
Co4 O23 1.947(7) .
Mn1 O1 2.222(7) .
Mn1 O9 2.264(7) .
Mn1 O13 2.289(8) .
Mn1 O5 2.291(7) .
Mn1 O10 2.361(7) .
Mn1 O14 2.381(7) .
Mn1 O6 2.411(7) .
Mn2 O26 2.201(7) .
Mn2 O21 2.259(7) .
Mn2 O17 2.263(7) .
Mn2 O29 2.309(7) .
Mn2 O30 2.328(7) .
Mn2 O18 2.427(7) .
Mn2 O25 2.468(7) .
Mn2 O22 2.513(7) .
O11 Co1 1.974(7) 1_554
O12 Co1 1.916(7) 1_554
O15 Co2 1.950(7) 1_455
O16 Co2 1.919(7) 1_455
O27 Co3 1.917(7) 1_554
O28 Co3 1.925(7) 1_554
O31 Co4 1.928(7) 1_455
O32 Co4 1.929(7) 1_455
