#------------------------------------------------------------------------------
#$Date: 2015-12-23 09:49:40 +0200 (Wed, 23 Dec 2015) $
#$Revision: 171720 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223611.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_7223611
loop_
_publ_author_name
'Nemec, Ivan'
'Herchel, Radovan'
'Travnicek, Zdenek'
'Silha, Tomas'
_publ_section_title
;
 Field-induced slow relaxation of magnetization in dinuclear and
 trinuclear CoIII•••MnIII complexes
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA23922B
_journal_year                    2015
_chemical_formula_sum            'C64 H72 Co2 Mn N10 O10'
_chemical_formula_weight         1314.14
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-11-02 deposited with the CCDC.
2015-12-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 126.0410(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.108(2)
_cell_length_b                   9.1128(4)
_cell_length_c                   23.8187(18)
_cell_measurement_temperature    120(2)
_cell_volume                     6161.8(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_laue_measured_fraction_full 0.966
_diffrn_reflns_laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22119
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.841
_exptl_absorpt_coefficient_mu    0.801
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
face-indexed (CrysAlis RED; Oxford Diffraction, 2006)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_description       block
_exptl_crystal_F_000             2739
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         5246
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0352
_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)+(0.0509P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0859
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3777
_reflns_number_total             5246
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ra23922b2.cif
_cod_data_source_block           4
_cod_original_cell_volume        6161.7(6)
_cod_database_code               7223611
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.819
_shelx_estimated_absorpt_t_max   0.869
_exptl_absorpt_special_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C25B C 0.04552(19) 0.5182(8) 0.5081(3) 0.0240(10) Uani 0.497(7) 1 d . . P A 2
H25B H 0.0527 0.5202 0.5533 0.029 Uiso 0.497(7) 1 calc R U P A 2
C24B C 0.04056(18) 0.6482(7) 0.4737(3) 0.0240(10) Uani 0.497(7) 1 d . . P A 2
H24B H 0.0445 0.7395 0.4958 0.029 Uiso 0.497(7) 1 calc R U P A 2
C26B C 0.03982(18) 0.3876(7) 0.4758(3) 0.0240(10) Uani 0.497(7) 1 d . . P A 2
H26B H 0.0436 0.2989 0.4995 0.029 Uiso 0.497(7) 1 calc R U P A 2
C23B C 0.03005(19) 0.6465(7) 0.4085(3) 0.0240(10) Uani 0.497(7) 1 d . . P A 2
H23B H 0.0269 0.7365 0.3859 0.029 Uiso 0.497(7) 1 calc R U P A 2
C27B C 0.0286(2) 0.3800(7) 0.4086(3) 0.0240(10) Uani 0.497(7) 1 d . . P A 2
C22B C 0.0239(2) 0.5115(7) 0.3741(3) 0.0240(10) Uani 0.497(7) 1 d . . P A 2
C28B C 0.0253(3) 0.2374(8) 0.3768(3) 0.0240(10) Uani 0.497(7) 1 d D . P A 2
H28B H 0.0316 0.1544 0.4052 0.029 Uiso 0.497(7) 1 calc R U P A 2
C1 C 0.14055(8) -0.0045(3) 0.33458(13) 0.0181(6) Uani 1 1 d . . . . .
C2 C 0.13846(8) -0.0944(3) 0.38151(14) 0.0213(6) Uani 1 1 d . . . . .
C3 C 0.10669(9) -0.2083(3) 0.35772(16) 0.0289(7) Uani 1 1 d . . . . .
H3 H 0.1059 -0.2668 0.3900 0.035 Uiso 1 1 calc R U . . .
C4 C 0.07571(10) -0.2391(3) 0.28703(18) 0.0327(8) Uani 1 1 d . . . . .
H4 H 0.0537 -0.3172 0.2713 0.039 Uiso 1 1 calc R U . . .
C5 C 0.07717(9) -0.1569(3) 0.24079(17) 0.0316(8) Uani 1 1 d . . . . .
H5 H 0.0565 -0.1793 0.1927 0.038 Uiso 1 1 calc R U . . .
C6 C 0.10898(8) -0.0386(3) 0.26329(14) 0.0220(6) Uani 1 1 d . . . . .
C7 C 0.10739(9) 0.0453(3) 0.21080(14) 0.0272(7) Uani 1 1 d . . . . .
H7 H 0.0887 0.0084 0.1647 0.033 Uiso 1 1 calc R U . . .
C8 C 0.12651(10) 0.2453(3) 0.16629(14) 0.0312(7) Uani 1 1 d . . . . .
H8A H 0.0977 0.2172 0.1205 0.037 Uiso 1 1 calc R U . . .
H8B H 0.1542 0.2230 0.1666 0.037 Uiso 1 1 calc R U . . .
C9 C 0.12536(9) 0.4062(3) 0.17998(14) 0.0305(7) Uani 1 1 d . . . . .
H9A H 0.1292 0.4666 0.1490 0.037 Uiso 1 1 calc R U . . .
H9B H 0.0950 0.4318 0.1715 0.037 Uiso 1 1 calc R U . . .
C10 C 0.16045(9) 0.5826(3) 0.27416(15) 0.0290(7) Uani 1 1 d . . . . .
H10A H 0.1296 0.5912 0.2663 0.035 Uiso 1 1 calc R U . . .
H10B H 0.1612 0.6555 0.2440 0.035 Uiso 1 1 calc R U . . .
C11 C 0.19878(10) 0.6194(3) 0.34891(16) 0.0297(7) Uani 1 1 d . . . . .
H11A H 0.1946 0.7222 0.3578 0.036 Uiso 1 1 calc R U . . .
H11B H 0.2296 0.6128 0.3564 0.036 Uiso 1 1 calc R U . . .
C12 C 0.19961(9) 0.5199(3) 0.40105(14) 0.0226(6) Uani 1 1 d . . . . .
H12A H 0.2233 0.5555 0.4489 0.027 Uiso 1 1 calc R U . . .
H12B H 0.1684 0.5202 0.3925 0.027 Uiso 1 1 calc R U . . .
C13 C 0.25315(8) 0.3234(3) 0.43970(13) 0.0175(6) Uani 1 1 d . . . . .
H13 H 0.2707 0.3750 0.4825 0.021 Uiso 1 1 calc R U . . .
C14 C 0.27584(8) 0.1991(3) 0.43312(13) 0.0176(6) Uani 1 1 d . . . . .
C15 C 0.31947(8) 0.1520(3) 0.49251(14) 0.0218(6) Uani 1 1 d . . . . .
H15 H 0.3314 0.1947 0.5364 0.026 Uiso 1 1 calc R U . . .
C16 C 0.34473(9) 0.0456(3) 0.48765(15) 0.0262(7) Uani 1 1 d . . . . .
H16 H 0.3739 0.0129 0.5280 0.031 Uiso 1 1 calc R U . . .
C17 C 0.32729(9) -0.0146(3) 0.42292(15) 0.0251(7) Uani 1 1 d . . . . .
H17 H 0.3446 -0.0899 0.4197 0.030 Uiso 1 1 calc R U . . .
C18 C 0.28561(8) 0.0324(3) 0.36369(14) 0.0191(6) Uani 1 1 d . . . . .
C19 C 0.25823(8) 0.1419(3) 0.36736(13) 0.0162(6) Uani 1 1 d . . . . .
C20 C 0.11346(9) 0.3262(3) 0.29903(13) 0.0180(6) Uani 1 1 d . . . . .
C22A C 0.02334(19) 0.4696(5) 0.38363(18) 0.0271(11) Uani 0.503(7) 1 d G . P A 1
C23A C 0.03150(15) 0.5891(4) 0.4256(2) 0.0271(11) Uani 0.503(7) 1 d G . P A 1
H23A H 0.0277 0.6861 0.4084 0.032 Uiso 0.503(7) 1 calc R U P A 1
C24A C 0.04523(14) 0.5669(5) 0.4929(2) 0.0271(11) Uani 0.503(7) 1 d G . P A 1
H24A H 0.0508 0.6485 0.5216 0.032 Uiso 0.503(7) 1 calc R U P A 1
C25A C 0.05082(14) 0.4250(6) 0.51817(17) 0.0271(11) Uani 0.503(7) 1 d G . P A 1
H25A H 0.0602 0.4098 0.5642 0.032 Uiso 0.503(7) 1 calc R U P A 1
C26A C 0.04266(15) 0.3055(4) 0.4762(2) 0.0271(11) Uani 0.503(7) 1 d G . P A 1
H26A H 0.0465 0.2086 0.4934 0.032 Uiso 0.503(7) 1 calc R U P A 1
C27A C 0.02893(19) 0.3278(4) 0.4089(2) 0.0271(11) Uani 0.503(7) 1 d G . P A 1
C28A C 0.0230(3) 0.2006(9) 0.3728(4) 0.0271(11) Uani 0.503(7) 1 d D . P A 1
H28A H 0.0252 0.1078 0.3926 0.032 Uiso 0.503(7) 1 calc R U P A 1
C29 C 0.01758(9) 0.0636(3) 0.28861(17) 0.0397(9) Uani 1 1 d . . . . .
H29A H 0.0104 -0.0166 0.3092 0.048 Uiso 1 1 calc R U . . .
H29B H 0.0496 0.0477 0.3012 0.048 Uiso 1 1 calc R U . . .
C30 C 0.16416(10) -0.1180(4) 0.49999(16) 0.0401(8) Uani 1 1 d . . . . .
H30A H 0.1935 -0.1037 0.5472 0.048 Uiso 1 1 calc R U . . .
H30B H 0.1585 -0.2249 0.4919 0.048 Uiso 1 1 calc R U . . .
C31 C 0.12394(11) -0.0488(4) 0.49612(18) 0.0522(9) Uani 1 1 d . . . . .
H31A H 0.1288 0.0576 0.5023 0.078 Uiso 1 1 calc R U . . .
H31B H 0.1223 -0.0891 0.5328 0.078 Uiso 1 1 calc R U . . .
H31C H 0.0944 -0.0696 0.4507 0.078 Uiso 1 1 calc R U . . .
C32 C 0.22893(9) -0.1066(3) 0.26302(16) 0.0320(7) Uani 1 1 d . . . . .
H32A H 0.2095 -0.0796 0.2791 0.038 Uiso 1 1 calc R U . . .
H32B H 0.2367 -0.2122 0.2725 0.038 Uiso 1 1 calc R U . . .
C33 C 0.20204(10) -0.0777(4) 0.18680(16) 0.0420(8) Uani 1 1 d . . . . .
H33A H 0.1958 0.0277 0.1780 0.063 Uiso 1 1 calc R U . . .
H33B H 0.1721 -0.1314 0.1619 0.063 Uiso 1 1 calc R U . . .
H33C H 0.2206 -0.1105 0.1706 0.063 Uiso 1 1 calc R U . . .
Co1 Co 0.16819(2) 0.26445(4) 0.30811(2) 0.01595(11) Uani 1 1 d . . . . .
Mn1 Mn 0.0000 0.36936(6) 0.2500 0.01652(15) Uani 1 2 d S T P A .
N1 N 0.12934(7) 0.1659(3) 0.22192(11) 0.0222(5) Uani 1 1 d . . . . .
N2 N 0.16468(7) 0.4330(2) 0.25334(11) 0.0222(5) Uani 1 1 d . . . . .
H1N2 H 0.1943 0.4319 0.2562 0.027 Uiso 1 1 calc R U . . .
N3 N 0.21159(7) 0.3702(2) 0.39301(11) 0.0161(5) Uani 1 1 d . . . . .
N4 N 0.07790(7) 0.3544(2) 0.28905(12) 0.0227(5) Uani 1 1 d . . . . .
N5 N 0.01514(7) 0.2068(2) 0.31541(12) 0.0262(6) Uani 1 1 d D . . . .
O1 O 0.17208(5) 0.10110(17) 0.36079(9) 0.0181(3) Uani 1 1 d . . . . .
O2 O 0.21979(5) 0.19040(18) 0.30912(9) 0.0181(3) Uani 1 1 d . . . . .
O3A O 0.01313(19) 0.5000(6) 0.3216(3) 0.0181(3) Uani 0.503(7) 1 d . . P A 1
O3B O 0.01361(19) 0.5216(6) 0.3103(3) 0.0181(3) Uani 0.497(7) 1 d . . P A 2
O5 O 0.27179(6) -0.02046(19) 0.29971(10) 0.0258(5) Uani 1 1 d . . . . .
O6 O 0.17035(6) -0.0579(2) 0.45029(10) 0.0302(5) 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 0.0030 0.0020 '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 0.3490 0.9720 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0170 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3370 0.7280 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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
C26B C25B C24B 118.8(6) . .
C23B C24B C25B 121.0(6) . .
C25B C26B C27B 122.3(5) . .
C24B C23B C22B 120.7(5) . .
C26B C27B C22B 118.7(5) . .
C26B C27B C28B 120.9(5) . .
C22B C27B C28B 120.2(5) . .
O3B C22B C27B 125.5(6) . .
O3B C22B C23B 116.1(5) . .
C27B C22B C23B 118.4(6) . .
N5 C28B C27B 130.3(6) . .
O1 C1 C6 125.3(2) . .
O1 C1 C2 117.8(2) . .
C6 C1 C2 116.9(2) . .
O6 C2 C3 124.5(3) . .
O6 C2 C1 114.5(2) . .
C3 C2 C1 120.9(3) . .
C2 C3 C4 121.1(3) . .
C5 C4 C3 119.6(3) . .
C4 C5 C6 120.8(3) . .
C5 C6 C1 120.7(3) . .
C5 C6 C7 117.3(3) . .
C1 C6 C7 122.0(2) . .
N1 C7 C6 124.5(2) . .
N1 C8 C9 106.4(2) . .
N2 C9 C8 106.9(2) . .
N2 C10 C11 113.7(2) . .
C10 C11 C12 113.9(2) . .
N3 C12 C11 108.4(2) . .
N3 C13 C14 125.9(2) . .
C19 C14 C15 120.8(2) . .
C19 C14 C13 120.2(2) . .
C15 C14 C13 118.2(2) . .
C16 C15 C14 120.6(3) . .
C15 C16 C17 119.3(2) . .
C18 C17 C16 121.5(2) . .
C17 C18 O5 119.6(2) . .
C17 C18 C19 120.4(3) . .
O5 C18 C19 119.9(2) . .
O2 C19 C14 123.8(2) . .
O2 C19 C18 118.7(2) . .
C14 C19 C18 117.3(2) . .
N4 C20 Co1 173.9(2) . .
O3A C22A C23A 116.4(4) . .
O3A C22A C27A 123.5(4) . .
C23A C22A C27A 120.0 . .
C22A C23A C24A 120.0 . .
C23A C24A C25A 120.0 . .
C26A C25A C24A 120.0 . .
C27A C26A C25A 120.0 . .
C28A C27A C26A 114.7(4) . .
C28A C27A C22A 125.3(4) . .
C26A C27A C22A 120.0 . .
N5 C28A C27A 120.5(6) . .
N5 C29 C29 108.41(15) . 2
O6 C30 C31 112.6(3) . .
O5 C32 C33 109.1(2) . .
C20 Co1 N1 88.96(10) . .
C20 Co1 O1 88.97(9) . .
N1 Co1 O1 94.04(9) . .
C20 Co1 O2 174.31(9) . .
N1 Co1 O2 85.38(8) . .
O1 Co1 O2 90.90(7) . .
C20 Co1 N3 95.40(10) . .
N1 Co1 N3 174.36(9) . .
O1 Co1 N3 89.62(8) . .
O2 Co1 N3 90.29(8) . .
C20 Co1 N2 91.64(10) . .
N1 Co1 N2 85.83(10) . .
O1 Co1 N2 179.37(8) . .
O2 Co1 N2 88.47(8) . .
N3 Co1 N2 90.46(9) . .
O3B Mn1 O3B 82.6(3) . 2
O3A Mn1 O3A 102.4(3) 2 .
O3B Mn1 N5 179.5(2) . 2
O3B Mn1 N5 97.06(17) 2 2
O3A Mn1 N5 87.24(16) 2 2
O3A Mn1 N5 169.90(16) . 2
O3B Mn1 N5 97.06(17) . .
O3B Mn1 N5 179.5(2) 2 .
O3A Mn1 N5 169.91(16) 2 .
O3A Mn1 N5 87.23(16) . .
N5 Mn1 N5 83.29(14) 2 .
O3B Mn1 N4 91.60(18) . .
O3B Mn1 N4 93.47(18) 2 .
O3A Mn1 N4 90.17(17) 2 .
O3A Mn1 N4 94.05(17) . .
N5 Mn1 N4 88.79(8) 2 .
N5 Mn1 N4 86.17(8) . .
O3B Mn1 N4 93.46(18) . 2
O3B Mn1 N4 91.60(18) 2 2
O3A Mn1 N4 94.05(17) 2 2
O3A Mn1 N4 90.17(17) . 2
N5 Mn1 N4 86.18(8) 2 2
N5 Mn1 N4 88.79(8) . 2
N4 Mn1 N4 173.26(10) . 2
C7 N1 C8 121.8(2) . .
C7 N1 Co1 126.5(2) . .
C8 N1 Co1 111.69(18) . .
C9 N2 C10 109.8(2) . .
C9 N2 Co1 107.78(16) . .
C10 N2 Co1 118.24(17) . .
C13 N3 C12 117.5(2) . .
C13 N3 Co1 122.59(17) . .
C12 N3 Co1 119.31(16) . .
C20 N4 Mn1 166.9(2) . .
C28A N5 C29 114.1(4) . .
C28B N5 C29 128.4(4) . .
C28A N5 Mn1 133.7(4) . .
C28B N5 Mn1 119.2(4) . .
C29 N5 Mn1 112.18(19) . .
C1 O1 Co1 123.15(15) . .
C19 O2 Co1 120.34(16) . .
C22A O3A Mn1 129.2(4) . .
C22B O3B Mn1 127.1(4) . .
C18 O5 C32 114.8(2) . .
C2 O6 C30 118.7(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C25B C26B 1.366(8) .
C25B C24B 1.393(8) .
C24B C23B 1.370(8) .
C26B C27B 1.406(8) .
C23B C22B 1.422(8) .
C27B C22B 1.406(8) .
C27B C28B 1.475(8) .
C22B O3B 1.343(9) .
C28B N5 1.315(4) .
C1 O1 1.315(3) .
C1 C6 1.412(4) .
C1 C2 1.422(4) .
C2 O6 1.374(3) .
C2 C3 1.378(4) .
C3 C4 1.394(4) .
C4 C5 1.358(4) .
C5 C6 1.412(4) .
C6 C7 1.438(4) .
C7 N1 1.278(3) .
C8 N1 1.461(3) .
C8 C9 1.508(4) .
C9 N2 1.477(3) .
C10 N2 1.488(3) .
C10 C11 1.508(4) .
C11 C12 1.524(4) .
C12 N3 1.473(3) .
C13 N3 1.280(3) .
C13 C14 1.445(3) .
C14 C19 1.403(4) .
C14 C15 1.408(3) .
C15 C16 1.364(4) .
C16 C17 1.394(4) .
C17 C18 1.373(4) .
C18 O5 1.386(3) .
C18 C19 1.423(3) .
C19 O2 1.319(3) .
C20 N4 1.154(3) .
C20 Co1 1.889(3) .
C22A O3A 1.329(6) .
C22A C23A 1.3900 .
C22A C27A 1.3900 .
C23A C24A 1.3900 .
C24A C25A 1.3900 .
C25A C26A 1.3900 .
C26A C27A 1.3900 .
C27A C28A 1.385(7) .
C28A N5 1.225(7) .
C29 N5 1.477(4) .
C29 C29 1.495(6) 2
C30 O6 1.432(3) .
C30 C31 1.499(5) .
C32 O5 1.448(3) .
C32 C33 1.496(4) .
Co1 N1 1.894(2) .
Co1 O1 1.8995(17) .
Co1 O2 1.9200(16) .
Co1 N3 1.927(2) .
Co1 N2 1.971(2) .
Mn1 O3B 1.846(6) .
Mn1 O3B 1.846(6) 2
Mn1 O3A 1.900(7) 2
Mn1 O3A 1.900(7) .
Mn1 N5 1.982(2) 2
Mn1 N5 1.982(2) .
Mn1 N4 2.317(2) .
Mn1 N4 2.317(2) 2
