#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:40:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179857 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/53/7015365.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_7015365
loop_
_publ_author_name
'Zhou, Hong-Bo'
'Wang, Hui-Sheng'
'Chen, Ying'
'Xu, Yong-Lu'
'Song, Xiao-Jiao'
'Song, You'
'Zhang, Yi-Quan'
'You, Xiao-Zeng'
_publ_section_title
;
 Synthesis, structure, magnetic properties and DFT calculations of two
 hydroxo-bridged complexes based on Mn(III)(Schiff-Bases).
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5999
_journal_page_last               6006
_journal_paper_doi               10.1039/c0dt01544j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C52 H64 Cl Cr Mn2 N6 O22'
_chemical_formula_weight         1322.42
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 109.077(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.953(5)
_cell_length_b                   13.837(3)
_cell_length_c                   24.997(6)
_cell_measurement_temperature    293(2)
_cell_volume                     6196(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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    0.0638
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            32799
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.8565
_exptl_absorpt_correction_T_min  0.8454
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2740
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.688
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         12004
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0965
_refine_ls_R_factor_gt           0.0660
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1676
_refine_ls_wR_factor_ref         0.1782
_reflns_number_gt                8043
_reflns_number_total             12004
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01544j.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        6195(3)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7015365
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8571(3) -0.2974(3) 0.4905(2) 0.0599(12) Uani 1 1 d . . .
H62A H 0.8891 -0.3516 0.4916 0.090 Uiso 1 1 calc R . .
H62B H 0.8315 -0.2800 0.4518 0.090 Uiso 1 1 calc R . .
H62C H 0.8212 -0.3144 0.5085 0.090 Uiso 1 1 calc R . .
C2 C 0.9405(3) -0.2233(3) 0.5764(2) 0.0522(11) Uani 1 1 d . . .
C3 C 0.9437(3) -0.3072(4) 0.6079(2) 0.0623(12) Uani 1 1 d . . .
H50 H 0.9179 -0.3625 0.5913 0.075 Uiso 1 1 calc R . .
C4 C 0.9853(3) -0.3063(4) 0.6631(2) 0.0640(14) Uani 1 1 d . . .
H67 H 0.9886 -0.3625 0.6842 0.077 Uiso 1 1 calc R . .
C5 C 1.0223(3) -0.2266(4) 0.6888(2) 0.0647(13) Uani 1 1 d . . .
H66 H 1.0502 -0.2279 0.7271 0.078 Uiso 1 1 calc R . .
C6 C 1.0181(3) -0.1428(4) 0.6575(2) 0.0571(11) Uani 1 1 d . . .
C7 C 0.9750(2) -0.1370(3) 0.6010(2) 0.0504(10) Uani 1 1 d . . .
C8 C 1.0657(3) -0.0610(3) 0.6852(2) 0.0565(11) Uani 1 1 d . . .
H58 H 1.0997 -0.0701 0.7213 0.068 Uiso 1 1 calc R . .
C9 C 1.1176(3) 0.0954(4) 0.6925(2) 0.0690(14) Uani 1 1 d . . .
H65A H 1.1317 0.0847 0.7329 0.083 Uiso 1 1 calc R . .
H65B H 1.1620 0.0918 0.6814 0.083 Uiso 1 1 calc R . .
C10 C 1.0816(3) 0.1897(4) 0.67751(19) 0.0601(12) Uani 1 1 d . . .
H64A H 1.1199 0.2390 0.6851 0.072 Uiso 1 1 calc R . .
H64B H 1.0518 0.2024 0.7018 0.072 Uiso 1 1 calc R . .
C11 C 1.0117(3) 0.2753(4) 0.5883(2) 0.0567(11) Uani 1 1 d . . .
H42 H 1.0319 0.3319 0.6073 0.068 Uiso 1 1 calc R . .
C12 C 0.9639(3) 0.2875(4) 0.5336(2) 0.0594(12) Uani 1 1 d . . .
C13 C 0.9523(3) 0.3801(3) 0.5103(2) 0.0589(12) Uani 1 1 d . . .
H60 H 0.9777 0.4316 0.5321 0.071 Uiso 1 1 calc R . .
C14 C 0.9072(3) 0.3975(4) 0.4590(3) 0.0696(14) Uani 1 1 d . . .
H63 H 0.8994 0.4604 0.4452 0.084 Uiso 1 1 calc R . .
C15 C 0.8709(3) 0.3196(4) 0.4254(2) 0.0593(12) Uani 1 1 d . . .
H56 H 0.8397 0.3306 0.3885 0.071 Uiso 1 1 calc R . .
C16 C 0.8809(3) 0.2282(3) 0.44621(19) 0.0500(10) Uani 1 1 d . . .
C17 C 0.9286(2) 0.2069(3) 0.50186(19) 0.0482(10) Uani 1 1 d . . .
C18 C 0.7932(3) 0.1552(4) 0.3596(2) 0.0645(13) Uani 1 1 d . . .
H69A H 0.7554 0.2012 0.3598 0.097 Uiso 1 1 calc R . .
H69B H 0.7706 0.0934 0.3477 0.097 Uiso 1 1 calc R . .
H69C H 0.8181 0.1764 0.3338 0.097 Uiso 1 1 calc R . .
C19 C 0.8215(3) 0.4028(3) 0.6384(2) 0.0562(12) Uani 1 1 d . . .
H71 H 0.8371 0.4061 0.6777 0.067 Uiso 1 1 calc R . .
C20 C 0.8129(3) 0.4814(4) 0.6089(2) 0.0606(12) Uani 1 1 d . . .
H72 H 0.8276 0.5400 0.6274 0.073 Uiso 1 1 calc R . .
C21 C 0.7711(3) 0.3905(3) 0.5245(2) 0.0618(13) Uani 1 1 d . . .
H59 H 0.7557 0.3905 0.4851 0.074 Uiso 1 1 calc R . .
C22 C 0.7807(2) 0.3018(3) 0.55271(19) 0.0491(10) Uani 1 1 d . . .
C23 C 0.8070(2) 0.3100(3) 0.61069(19) 0.0468(10) Uani 1 1 d . . .
C24 C 0.7638(2) 0.2149(3) 0.51995(17) 0.0440(9) Uani 1 1 d . . .
H14 H 0.7466 0.2199 0.4807 0.053 Uiso 1 1 calc R . .
C25 C 0.7412(3) 0.0473(3) 0.50559(18) 0.0551(11) Uani 1 1 d . . .
H24A H 0.7465 0.0568 0.4686 0.066 Uiso 1 1 calc R . .
H24B H 0.6885 0.0395 0.5006 0.066 Uiso 1 1 calc R . .
C26 C 0.7833(3) -0.0416(3) 0.53292(19) 0.0553(11) Uani 1 1 d . . .
H23A H 0.7567 -0.0993 0.5152 0.066 Uiso 1 1 calc R . .
H23B H 0.8325 -0.0423 0.5289 0.066 Uiso 1 1 calc R . .
C27 C 0.7922(2) -0.1154(3) 0.62074(19) 0.0500(10) Uani 1 1 d . . .
H39 H 0.7885 -0.1729 0.6008 0.060 Uiso 1 1 calc R . .
C28 C 0.8004(2) -0.1229(3) 0.68078(18) 0.0513(10) Uani 1 1 d . . .
C29 C 0.7880(3) -0.2112(4) 0.7013(2) 0.0611(12) Uani 1 1 d . . .
H55 H 0.7807 -0.2650 0.6778 0.073 Uiso 1 1 calc R . .
C30 C 0.7859(3) -0.2226(4) 0.7562(2) 0.0703(15) Uani 1 1 d . . .
H51 H 0.7761 -0.2825 0.7692 0.084 Uiso 1 1 calc R . .
C31 C 0.7984(3) -0.1446(4) 0.7897(2) 0.0589(12) Uani 1 1 d . . .
H70 H 0.7957 -0.1501 0.8261 0.071 Uiso 1 1 calc R . .
C32 C 0.8154(3) -0.0560(3) 0.77141(19) 0.0555(11) Uani 1 1 d . . .
H34 H 0.8264 -0.0046 0.7968 0.067 Uiso 1 1 calc R . .
C33 C 0.8166(2) -0.0403(3) 0.71680(18) 0.0510(10) Uani 1 1 d . . .
C34 C 0.6352(3) -0.2451(3) 0.4381(2) 0.0621(12) Uani 1 1 d . . .
H54A H 0.6820 -0.2771 0.4557 0.093 Uiso 1 1 calc R . .
H54B H 0.6380 -0.2077 0.4065 0.093 Uiso 1 1 calc R . .
H54C H 0.5962 -0.2924 0.4251 0.093 Uiso 1 1 calc R . .
C35 C 0.6204(2) -0.2217(3) 0.52997(17) 0.0461(10) Uani 1 1 d . . .
C36 C 0.61299(18) -0.1511(2) 0.56880(15) 0.0326(7) Uani 1 1 d . . .
C37 C 0.6108(2) -0.1864(3) 0.62004(16) 0.0422(9) Uani 1 1 d . . .
C38 C 0.6179(3) -0.2829(3) 0.6334(2) 0.0570(12) Uani 1 1 d . . .
H46 H 0.6151 -0.3044 0.6679 0.068 Uiso 1 1 calc R . .
C39 C 0.6293(3) -0.3477(3) 0.5949(2) 0.0601(13) Uani 1 1 d . . .
H57 H 0.6365 -0.4127 0.6045 0.072 Uiso 1 1 calc R . .
C40 C 0.6300(3) -0.3180(3) 0.5430(2) 0.0587(12) Uani 1 1 d . . .
H35 H 0.6368 -0.3622 0.5171 0.070 Uiso 1 1 calc R . .
C41 C 0.6074(2) -0.1183(3) 0.66509(15) 0.0408(9) Uani 1 1 d . . .
H17 H 0.6088 -0.1450 0.6995 0.049 Uiso 1 1 calc R . .
C42 C 0.6047(3) 0.0339(3) 0.70851(16) 0.0504(10) Uani 1 1 d . . .
H28A H 0.6549 0.0580 0.7266 0.060 Uiso 1 1 calc R . .
H28B H 0.5901 -0.0031 0.7362 0.060 Uiso 1 1 calc R . .
C43 C 0.5513(3) 0.1183(3) 0.68760(18) 0.0513(10) Uani 1 1 d . . .
H52A H 0.5001 0.0977 0.6805 0.062 Uiso 1 1 calc R . .
H52B H 0.5627 0.1698 0.7155 0.062 Uiso 1 1 calc R . .
C44 C 0.5536(2) 0.2412(3) 0.62040(18) 0.0453(9) Uani 1 1 d . . .
H26 H 0.5414 0.2834 0.6450 0.054 Uiso 1 1 calc R . .
C45 C 0.5612(2) 0.2809(3) 0.57092(17) 0.0443(9) Uani 1 1 d . . .
C46 C 0.5627(3) 0.3827(3) 0.56460(19) 0.0551(11) Uani 1 1 d . . .
H33 H 0.5585 0.4226 0.5934 0.066 Uiso 1 1 calc R . .
C47 C 0.5701(3) 0.4226(3) 0.5171(2) 0.0609(12) Uani 1 1 d . . .
H43 H 0.5710 0.4896 0.5143 0.073 Uiso 1 1 calc R . .
C48 C 0.5765(3) 0.3667(3) 0.47216(19) 0.0530(11) Uani 1 1 d . . .
H44 H 0.5821 0.3958 0.4402 0.064 Uiso 1 1 calc R . .
C49 C 0.5743(2) 0.2676(3) 0.47641(17) 0.0446(9) Uani 1 1 d . . .
C50 C 0.5666(2) 0.2220(3) 0.52587(15) 0.0387(8) Uani 1 1 d . . .
C51 C 0.5831(3) 0.2449(4) 0.3841(2) 0.0617(13) Uani 1 1 d . . .
H53A H 0.5457 0.2941 0.3708 0.092 Uiso 1 1 calc R . .
H53B H 0.5748 0.1948 0.3561 0.092 Uiso 1 1 calc R . .
H53C H 0.6316 0.2726 0.3907 0.092 Uiso 1 1 calc R . .
C52 C 0.7838(3) 0.4801(3) 0.5532(2) 0.0558(11) Uani 1 1 d . . .
H61 H 0.7717 0.5376 0.5330 0.067 Uiso 1 1 calc R . .
Cl1 Cl 0.15986(8) 0.96353(10) 0.85747(6) 0.0680(3) Uani 1 1 d . A 1
Cr1 Cr 0.80535(3) 0.09564(5) 0.62485(3) 0.03856(17) Uani 1 1 d . . .
Mn1 Mn 0.59212(3) 0.04923(4) 0.59141(2) 0.03424(15) Uani 1 1 d . . .
Mn2 Mn 0.99064(4) 0.06722(5) 0.58949(3) 0.05024(19) Uani 1 1 d . . .
N1 N 1.0318(2) 0.1984(3) 0.61622(15) 0.0524(9) Uani 1 1 d . . .
N2 N 1.0625(2) 0.0234(3) 0.66166(16) 0.0538(9) Uani 1 1 d . . .
N3 N 0.7710(2) 0.1316(3) 0.54179(15) 0.0509(9) Uani 1 1 d . . .
N4 N 0.78958(18) -0.0385(2) 0.59360(14) 0.0414(8) Uani 1 1 d . . .
N5 N 0.56192(18) 0.1517(2) 0.63476(13) 0.0399(7) Uani 1 1 d . . .
N6 N 0.60299(19) -0.0278(2) 0.66077(12) 0.0403(7) Uani 1 1 d . . .
O1 O 0.90084(19) -0.2173(2) 0.51952(14) 0.0579(8) Uani 1 1 d . . .
O2 O 0.96824(17) -0.0611(2) 0.56686(13) 0.0516(7) Uani 1 1 d . . .
O3 O 0.93419(18) 0.1160(2) 0.51852(12) 0.0530(7) Uani 1 1 d . . .
O4 O 0.84623(18) 0.1472(2) 0.41526(13) 0.0583(8) Uani 1 1 d . . .
O5 O 1.09237(17) 0.0518(2) 0.55322(14) 0.0584(8) Uani 1 1 d . . .
H68A H 1.0898 -0.0074 0.5426 0.070 Uiso 1 1 d R . .
H68B H 1.1380 0.0680 0.5696 0.070 Uiso 1 1 d R . .
O6 O 0.91081(15) 0.0845(2) 0.62896(11) 0.0475(7) Uani 1 1 d . . .
H69 H 0.9320 0.0563 0.6623 0.057 Uiso 1 1 d R . .
O7 O 0.83323(17) 0.0453(2) 0.70204(11) 0.0495(7) Uani 1 1 d . . .
O8 O 0.81979(18) 0.2315(2) 0.64629(12) 0.0525(7) Uani 1 1 d . . .
O9 O 0.61920(18) -0.1825(2) 0.47816(12) 0.0502(7) Uani 1 1 d . . .
O10 O 0.57886(17) 0.2046(2) 0.43592(12) 0.0514(7) Uani 1 1 d . . .
O11 O 0.56512(16) 0.12574(19) 0.52597(10) 0.0438(6) Uani 1 1 d . . .
O12 O 0.60784(17) -0.05974(18) 0.55230(11) 0.0420(6) Uani 1 1 d . . .
O14 O 0.4559(6) 0.9281(7) 0.7471(5) 0.248(5) Uani 1 1 d . . .
H71A H 0.4436 0.9453 0.7749 0.297 Uiso 1 1 d R . .
H71B H 0.4854 0.8830 0.7620 0.297 Uiso 1 1 d R . .
O15 O 0.2472(8) 0.1071(8) 0.6126(4) 0.284(6) Uani 1 1 d . . .
H72A H 0.2465 0.0665 0.6357 0.341 Uiso 1 1 d R . .
H72B H 0.2303 0.1618 0.6195 0.341 Uiso 1 1 d R . .
O16 O 0.9488(5) 0.2718(7) 0.7396(4) 0.210(4) Uani 1 1 d . . .
H73A H 0.9089 0.2655 0.7116 0.251 Uiso 1 1 d R . .
H73B H 0.9543 0.2210 0.7596 0.251 Uiso 1 1 d R . .
O18 O 0.46165(16) 0.00371(19) 0.56572(11) 0.0462(7) Uani 1 1 d . . .
H75A H 0.4387 0.0446 0.5403 0.055 Uiso 1 1 d R . .
H75B H 0.4525 -0.0546 0.5539 0.055 Uiso 1 1 d R . .
O19 O 0.70043(15) 0.10320(19) 0.62314(11) 0.0433(6) Uani 1 1 d . . .
H76 H 0.7075 0.1472 0.6509 0.052 Uiso 1 1 d R . .
O20 O 0.1982(2) 0.9491(3) 0.91519(14) 0.0718(11) Uani 1 1 d . . .
O21 O 0.1727(2) 1.0546(2) 0.83881(15) 0.0644(9) Uani 1 1 d . . .
O22 O 0.0826(2) 0.9381(3) 0.84162(16) 0.0752(11) Uani 1 1 d . . .
O23 O 0.1934(2) 0.8884(3) 0.82937(16) 0.0778(11) Uani 1 1 d . . .
O25 O 0.3228(8) 0.0536(10) 0.7879(6) 0.305(7) Uani 1 1 d . . .
H25A H 0.3419 0.0999 0.7745 0.366 Uiso 1 1 d R . .
H25B H 0.2724 0.0677 0.7753 0.366 Uiso 1 1 d R . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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
_geom_angle_publ_flag
O1 C1 H62A 109.5 . . ?
O1 C1 H62B 109.5 . . ?
H62A C1 H62B 109.5 . . ?
O1 C1 H62C 109.5 . . ?
H62A C1 H62C 109.5 . . ?
H62B C1 H62C 109.5 . . ?
O1 C2 C3 122.9(5) . . ?
O1 C2 C7 114.8(4) . . ?
C3 C2 C7 122.3(5) . . ?
C4 C3 C2 118.3(5) . . ?
C4 C3 H50 120.8 . . ?
C2 C3 H50 120.8 . . ?
C3 C4 C5 122.3(5) . . ?
C3 C4 H67 118.9 . . ?
C5 C4 H67 118.9 . . ?
C4 C5 C6 119.2(5) . . ?
C4 C5 H66 120.4 . . ?
C6 C5 H66 120.4 . . ?
C7 C6 C5 122.1(5) . . ?
C7 C6 C8 120.2(4) . . ?
C5 C6 C8 117.6(4) . . ?
O2 C7 C6 126.9(4) . . ?
O2 C7 C2 117.2(4) . . ?
C6 C7 C2 115.6(4) . . ?
N2 C8 C6 123.1(4) . . ?
N2 C8 H58 118.4 . . ?
C6 C8 H58 118.4 . . ?
C10 C9 N2 106.2(4) . . ?
C10 C9 H65A 110.5 . . ?
N2 C9 H65A 110.5 . . ?
C10 C9 H65B 110.5 . . ?
N2 C9 H65B 110.5 . . ?
H65A C9 H65B 108.7 . . ?
C9 C10 N1 114.4(4) . . ?
C9 C10 H64A 108.7 . . ?
N1 C10 H64A 108.7 . . ?
C9 C10 H64B 108.7 . . ?
N1 C10 H64B 108.7 . . ?
H64A C10 H64B 107.6 . . ?
N1 C11 C12 129.2(4) . . ?
N1 C11 H42 115.4 . . ?
C12 C11 H42 115.4 . . ?
C11 C12 C13 119.2(5) . . ?
C11 C12 C17 119.9(5) . . ?
C13 C12 C17 120.9(5) . . ?
C14 C13 C12 122.8(5) . . ?
C14 C13 H60 118.6 . . ?
C12 C13 H60 118.6 . . ?
C13 C14 C15 118.8(5) . . ?
C13 C14 H63 120.6 . . ?
C15 C14 H63 120.6 . . ?
C16 C15 C14 120.4(5) . . ?
C16 C15 H56 119.8 . . ?
C14 C15 H56 119.8 . . ?
C15 C16 O4 123.6(4) . . ?
C15 C16 C17 122.3(4) . . ?
O4 C16 C17 114.1(4) . . ?
O3 C17 C12 127.3(4) . . ?
O3 C17 C16 117.9(4) . . ?
C12 C17 C16 114.8(4) . . ?
O4 C18 H69A 109.5 . . ?
O4 C18 H69B 109.5 . . ?
H69A C18 H69B 109.5 . . ?
O4 C18 H69C 109.5 . . ?
H69A C18 H69C 109.5 . . ?
H69B C18 H69C 109.5 . . ?
C20 C19 C23 120.4(5) . . ?
C20 C19 H71 119.8 . . ?
C23 C19 H71 119.8 . . ?
C19 C20 C52 121.4(5) . . ?
C19 C20 H72 119.3 . . ?
C52 C20 H72 119.3 . . ?
C22 C21 C52 122.7(5) . . ?
C22 C21 H59 118.6 . . ?
C52 C21 H59 118.6 . . ?
C23 C22 C21 113.8(4) . . ?
C23 C22 C24 127.5(4) . . ?
C21 C22 C24 118.7(4) . . ?
O8 C23 C22 122.9(4) . . ?
O8 C23 C19 115.2(4) . . ?
C22 C23 C19 121.8(4) . . ?
N3 C24 C22 123.2(4) . . ?
N3 C24 H14 118.4 . . ?
C22 C24 H14 118.4 . . ?
N3 C25 C26 109.2(4) . . ?
N3 C25 H24A 109.8 . . ?
C26 C25 H24A 109.8 . . ?
N3 C25 H24B 109.8 . . ?
C26 C25 H24B 109.8 . . ?
H24A C25 H24B 108.3 . . ?
N4 C26 C25 107.1(4) . . ?
N4 C26 H23A 110.3 . . ?
C25 C26 H23A 110.3 . . ?
N4 C26 H23B 110.3 . . ?
C25 C26 H23B 110.3 . . ?
H23A C26 H23B 108.5 . . ?
N4 C27 C28 126.1(4) . . ?
N4 C27 H39 117.0 . . ?
C28 C27 H39 117.0 . . ?
C29 C28 C33 120.3(4) . . ?
C29 C28 C27 118.2(4) . . ?
C33 C28 C27 121.3(4) . . ?
C28 C29 C30 122.1(5) . . ?
C28 C29 H55 118.9 . . ?
C30 C29 H55 118.9 . . ?
C31 C30 C29 117.9(5) . . ?
C31 C30 H51 121.1 . . ?
C29 C30 H51 121.1 . . ?
C30 C31 C32 121.4(5) . . ?
C30 C31 H70 119.3 . . ?
C32 C31 H70 119.3 . . ?
C31 C32 C33 122.9(5) . . ?
C31 C32 H34 118.5 . . ?
C33 C32 H34 118.5 . . ?
O7 C33 C32 120.1(4) . . ?
O7 C33 C28 124.7(4) . . ?
C32 C33 C28 115.2(4) . . ?
O9 C34 H54A 109.5 . . ?
O9 C34 H54B 109.5 . . ?
H54A C34 H54B 109.5 . . ?
O9 C34 H54C 109.5 . . ?
H54A C34 H54C 109.5 . . ?
H54B C34 H54C 109.5 . . ?
C40 C35 O9 124.0(4) . . ?
C40 C35 C36 122.9(4) . . ?
O9 C35 C36 113.1(3) . . ?
O12 C36 C37 127.1(3) . . ?
O12 C36 C35 117.3(3) . . ?
C37 C36 C35 115.5(3) . . ?
C38 C37 C36 122.5(4) . . ?
C38 C37 C41 117.2(4) . . ?
C36 C37 C41 120.0(3) . . ?
C37 C38 C39 119.1(4) . . ?
C37 C38 H46 120.4 . . ?
C39 C38 H46 120.4 . . ?
C40 C39 C38 121.2(4) . . ?
C40 C39 H57 119.4 . . ?
C38 C39 H57 119.4 . . ?
C39 C40 C35 118.5(4) . . ?
C39 C40 H35 120.7 . . ?
C35 C40 H35 120.7 . . ?
N6 C41 C37 125.8(3) . . ?
N6 C41 H17 117.1 . . ?
C37 C41 H17 117.1 . . ?
N6 C42 C43 109.5(3) . . ?
N6 C42 H28A 109.8 . . ?
C43 C42 H28A 109.8 . . ?
N6 C42 H28B 109.8 . . ?
C43 C42 H28B 109.8 . . ?
H28A C42 H28B 108.2 . . ?
N5 C43 C42 106.2(3) . . ?
N5 C43 H52A 110.5 . . ?
C42 C43 H52A 110.5 . . ?
N5 C43 H52B 110.5 . . ?
C42 C43 H52B 110.5 . . ?
H52A C43 H52B 108.7 . . ?
N5 C44 C45 125.8(4) . . ?
N5 C44 H26 117.1 . . ?
C45 C44 H26 117.1 . . ?
C44 C45 C46 119.9(4) . . ?
C44 C45 C50 122.0(3) . . ?
C46 C45 C50 118.1(4) . . ?
C47 C46 C45 120.8(4) . . ?
C47 C46 H33 119.6 . . ?
C45 C46 H33 119.6 . . ?
C46 C47 C48 122.5(4) . . ?
C46 C47 H43 118.8 . . ?
C48 C47 H43 118.8 . . ?
C49 C48 C47 118.4(4) . . ?
C49 C48 H44 120.8 . . ?
C47 C48 H44 120.8 . . ?
O10 C49 C48 124.7(4) . . ?
O10 C49 C50 114.1(3) . . ?
C48 C49 C50 121.2(4) . . ?
O11 C50 C45 124.4(3) . . ?
O11 C50 C49 116.6(3) . . ?
C45 C50 C49 119.0(3) . . ?
O10 C51 H53A 109.5 . . ?
O10 C51 H53B 109.5 . . ?
H53A C51 H53B 109.5 . . ?
O10 C51 H53C 109.5 . . ?
H53A C51 H53C 109.5 . . ?
H53B C51 H53C 109.5 . . ?
C20 C52 C21 119.4(4) . . ?
C20 C52 H61 120.3 . . ?
C21 C52 H61 120.3 . . ?
O21 Cl1 O20 112.6(2) . . ?
O21 Cl1 O22 113.9(2) . . ?
O20 Cl1 O22 112.9(2) . . ?
O21 Cl1 O23 108.8(2) . . ?
O20 Cl1 O23 103.1(2) . . ?
O22 Cl1 O23 104.5(3) . . ?
O8 Cr1 O7 95.97(13) . . ?
O8 Cr1 O6 90.70(13) . . ?
O7 Cr1 O6 88.76(12) . . ?
O8 Cr1 O19 90.27(13) . . ?
O7 Cr1 O19 89.18(12) . . ?
O6 Cr1 O19 177.80(13) . . ?
O8 Cr1 N4 173.20(13) . . ?
O7 Cr1 N4 90.71(14) . . ?
O6 Cr1 N4 88.13(13) . . ?
O19 Cr1 N4 91.14(12) . . ?
O8 Cr1 N3 90.80(14) . . ?
O7 Cr1 N3 172.98(14) . . ?
O6 Cr1 N3 93.05(14) . . ?
O19 Cr1 N3 88.91(14) . . ?
N4 Cr1 N3 82.58(14) . . ?
O12 Mn1 O11 92.51(11) . . ?
O12 Mn1 N5 170.46(13) . . ?
O11 Mn1 N5 91.60(13) . . ?
O12 Mn1 N6 91.99(12) . . ?
O11 Mn1 N6 170.15(14) . . ?
N5 Mn1 N6 82.68(14) . . ?
O12 Mn1 O19 100.51(12) . . ?
O11 Mn1 O19 94.81(12) . . ?
N5 Mn1 O19 87.72(12) . . ?
N6 Mn1 O19 92.97(12) . . ?
O12 Mn1 O18 88.57(11) . . ?
O11 Mn1 O18 87.23(11) . . ?
N5 Mn1 O18 83.03(12) . . ?
N6 Mn1 O18 84.13(12) . . ?
O19 Mn1 O18 170.59(10) . . ?
O2 Mn2 O3 93.04(14) . . ?
O2 Mn2 N2 90.30(15) . . ?
O3 Mn2 N2 171.74(15) . . ?
O2 Mn2 N1 170.78(16) . . ?
O3 Mn2 N1 91.65(15) . . ?
N2 Mn2 N1 84.04(17) . . ?
O2 Mn2 O6 97.17(13) . . ?
O3 Mn2 O6 97.44(13) . . ?
N2 Mn2 O6 89.63(14) . . ?
N1 Mn2 O6 90.09(13) . . ?
O2 Mn2 O5 86.11(12) . . ?
O3 Mn2 O5 87.41(13) . . ?
N2 Mn2 O5 85.29(14) . . ?
N1 Mn2 O5 86.17(13) . . ?
O6 Mn2 O5 173.97(11) . . ?
C11 N1 C10 126.9(4) . . ?
C11 N1 Mn2 124.5(3) . . ?
C10 N1 Mn2 108.1(3) . . ?
C8 N2 C9 116.9(4) . . ?
C8 N2 Mn2 127.4(3) . . ?
C9 N2 Mn2 115.6(3) . . ?
C24 N3 C25 119.5(4) . . ?
C24 N3 Cr1 128.4(3) . . ?
C25 N3 Cr1 111.4(3) . . ?
C27 N4 C26 120.3(4) . . ?
C27 N4 Cr1 127.0(3) . . ?
C26 N4 Cr1 112.2(3) . . ?
C44 N5 C43 120.8(3) . . ?
C44 N5 Mn1 124.7(3) . . ?
C43 N5 Mn1 114.5(2) . . ?
C41 N6 C42 122.0(3) . . ?
C41 N6 Mn1 126.4(3) . . ?
C42 N6 Mn1 111.6(3) . . ?
C2 O1 C1 120.4(4) . . ?
C7 O2 Mn2 126.1(3) . . ?
C17 O3 Mn2 127.3(3) . . ?
C16 O4 C18 122.0(4) . . ?
Mn2 O5 H68A 103.3 . . ?
Mn2 O5 H68B 127.5 . . ?
H68A O5 H68B 110.1 . . ?
Cr1 O6 Mn2 150.31(15) . . ?
Cr1 O6 H69 102.8 . . ?
Mn2 O6 H69 102.7 . . ?
C33 O7 Cr1 126.0(3) . . ?
C23 O8 Cr1 127.2(3) . . ?
C35 O9 C34 118.2(3) . . ?
C49 O10 C51 117.3(3) . . ?
C50 O11 Mn1 124.5(2) . . ?
C36 O12 Mn1 127.9(2) . . ?
H71A O14 H71B 99.7 . . ?
H72A O15 H72B 111.9 . . ?
H73A O16 H73B 107.7 . . ?
Mn1 O18 H75A 104.6 . . ?
Mn1 O18 H75B 114.1 . . ?
H75A O18 H75B 111.7 . . ?
Cr1 O19 Mn1 148.03(14) . . ?
Cr1 O19 H76 97.2 . . ?
Mn1 O19 H76 114.5 . . ?
H25A O25 H25B 103.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.432(5) . ?
C1 H62A 0.9600 . ?
C1 H62B 0.9600 . ?
C1 H62C 0.9600 . ?
C2 O1 1.377(6) . ?
C2 C3 1.393(6) . ?
C2 C7 1.403(7) . ?
C3 C4 1.346(7) . ?
C3 H50 0.9300 . ?
C4 C5 1.352(8) . ?
C4 H67 0.9300 . ?
C5 C6 1.387(7) . ?
C5 H66 0.9300 . ?
C6 C7 1.383(6) . ?
C6 C8 1.472(7) . ?
C7 O2 1.333(5) . ?
C8 N2 1.300(6) . ?
C8 H58 0.9300 . ?
C9 C10 1.463(7) . ?
C9 N2 1.467(6) . ?
C9 H65A 0.9700 . ?
C9 H65B 0.9700 . ?
C10 N1 1.519(6) . ?
C10 H64A 0.9700 . ?
C10 H64B 0.9700 . ?
C11 N1 1.261(6) . ?
C11 C12 1.382(7) . ?
C11 H42 0.9300 . ?
C12 C13 1.394(7) . ?
C12 C17 1.405(6) . ?
C13 C14 1.309(7) . ?
C13 H60 0.9300 . ?
C14 C15 1.402(8) . ?
C14 H63 0.9300 . ?
C15 C16 1.356(6) . ?
C15 H56 0.9300 . ?
C16 O4 1.398(6) . ?
C16 C17 1.421(6) . ?
C17 O3 1.317(5) . ?
C18 O4 1.430(5) . ?
C18 H69A 0.9600 . ?
C18 H69B 0.9600 . ?
C18 H69C 0.9600 . ?
C19 C20 1.294(7) . ?
C19 C23 1.442(6) . ?
C19 H71 0.9300 . ?
C20 C52 1.320(7) . ?
C20 H72 0.9300 . ?
C21 C22 1.397(6) . ?
C21 C52 1.414(7) . ?
C21 H59 0.9300 . ?
C22 C23 1.375(6) . ?
C22 C24 1.432(6) . ?
C23 O8 1.374(5) . ?
C24 N3 1.263(5) . ?
C24 H14 0.9300 . ?
C25 N3 1.472(5) . ?
C25 C26 1.503(7) . ?
C25 H24A 0.9700 . ?
C25 H24B 0.9700 . ?
C26 N4 1.483(5) . ?
C26 H23A 0.9700 . ?
C26 H23B 0.9700 . ?
C27 N4 1.254(5) . ?
C27 C28 1.461(6) . ?
C27 H39 0.9300 . ?
C28 C29 1.374(7) . ?
C28 C33 1.425(7) . ?
C29 C30 1.395(7) . ?
C29 H55 0.9300 . ?
C30 C31 1.339(8) . ?
C30 H51 0.9300 . ?
C31 C32 1.382(7) . ?
C31 H70 0.9300 . ?
C32 C33 1.390(6) . ?
C32 H34 0.9300 . ?
C33 O7 1.310(5) . ?
C34 O9 1.429(5) . ?
C34 H54A 0.9600 . ?
C34 H54B 0.9600 . ?
C34 H54C 0.9600 . ?
C35 C40 1.369(6) . ?
C35 O9 1.397(5) . ?
C35 C36 1.416(6) . ?
C36 O12 1.324(4) . ?
C36 C37 1.384(6) . ?
C37 C38 1.372(6) . ?
C37 C41 1.485(6) . ?
C38 C39 1.383(7) . ?
C38 H46 0.9300 . ?
C39 C40 1.363(7) . ?
C39 H57 0.9300 . ?
C40 H35 0.9300 . ?
C41 N6 1.258(5) . ?
C41 H17 0.9300 . ?
C42 N6 1.459(5) . ?
C42 C43 1.521(6) . ?
C42 H28A 0.9700 . ?
C42 H28B 0.9700 . ?
C43 N5 1.474(5) . ?
C43 H52A 0.9700 . ?
C43 H52B 0.9700 . ?
C44 N5 1.285(5) . ?
C44 C45 1.403(6) . ?
C44 H26 0.9300 . ?
C45 C46 1.420(5) . ?
C45 C50 1.420(6) . ?
C46 C47 1.358(7) . ?
C46 H33 0.9300 . ?
C47 C48 1.401(7) . ?
C47 H43 0.9300 . ?
C48 C49 1.377(6) . ?
C48 H44 0.9300 . ?
C49 O10 1.360(5) . ?
C49 C50 1.437(6) . ?
C50 O11 1.333(4) . ?
C51 O10 1.437(5) . ?
C51 H53A 0.9600 . ?
C51 H53B 0.9600 . ?
C51 H53C 0.9600 . ?
C52 H61 0.9300 . ?
Cl1 O21 1.393(3) . ?
Cl1 O20 1.401(3) . ?
Cl1 O22 1.430(4) . ?
Cl1 O23 1.506(4) . ?
Cr1 O8 1.950(3) . ?
Cr1 O7 1.955(3) . ?
Cr1 O6 1.974(3) . ?
Cr1 O19 1.978(3) . ?
Cr1 N4 1.998(3) . ?
Cr1 N3 2.024(4) . ?
Mn1 O12 1.873(3) . ?
Mn1 O11 1.874(3) . ?
Mn1 N5 1.979(3) . ?
Mn1 N6 1.988(3) . ?
Mn1 O19 2.082(3) . ?
Mn1 O18 2.426(3) . ?
Mn2 O2 1.870(3) . ?
Mn2 O3 1.873(3) . ?
Mn2 N2 1.968(4) . ?
Mn2 N1 2.002(4) . ?
Mn2 O6 2.073(3) . ?
Mn2 O5 2.393(3) . ?
O5 H68A 0.8571 . ?
O5 H68B 0.8568 . ?
O6 H69 0.8895 . ?
O14 H71A 0.8368 . ?
O14 H71B 0.8399 . ?
O15 H72A 0.8087 . ?
O15 H72B 0.8614 . ?
O16 H73A 0.8501 . ?
O16 H73B 0.8499 . ?
O18 H75A 0.8563 . ?
O18 H75B 0.8569 . ?
O19 H76 0.9002 . ?
O25 H25A 0.8561 . ?
O25 H25B 0.9238 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C2 C3 C4 178.6(4) . . . . ?
C7 C2 C3 C4 -4.0(7) . . . . ?
C2 C3 C4 C5 1.4(8) . . . . ?
C3 C4 C5 C6 -0.6(8) . . . . ?
C4 C5 C6 C7 2.3(8) . . . . ?
C4 C5 C6 C8 -173.3(5) . . . . ?
C5 C6 C7 O2 -178.5(4) . . . . ?
C8 C6 C7 O2 -3.0(7) . . . . ?
C5 C6 C7 C2 -4.7(7) . . . . ?
C8 C6 C7 C2 170.8(4) . . . . ?
O1 C2 C7 O2 -2.4(5) . . . . ?
C3 C2 C7 O2 -180.0(4) . . . . ?
O1 C2 C7 C6 -176.9(4) . . . . ?
C3 C2 C7 C6 5.5(6) . . . . ?
C7 C6 C8 N2 9.7(7) . . . . ?
C5 C6 C8 N2 -174.7(5) . . . . ?
N2 C9 C10 N1 -37.7(6) . . . . ?
N1 C11 C12 C13 -177.1(5) . . . . ?
N1 C11 C12 C17 1.9(8) . . . . ?
C11 C12 C13 C14 -179.1(5) . . . . ?
C17 C12 C13 C14 1.9(7) . . . . ?
C12 C13 C14 C15 -2.2(8) . . . . ?
C13 C14 C15 C16 1.7(7) . . . . ?
C14 C15 C16 O4 179.7(4) . . . . ?
C14 C15 C16 C17 -0.9(7) . . . . ?
C11 C12 C17 O3 1.4(7) . . . . ?
C13 C12 C17 O3 -179.6(4) . . . . ?
C11 C12 C17 C16 -180.0(4) . . . . ?
C13 C12 C17 C16 -1.0(6) . . . . ?
C15 C16 C17 O3 179.3(4) . . . . ?
O4 C16 C17 O3 -1.2(5) . . . . ?
C15 C16 C17 C12 0.6(6) . . . . ?
O4 C16 C17 C12 -180.0(4) . . . . ?
C23 C19 C20 C52 6.9(8) . . . . ?
C52 C21 C22 C23 -3.0(6) . . . . ?
C52 C21 C22 C24 177.6(4) . . . . ?
C21 C22 C23 O8 179.5(4) . . . . ?
C24 C22 C23 O8 -1.1(7) . . . . ?
C21 C22 C23 C19 1.0(6) . . . . ?
C24 C22 C23 C19 -179.7(4) . . . . ?
C20 C19 C23 O8 178.5(4) . . . . ?
C20 C19 C23 C22 -2.9(7) . . . . ?
C23 C22 C24 N3 0.5(7) . . . . ?
C21 C22 C24 N3 179.8(4) . . . . ?
N3 C25 C26 N4 45.2(5) . . . . ?
N4 C27 C28 C29 167.8(4) . . . . ?
N4 C27 C28 C33 -8.6(7) . . . . ?
C33 C28 C29 C30 4.2(7) . . . . ?
C27 C28 C29 C30 -172.3(4) . . . . ?
C28 C29 C30 C31 -1.7(8) . . . . ?
C29 C30 C31 C32 -2.1(8) . . . . ?
C30 C31 C32 C33 3.6(8) . . . . ?
C31 C32 C33 O7 -179.8(4) . . . . ?
C31 C32 C33 C28 -1.1(7) . . . . ?
C29 C28 C33 O7 176.0(4) . . . . ?
C27 C28 C33 O7 -7.7(7) . . . . ?
C29 C28 C33 C32 -2.6(6) . . . . ?
C27 C28 C33 C32 173.7(4) . . . . ?
C40 C35 C36 O12 176.6(4) . . . . ?
O9 C35 C36 O12 -1.5(5) . . . . ?
C40 C35 C36 C37 -4.4(6) . . . . ?
O9 C35 C36 C37 177.5(3) . . . . ?
O12 C36 C37 C38 -178.9(4) . . . . ?
C35 C36 C37 C38 2.2(6) . . . . ?
O12 C36 C37 C41 -4.5(6) . . . . ?
C35 C36 C37 C41 176.6(3) . . . . ?
C36 C37 C38 C39 1.4(7) . . . . ?
C41 C37 C38 C39 -173.1(4) . . . . ?
C37 C38 C39 C40 -3.1(7) . . . . ?
C38 C39 C40 C35 1.1(7) . . . . ?
O9 C35 C40 C39 -179.2(4) . . . . ?
C36 C35 C40 C39 2.8(7) . . . . ?
C38 C37 C41 N6 178.0(4) . . . . ?
C36 C37 C41 N6 3.4(6) . . . . ?
N6 C42 C43 N5 -42.3(5) . . . . ?
N5 C44 C45 C46 -169.6(4) . . . . ?
N5 C44 C45 C50 11.2(7) . . . . ?
C44 C45 C46 C47 179.9(4) . . . . ?
C50 C45 C46 C47 -0.9(7) . . . . ?
C45 C46 C47 C48 0.1(8) . . . . ?
C46 C47 C48 C49 0.7(7) . . . . ?
C47 C48 C49 O10 179.2(4) . . . . ?
C47 C48 C49 C50 -0.8(6) . . . . ?
C44 C45 C50 O11 0.0(6) . . . . ?
C46 C45 C50 O11 -179.3(4) . . . . ?
C44 C45 C50 C49 180.0(4) . . . . ?
C46 C45 C50 C49 0.7(6) . . . . ?
O10 C49 C50 O11 0.1(5) . . . . ?
C48 C49 C50 O11 -179.9(4) . . . . ?
O10 C49 C50 C45 -179.9(3) . . . . ?
C48 C49 C50 C45 0.1(6) . . . . ?
C19 C20 C52 C21 -8.8(8) . . . . ?
C22 C21 C52 C20 6.9(7) . . . . ?
C12 C11 N1 C10 -176.7(5) . . . . ?
C12 C11 N1 Mn2 -5.9(7) . . . . ?
C9 C10 N1 C11 -158.4(5) . . . . ?
C9 C10 N1 Mn2 29.6(5) . . . . ?
O2 Mn2 N1 C11 125.9(9) . . . . ?
O3 Mn2 N1 C11 5.4(4) . . . . ?
N2 Mn2 N1 C11 178.3(4) . . . . ?
O6 Mn2 N1 C11 -92.1(4) . . . . ?
O5 Mn2 N1 C11 92.7(4) . . . . ?
O2 Mn2 N1 C10 -61.8(10) . . . . ?
O3 Mn2 N1 C10 177.6(3) . . . . ?
N2 Mn2 N1 C10 -9.4(3) . . . . ?
O6 Mn2 N1 C10 80.2(3) . . . . ?
O5 Mn2 N1 C10 -95.1(3) . . . . ?
C6 C8 N2 C9 -175.1(5) . . . . ?
C6 C8 N2 Mn2 6.1(7) . . . . ?
C10 C9 N2 C8 -149.6(4) . . . . ?
C10 C9 N2 Mn2 29.3(5) . . . . ?
O2 Mn2 N2 C8 -19.9(4) . . . . ?
O3 Mn2 N2 C8 -133.8(10) . . . . ?
N1 Mn2 N2 C8 167.4(4) . . . . ?
O6 Mn2 N2 C8 77.3(4) . . . . ?
O5 Mn2 N2 C8 -106.0(4) . . . . ?
O2 Mn2 N2 C9 161.4(4) . . . . ?
O3 Mn2 N2 C9 47.5(12) . . . . ?
N1 Mn2 N2 C9 -11.3(4) . . . . ?
O6 Mn2 N2 C9 -101.5(4) . . . . ?
O5 Mn2 N2 C9 75.3(4) . . . . ?
C22 C24 N3 C25 170.3(4) . . . . ?
C22 C24 N3 Cr1 0.9(6) . . . . ?
C26 C25 N3 C24 155.4(4) . . . . ?
C26 C25 N3 Cr1 -33.5(5) . . . . ?
O8 Cr1 N3 C24 -1.1(4) . . . . ?
O7 Cr1 N3 C24 163.3(10) . . . . ?
O6 Cr1 N3 C24 -91.9(4) . . . . ?
O19 Cr1 N3 C24 89.1(4) . . . . ?
N4 Cr1 N3 C24 -179.6(4) . . . . ?
O8 Cr1 N3 C25 -171.2(3) . . . . ?
O7 Cr1 N3 C25 -6.8(14) . . . . ?
O6 Cr1 N3 C25 98.0(3) . . . . ?
O19 Cr1 N3 C25 -81.0(3) . . . . ?
N4 Cr1 N3 C25 10.3(3) . . . . ?
C28 C27 N4 C26 178.2(4) . . . . ?
C28 C27 N4 Cr1 6.2(6) . . . . ?
C25 C26 N4 C27 149.7(4) . . . . ?
C25 C26 N4 Cr1 -37.2(4) . . . . ?
O8 Cr1 N4 C27 174.9(10) . . . . ?
O7 Cr1 N4 C27 6.0(4) . . . . ?
O6 Cr1 N4 C27 94.7(4) . . . . ?
O19 Cr1 N4 C27 -83.2(4) . . . . ?
N3 Cr1 N4 C27 -172.0(4) . . . . ?
O8 Cr1 N4 C26 2.3(13) . . . . ?
O7 Cr1 N4 C26 -166.6(3) . . . . ?
O6 Cr1 N4 C26 -77.8(3) . . . . ?
O19 Cr1 N4 C26 104.2(3) . . . . ?
N3 Cr1 N4 C26 15.5(3) . . . . ?
C45 C44 N5 C43 -179.1(4) . . . . ?
C45 C44 N5 Mn1 2.9(6) . . . . ?
C42 C43 N5 C44 -148.1(4) . . . . ?
C42 C43 N5 Mn1 30.1(4) . . . . ?
O12 Mn1 N5 C44 -134.4(7) . . . . ?
O11 Mn1 N5 C44 -18.9(3) . . . . ?
N6 Mn1 N5 C44 169.2(4) . . . . ?
O19 Mn1 N5 C44 75.9(3) . . . . ?
O18 Mn1 N5 C44 -105.9(3) . . . . ?
O12 Mn1 N5 C43 47.4(9) . . . . ?
O11 Mn1 N5 C43 162.9(3) . . . . ?
N6 Mn1 N5 C43 -9.0(3) . . . . ?
O19 Mn1 N5 C43 -102.3(3) . . . . ?
O18 Mn1 N5 C43 75.9(3) . . . . ?
C37 C41 N6 C42 -176.1(4) . . . . ?
C37 C41 N6 Mn1 4.5(6) . . . . ?
C43 C42 N6 C41 -142.6(4) . . . . ?
C43 C42 N6 Mn1 36.8(4) . . . . ?
O12 Mn1 N6 C41 -8.5(4) . . . . ?
O11 Mn1 N6 C41 108.7(7) . . . . ?
N5 Mn1 N6 C41 163.5(4) . . . . ?
O19 Mn1 N6 C41 -109.1(3) . . . . ?
O18 Mn1 N6 C41 79.8(3) . . . . ?
O12 Mn1 N6 C42 172.1(3) . . . . ?
O11 Mn1 N6 C42 -70.8(8) . . . . ?
N5 Mn1 N6 C42 -15.9(3) . . . . ?
O19 Mn1 N6 C42 71.4(3) . . . . ?
O18 Mn1 N6 C42 -99.6(3) . . . . ?
C3 C2 O1 C1 3.5(6) . . . . ?
C7 C2 O1 C1 -174.0(4) . . . . ?
C6 C7 O2 Mn2 -19.7(6) . . . . ?
C2 C7 O2 Mn2 166.5(3) . . . . ?
O3 Mn2 O2 C7 -161.6(3) . . . . ?
N2 Mn2 O2 C7 26.0(3) . . . . ?
N1 Mn2 O2 C7 78.0(10) . . . . ?
O6 Mn2 O2 C7 -63.7(3) . . . . ?
O5 Mn2 O2 C7 111.2(3) . . . . ?
C12 C17 O3 Mn2 0.1(6) . . . . ?
C16 C17 O3 Mn2 -178.5(3) . . . . ?
O2 Mn2 O3 C17 -174.8(3) . . . . ?
N2 Mn2 O3 C17 -61.1(12) . . . . ?
N1 Mn2 O3 C17 -2.7(3) . . . . ?
O6 Mn2 O3 C17 87.6(3) . . . . ?
O5 Mn2 O3 C17 -88.8(3) . . . . ?
C15 C16 O4 C18 -3.9(6) . . . . ?
C17 C16 O4 C18 176.6(4) . . . . ?
O8 Cr1 O6 Mn2 -110.4(3) . . . . ?
O7 Cr1 O6 Mn2 153.6(4) . . . . ?
O19 Cr1 O6 Mn2 133(3) . . . . ?
N4 Cr1 O6 Mn2 62.9(4) . . . . ?
N3 Cr1 O6 Mn2 -19.6(4) . . . . ?
O2 Mn2 O6 Cr1 -69.0(4) . . . . ?
O3 Mn2 O6 Cr1 25.0(4) . . . . ?
N2 Mn2 O6 Cr1 -159.3(4) . . . . ?
N1 Mn2 O6 Cr1 116.7(4) . . . . ?
O5 Mn2 O6 Cr1 168.3(10) . . . . ?
C32 C33 O7 Cr1 -157.1(3) . . . . ?
C28 C33 O7 Cr1 24.4(6) . . . . ?
O8 Cr1 O7 C33 160.6(3) . . . . ?
O6 Cr1 O7 C33 -108.8(3) . . . . ?
O19 Cr1 O7 C33 70.4(3) . . . . ?
N4 Cr1 O7 C33 -20.7(3) . . . . ?
N3 Cr1 O7 C33 -3.8(14) . . . . ?
C22 C23 O8 Cr1 0.4(6) . . . . ?
C19 C23 O8 Cr1 179.1(3) . . . . ?
O7 Cr1 O8 C23 -177.6(3) . . . . ?
O6 Cr1 O8 C23 93.5(3) . . . . ?
O19 Cr1 O8 C23 -88.4(3) . . . . ?
N4 Cr1 O8 C23 13.5(13) . . . . ?
N3 Cr1 O8 C23 0.5(3) . . . . ?
C40 C35 O9 C34 -5.5(6) . . . . ?
C36 C35 O9 C34 172.6(4) . . . . ?
C48 C49 O10 C51 -2.8(6) . . . . ?
C50 C49 O10 C51 177.2(4) . . . . ?
C45 C50 O11 Mn1 -24.6(5) . . . . ?
C49 C50 O11 Mn1 155.4(3) . . . . ?
O12 Mn1 O11 C50 -159.7(3) . . . . ?
N5 Mn1 O11 C50 28.9(3) . . . . ?
N6 Mn1 O11 C50 83.2(8) . . . . ?
O19 Mn1 O11 C50 -58.9(3) . . . . ?
O18 Mn1 O11 C50 111.9(3) . . . . ?
C37 C36 O12 Mn1 -2.8(5) . . . . ?
C35 C36 O12 Mn1 176.1(3) . . . . ?
O11 Mn1 O12 C36 -163.6(3) . . . . ?
N5 Mn1 O12 C36 -48.2(9) . . . . ?
N6 Mn1 O12 C36 7.7(3) . . . . ?
O19 Mn1 O12 C36 101.1(3) . . . . ?
O18 Mn1 O12 C36 -76.4(3) . . . . ?
O8 Cr1 O19 Mn1 154.7(3) . . . . ?
O7 Cr1 O19 Mn1 -109.3(3) . . . . ?
O6 Cr1 O19 Mn1 -89(3) . . . . ?
N4 Cr1 O19 Mn1 -18.6(3) . . . . ?
N3 Cr1 O19 Mn1 63.9(3) . . . . ?
O12 Mn1 O19 Cr1 7.4(3) . . . . ?
O11 Mn1 O19 Cr1 -86.0(3) . . . . ?
N5 Mn1 O19 Cr1 -177.4(3) . . . . ?
N6 Mn1 O19 Cr1 100.0(3) . . . . ?
O18 Mn1 O19 Cr1 171.8(5) . . . . ?
