#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:10:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179955 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/50/7025069.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_7025069
loop_
_publ_author_name
'Escuer, Albert'
'Cordero, Beatriz'
'Font-Bardia, Mercé'
'Calvet, Teresa'
'Roubeau, Olivier'
'Teat, Simon J.'
'Fedi, Serena'
'Fabrizi de Biani, Fabrizia'
_publ_section_title
;
 Manganese clusters derived from a 2,6-diacetylpyridine dioximato ligand:
 structure and magnetic study
;
_journal_issue                   20
_journal_name_full               'Dalton Transactions'
_journal_page_first              4817
_journal_paper_doi               10.1039/b924977j
_journal_volume                  39
_journal_year                    2010
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety
'C28 H32 Mn3 N9 O8, (C4 H10 O),(C H4 O), (N O3)'
_chemical_formula_sum            'C33 H46 Mn3 N10 O13'
_chemical_formula_weight         955.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-02-28T13:49:06-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                111.129(4)
_cell_angle_beta                 90.096(5)
_cell_angle_gamma                96.750(4)
_cell_formula_units_Z            2
_cell_length_a                   11.9452(7)
_cell_length_b                   13.0013(8)
_cell_length_c                   14.0001(8)
_cell_measurement_reflns_used    1893
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.22
_cell_measurement_theta_min      2.26
_cell_measurement_wavelength     0.71073
_cell_volume                     2011.8(2)
_computing_cell_refinement       'APPEX2 (BRUKER AXS, 2005)'
_computing_data_collection       'APPEX2 (BRUKER AXS, 2005)'
_computing_data_reduction        'APPEX2 (BRUKER AXS, 2005)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Giacovazzo et all, 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'BRUKER APPEX-II CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0557
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            21119
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    1.003
_exptl_absorpt_correction_T_max  0.8829
_exptl_absorpt_correction_T_min  0.7315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             986
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.532
_refine_diff_density_min         -0.84
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         7094
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0944P)²+2.5099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1475
_refine_ls_wR_factor_ref         0.1605
_reflns_number_gt                5335
_reflns_number_total             7094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b924977j.txt
_cod_data_source_block           af01fu2n
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_radiation_monochromador' tag replaced with
'_diffrn_radiation_monochromator'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_database_code               7025069
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.12278(5) -0.02165(5) -0.05922(5) 0.01452(18) Uani 1 1 d . . .
N1 N 0.2979(3) -0.0453(3) -0.1300(3) 0.0176(8) Uani 1 1 d . . .
C2 C 0.3418(3) 0.0204(3) -0.1793(3) 0.0176(9) Uani 1 1 d . . .
C20 C 0.2895(4) 0.1375(5) -0.2865(4) 0.0336(12) Uani 1 1 d . . .
H20A H 0.2445 0.1992 -0.273 0.05 Uiso 1 1 calc R . .
H20B H 0.2733 0.0854 -0.3571 0.05 Uiso 1 1 calc R . .
H20C H 0.3699 0.1665 -0.2768 0.05 Uiso 1 1 calc R . .
C21 C 0.2597(4) 0.0781(4) -0.2132(3) 0.0205(9) Uani 1 1 d . . .
N22 N 0.1619(3) 0.0712(3) -0.1763(3) 0.0159(7) Uani 1 1 d . . .
O23 O 0.0804(2) 0.1179(2) -0.2125(2) 0.0163(6) Uani 1 1 d . . .
C3 C 0.4558(4) 0.0293(4) -0.1977(3) 0.0237(10) Uani 1 1 d . . .
H3 H 0.4862 0.077 -0.2316 0.028 Uiso 1 1 calc R . .
C4 C 0.5251(4) -0.0318(4) -0.1663(4) 0.0253(10) Uani 1 1 d . . .
H4 H 0.6033 -0.027 -0.179 0.03 Uiso 1 1 calc R . .
C5 C 0.4792(4) -0.1003(4) -0.1160(4) 0.0233(10) Uani 1 1 d . . .
H5 H 0.525 -0.1433 -0.094 0.028 Uiso 1 1 calc R . .
C6 C 0.3646(4) -0.1044(3) -0.0988(3) 0.0193(9) Uani 1 1 d . . .
C60 C 0.3633(4) -0.2581(4) -0.0217(4) 0.0248(10) Uani 1 1 d . . .
H60A H 0.371 -0.3209 -0.0853 0.037 Uiso 1 1 calc R . .
H60B H 0.3188 -0.2847 0.0255 0.037 Uiso 1 1 calc R . .
H60C H 0.4382 -0.2241 0.0102 0.037 Uiso 1 1 calc R . .
C61 C 0.3052(3) -0.1743(3) -0.0453(3) 0.0176(9) Uani 1 1 d . . .
N62 N 0.2034(3) -0.1547(3) -0.0238(3) 0.0173(8) Uani 1 1 d . . .
O63 O 0.1428(2) -0.2234(2) 0.0183(2) 0.0182(6) Uani 1 1 d . . .
Mn2 Mn 0.03538(5) -0.16262(5) 0.11408(5) 0.01431(18) Uani 1 1 d . . .
N1B N 0.0700(3) -0.2825(3) 0.1795(3) 0.0173(8) Uani 1 1 d . . .
C2B C 0.0080(3) -0.3826(3) 0.1507(3) 0.0178(9) Uani 1 1 d . . .
C20B C -0.1764(4) -0.4982(4) 0.0509(4) 0.0231(10) Uani 1 1 d . . .
H20D H -0.2188 -0.5064 -0.012 0.035 Uiso 1 1 calc R . .
H20E H -0.2282 -0.4889 0.1067 0.035 Uiso 1 1 calc R . .
H20F H -0.1393 -0.5647 0.0397 0.035 Uiso 1 1 calc R . .
C21B C -0.0888(3) -0.3978(3) 0.0787(3) 0.0166(9) Uani 1 1 d . . .
N22B N -0.0935(3) -0.3163(3) 0.0487(3) 0.0180(8) Uani 1 1 d . . .
O23B O -0.1879(3) -0.3269(2) -0.0125(2) 0.0222(7) Uani 1 1 d D . .
H23B H -0.188(4) -0.265(3) -0.021(4) 0.033 Uiso 1 1 d D . .
C3B C 0.0346(4) -0.4630(4) 0.1876(3) 0.0251(10) Uani 1 1 d . . .
H3B H -0.0109 -0.533 0.1683 0.03 Uiso 1 1 calc R . .
C4B C 0.1285(4) -0.4389(4) 0.2529(4) 0.0271(10) Uani 1 1 d . . .
H4B H 0.1492 -0.4939 0.2771 0.032 Uiso 1 1 calc R . .
C5B C 0.1928(4) -0.3365(4) 0.2836(3) 0.0231(10) Uani 1 1 d . . .
H5B H 0.2574 -0.3201 0.3287 0.028 Uiso 1 1 calc R . .
C6B C 0.1604(4) -0.2574(4) 0.2465(3) 0.0185(9) Uani 1 1 d . . .
C60B C 0.3158(4) -0.1013(4) 0.3536(4) 0.0324(12) Uani 1 1 d . . .
H60D H 0.3444 -0.0247 0.3616 0.049 Uiso 1 1 calc R . .
H60E H 0.3758 -0.1486 0.3297 0.049 Uiso 1 1 calc R . .
H60F H 0.2913 -0.1034 0.4197 0.049 Uiso 1 1 calc R . .
C61B C 0.2181(4) -0.1425(4) 0.2772(3) 0.0206(9) Uani 1 1 d . . .
N62B N 0.1717(3) -0.0852(3) 0.2331(3) 0.0177(8) Uani 1 1 d . . .
O63B O 0.2146(2) 0.0225(2) 0.2517(2) 0.0190(6) Uani 1 1 d . . .
Mn3 Mn 0.09832(5) 0.09364(5) 0.21251(5) 0.01551(18) Uani 1 1 d . . .
N1C N 0.1766(3) 0.2412(3) 0.3292(3) 0.0202(8) Uani 1 1 d . . .
C2C C 0.1474(4) 0.2718(4) 0.4269(4) 0.0275(11) Uani 1 1 d . . .
C20C C 0.0364(4) 0.2112(4) 0.5606(3) 0.0298(11) Uani 1 1 d . . .
H20G H -0.0104 0.1454 0.5638 0.045 Uiso 1 1 calc R . .
H20H H -0.0057 0.2754 0.5853 0.045 Uiso 1 1 calc R . .
H20I H 0.1055 0.2261 0.6036 0.045 Uiso 1 1 calc R . .
C21C C 0.0664(4) 0.1907(4) 0.4518(3) 0.0224(10) Uani 1 1 d . . .
N22C N 0.0298(3) 0.1052(3) 0.3737(3) 0.0193(8) Uani 1 1 d . . .
O23C O -0.0447(3) 0.0281(3) 0.3977(2) 0.0241(7) Uani 1 1 d . . .
H23C H -0.062(4) -0.028(5) 0.336(4) 0.036 Uiso 1 1 d . . .
C3C C 0.1888(5) 0.3737(5) 0.5012(4) 0.0396(13) Uani 1 1 d . . .
H3C H 0.1637 0.3957 0.5692 0.047 Uiso 1 1 calc R . .
C4C C 0.2689(5) 0.4426(5) 0.4715(4) 0.0418(14) Uani 1 1 d . . .
H4C H 0.2989 0.5133 0.5196 0.05 Uiso 1 1 calc R . .
C5C C 0.3044(5) 0.4076(4) 0.3720(4) 0.0380(13) Uani 1 1 d . . .
H5C H 0.3614 0.4525 0.3523 0.046 Uiso 1 1 calc R . .
C6C C 0.2557(4) 0.3063(4) 0.3012(3) 0.0236(10) Uani 1 1 d . . .
C60C C 0.3643(4) 0.3353(4) 0.1521(3) 0.0225(10) Uani 1 1 d . . .
H60G H 0.3371 0.4056 0.1585 0.034 Uiso 1 1 calc R . .
H60H H 0.3763 0.2935 0.0799 0.034 Uiso 1 1 calc R . .
H60I H 0.4357 0.3506 0.1923 0.034 Uiso 1 1 calc R . .
C61C C 0.2787(3) 0.2684(3) 0.1912(3) 0.0190(9) Uani 1 1 d . . .
N62C N 0.2153(3) 0.1784(3) 0.1367(3) 0.0179(8) Uani 1 1 d . . .
O63C O 0.2171(2) 0.1423(2) 0.0329(2) 0.0181(6) Uani 1 1 d . . .
O1 O 0.0237(2) -0.1579(2) -0.1838(2) 0.0196(6) Uani 1 1 d . . .
C1 C 0.0264(4) -0.2739(4) -0.2148(4) 0.0291(11) Uani 1 1 d . . .
H1A H 0.0183 -0.3078 -0.2898 0.044 Uiso 1 1 calc R . .
H1B H -0.0358 -0.3064 -0.1849 0.044 Uiso 1 1 calc R . .
H1C H 0.0984 -0.2879 -0.1914 0.044 Uiso 1 1 calc R . .
N2 N 0.6829(5) 0.4988(5) 0.2803(4) 0.0525(14) Uani 1 1 d . . .
O2 O -0.0434(2) 0.0297(2) -0.0895(2) 0.0153(6) Uani 1 1 d . . .
O3 O 0.5882(4) 0.4562(5) 0.2944(4) 0.0793(16) Uani 1 1 d . . .
O4 O 0.7663(4) 0.4458(4) 0.2706(3) 0.0539(11) Uani 1 1 d . . .
O5 O 0.6953(4) 0.5969(4) 0.2824(4) 0.0659(13) Uani 1 1 d D . .
C8 C 0.4407(6) 0.2079(6) 0.4798(7) 0.074(2) Uani 1 1 d . . .
H8A H 0.4716 0.1607 0.5116 0.111 Uiso 1 1 calc R . .
H8B H 0.4327 0.1687 0.4053 0.111 Uiso 1 1 calc R . .
H8C H 0.3666 0.2249 0.5066 0.111 Uiso 1 1 calc R . .
C9 C 0.5195(5) 0.3147(6) 0.5041(6) 0.065(2) Uani 1 1 d . . .
H9A H 0.5048 0.3487 0.4531 0.078 Uiso 1 1 calc R . .
H9B H 0.5039 0.3673 0.5725 0.078 Uiso 1 1 calc R . .
O6 O 0.6335(4) 0.2976(4) 0.5031(3) 0.0589(12) Uani 1 1 d . . .
C10 C 0.6713(6) 0.2447(6) 0.3978(6) 0.066(2) Uani 1 1 d . . .
H10A H 0.6269 0.1709 0.3637 0.079 Uiso 1 1 calc R . .
H10B H 0.6602 0.2913 0.357 0.079 Uiso 1 1 calc R . .
C11 C 0.7890(5) 0.2329(6) 0.4047(5) 0.0591(18) Uani 1 1 d . . .
H11A H 0.8 0.1919 0.4498 0.089 Uiso 1 1 calc R . .
H11B H 0.8331 0.3067 0.4327 0.089 Uiso 1 1 calc R . .
H11C H 0.8141 0.1922 0.3363 0.089 Uiso 1 1 calc R . .
O7 O 0.4851(5) 0.6575(7) 0.2372(6) 0.059(3) Uani 0.699(19) 1 d PD A 1
H7 H 0.534(3) 0.626(7) 0.257(8) 0.088 Uiso 0.699(19) 1 d PD A 1
C7 C 0.4884(18) 0.602(2) 0.129(2) 0.067(6) Uani 0.699(19) 1 d P A 1
H7A H 0.5476 0.6423 0.1025 0.1 Uiso 0.699(19) 1 calc PR A 1
H7B H 0.4152 0.601 0.0965 0.1 Uiso 0.699(19) 1 calc PR A 1
H7C H 0.5047 0.5261 0.1138 0.1 Uiso 0.699(19) 1 calc PR A 1
C7B C 0.522(4) 0.621(6) 0.113(6) 0.078(14) Uani 0.301(19) 1 d P A 2
H7D H 0.5836 0.6659 0.0944 0.117 Uiso 0.301(19) 1 calc PR A 2
H7E H 0.4789 0.5704 0.0512 0.117 Uiso 0.301(19) 1 calc PR A 2
H7F H 0.554 0.5774 0.1487 0.117 Uiso 0.301(19) 1 calc PR A 2
O7B O 0.4504(18) 0.691(3) 0.1788(18) 0.091(9) Uani 0.301(19) 1 d P A 2
H7G H 0.4424 0.6762 0.2321 0.137 Uiso 0.301(19) 1 calc PR A 2
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 0 '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 0.006 '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
O1 Mn1 O63C 162.33(11) . .
O1 Mn1 O2 69.64(10) . .
O63C Mn1 O2 100.72(10) . .
O1 Mn1 N62 87.11(11) . .
O63C Mn1 N62 107.93(11) . .
O2 Mn1 N62 143.82(11) . .
O1 Mn1 O2 104.38(10) . 2
O63C Mn1 O2 88.98(10) . 2
O2 Mn1 O2 84.86(10) . 2
N62 Mn1 O2 74.23(11) . 2
O1 Mn1 N1 97.09(11) . .
O63C Mn1 N1 80.61(11) . .
O2 Mn1 N1 139.58(11) . .
N62 Mn1 N1 68.30(12) . .
O2 Mn1 N1 135.43(11) 2 .
O1 Mn1 N22 88.43(11) . .
O63C Mn1 N22 74.54(11) . .
O2 Mn1 N22 74.94(11) . .
N62 Mn1 N22 133.55(12) . .
O2 Mn1 N22 150.71(11) 2 .
N1 Mn1 N22 66.45(12) . .
O1 Mn1 Mn3 34.24(8) . 2
O63C Mn1 Mn3 132.75(8) . 2
O2 Mn1 Mn3 36.03(7) . 2
N62 Mn1 Mn3 119.24(9) . 2
O2 Mn1 Mn3 100.59(7) 2 2
N1 Mn1 Mn3 118.23(9) . 2
N22 Mn1 Mn3 75.23(8) . 2
C6 N1 C2 119.9(4) . .
C6 N1 Mn1 118.0(3) . .
C2 N1 Mn1 120.0(3) . .
N1 C2 C3 120.9(4) . .
N1 C2 C21 115.0(4) . .
C3 C2 C21 124.0(4) . .
C21 C20 H20A 109.5 . .
C21 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C21 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N22 C21 C2 114.1(4) . .
N22 C21 C20 123.9(4) . .
C2 C21 C20 122.1(4) . .
C21 N22 O23 115.4(3) . .
C21 N22 Mn1 121.8(3) . .
O23 N22 Mn1 122.8(2) . .
N22 O23 Mn2 111.2(2) . 2
C4 C3 C2 119.6(4) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C3 C4 C5 119.3(4) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
C4 C5 C6 118.3(4) . .
C4 C5 H5 120.8 . .
C6 C5 H5 120.8 . .
N1 C6 C5 122.0(4) . .
N1 C6 C61 114.5(4) . .
C5 C6 C61 123.5(4) . .
C61 C60 H60A 109.5 . .
C61 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C61 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N62 C61 C60 125.4(4) . .
N62 C61 C6 114.0(4) . .
C60 C61 C6 120.6(4) . .
C61 N62 O63 115.7(3) . .
C61 N62 Mn1 123.0(3) . .
O63 N62 Mn1 121.1(2) . .
N62 O63 Mn2 117.8(2) . .
O2 Mn2 O63 94.78(12) 2 .
O2 Mn2 O23 91.82(12) 2 2
O63 Mn2 O23 173.14(12) . 2
O2 Mn2 N1B 160.82(12) 2 .
O63 Mn2 N1B 85.56(13) . .
O23 Mn2 N1B 88.83(12) 2 .
O2 Mn2 N62B 89.06(12) 2 .
O63 Mn2 N62B 89.73(13) . .
O23 Mn2 N62B 92.26(12) 2 .
N1B Mn2 N62B 71.76(13) . .
O2 Mn2 N22B 128.20(12) 2 .
O63 Mn2 N22B 93.18(12) . .
O23 Mn2 N22B 81.23(12) 2 .
N1B Mn2 N22B 70.83(12) . .
N62B Mn2 N22B 142.11(13) . .
O2 Mn2 Mn3 35.79(8) 2 .
O63 Mn2 Mn3 109.42(9) . .
O23 Mn2 Mn3 77.13(8) 2 .
N1B Mn2 Mn3 126.49(9) . .
N62B Mn2 Mn3 57.82(9) . .
N22B Mn2 Mn3 151.47(9) . .
C2B N1B C6B 120.3(4) . .
C2B N1B Mn2 121.0(3) . .
C6B N1B Mn2 118.6(3) . .
N1B C2B C3B 121.2(4) . .
N1B C2B C21B 114.5(4) . .
C3B C2B C21B 124.3(4) . .
C21B C20B H20D 109.5 . .
C21B C20B H20E 109.5 . .
H20D C20B H20E 109.5 . .
C21B C20B H20F 109.5 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
N22B C21B C2B 114.2(4) . .
N22B C21B C20B 124.4(4) . .
C2B C21B C20B 121.3(4) . .
C21B N22B O23B 114.2(3) . .
C21B N22B Mn2 119.3(3) . .
O23B N22B Mn2 126.0(2) . .
N22B O23B H23B 106(4) . .
C4B C3B C2B 118.5(4) . .
C4B C3B H3B 120.8 . .
C2B C3B H3B 120.8 . .
C5B C4B C3B 121.1(4) . .
C5B C4B H4B 119.5 . .
C3B C4B H4B 119.5 . .
C4B C5B C6B 118.1(4) . .
C4B C5B H5B 120.9 . .
C6B C5B H5B 120.9 . .
N1B C6B C5B 120.7(4) . .
N1B C6B C61B 115.4(4) . .
C5B C6B C61B 123.9(4) . .
C61B C60B H60D 109.5 . .
C61B C60B H60E 109.5 . .
H60D C60B H60E 109.5 . .
C61B C60B H60F 109.5 . .
H60D C60B H60F 109.5 . .
H60E C60B H60F 109.5 . .
N62B C61B C6B 112.2(4) . .
N62B C61B C60B 126.3(4) . .
C6B C61B C60B 121.5(4) . .
C61B N62B O63B 120.2(3) . .
C61B N62B Mn2 121.3(3) . .
O63B N62B Mn2 118.1(2) . .
N62B O63B Mn3 107.7(2) . .
O1 Mn3 O2 83.96(12) 2 2
O1 Mn3 O63B 174.13(13) 2 .
O2 Mn3 O63B 96.67(12) 2 .
O1 Mn3 N1C 95.61(13) 2 .
O2 Mn3 N1C 169.24(13) 2 .
O63B Mn3 N1C 84.87(13) . .
O1 Mn3 N62C 92.24(13) 2 .
O2 Mn3 N62C 95.91(12) 2 .
O63B Mn3 N62C 93.50(12) . .
N1C Mn3 N62C 73.36(13) . .
O1 Mn3 N22C 91.77(13) 2 .
O2 Mn3 N22C 120.81(12) 2 .
O63B Mn3 N22C 82.89(13) . .
N1C Mn3 N22C 69.93(13) . .
N62C Mn3 N22C 143.28(12) . .
O1 Mn3 Mn2 106.98(9) 2 .
O2 Mn3 Mn2 34.54(8) 2 .
O63B Mn3 Mn2 71.14(8) . .
N1C Mn3 Mn2 152.85(10) . .
N62C Mn3 Mn2 119.44(10) . .
N22C Mn3 Mn2 94.03(9) . .
O1 Mn3 Mn1 41.40(8) 2 2
O2 Mn3 Mn1 43.36(8) 2 2
O63B Mn3 Mn1 137.92(9) . 2
N1C Mn3 Mn1 137.00(10) . 2
N62C Mn3 Mn1 101.89(9) . 2
N22C Mn3 Mn1 105.07(9) . 2
Mn2 Mn3 Mn1 67.16(2) . 2
C2C N1C C6C 120.0(4) . .
C2C N1C Mn3 122.4(3) . .
C6C N1C Mn3 117.7(3) . .
N1C C2C C3C 122.7(4) . .
N1C C2C C21C 115.9(4) . .
C3C C2C C21C 121.4(4) . .
C21C C20C H20G 109.5 . .
C21C C20C H20H 109.5 . .
H20G C20C H20H 109.5 . .
C21C C20C H20I 109.5 . .
H20G C20C H20I 109.5 . .
H20H C20C H20I 109.5 . .
N22C C21C C2C 113.6(4) . .
N22C C21C C20C 125.8(4) . .
C2C C21C C20C 120.5(4) . .
C21C N22C O23C 113.4(3) . .
C21C N22C Mn3 117.9(3) . .
O23C N22C Mn3 128.7(2) . .
N22C O23C H23C 104(3) . .
C2C C3C C4C 117.1(5) . .
C2C C3C H3C 121.4 . .
C4C C3C H3C 121.4 . .
C5C C4C C3C 120.0(5) . .
C5C C4C H4C 120 . .
C3C C4C H4C 120 . .
C4C C5C C6C 119.3(5) . .
C4C C5C H5C 120.3 . .
C6C C5C H5C 120.3 . .
N1C C6C C5C 120.6(4) . .
N1C C6C C61C 116.2(4) . .
C5C C6C C61C 123.0(4) . .
C61C C60C H60G 109.5 . .
C61C C60C H60H 109.5 . .
H60G C60C H60H 109.5 . .
C61C C60C H60I 109.5 . .
H60G C60C H60I 109.5 . .
H60H C60C H60I 109.5 . .
N62C C61C C6C 113.2(4) . .
N62C C61C C60C 126.3(4) . .
C6C C61C C60C 120.4(4) . .
C61C N62C O63C 119.4(3) . .
C61C N62C Mn3 119.5(3) . .
O63C N62C Mn3 121.0(2) . .
N62C O63C Mn1 119.0(2) . .
C1 O1 Mn3 123.9(3) . 2
C1 O1 Mn1 129.0(3) . .
Mn3 O1 Mn1 104.36(13) 2 .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O3 N2 O5 119.5(6) . .
O3 N2 O4 119.7(6) . .
O5 N2 O4 120.6(5) . .
Mn2 O2 Mn3 109.67(13) 2 2
Mn2 O2 Mn1 116.03(13) 2 .
Mn3 O2 Mn1 100.61(12) 2 .
Mn2 O2 Mn1 119.01(13) 2 2
Mn3 O2 Mn1 114.31(12) 2 2
Mn1 O2 Mn1 95.14(10) . 2
C9 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C9 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O6 C9 C8 112.3(6) . .
O6 C9 H9A 109.1 . .
C8 C9 H9A 109.1 . .
O6 C9 H9B 109.1 . .
C8 C9 H9B 109.1 . .
H9A C9 H9B 107.9 . .
C9 O6 C10 112.4(5) . .
C11 C10 O6 108.2(6) . .
C11 C10 H10A 110.1 . .
O6 C10 H10A 110.1 . .
C11 C10 H10B 110.1 . .
O6 C10 H10B 110.1 . .
H10A C10 H10B 108.4 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C7 O7 H7 99(8) . .
O7B C7B H7D 109.5 . .
O7B C7B H7E 109.5 . .
H7D C7B H7E 109.5 . .
O7B C7B H7F 109.5 . .
H7D C7B H7F 109.5 . .
H7E C7B H7F 109.5 . .
C7B O7B H7G 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.202(3) .
Mn1 O63C 2.219(3) .
Mn1 O2 2.254(3) .
Mn1 N62 2.275(4) .
Mn1 N1 2.322(4) .
Mn1 N22 2.379(3) .
N1 C6 1.342(6) .
N1 C2 1.343(5) .
C2 C3 1.386(6) .
C2 C21 1.474(6) .
C20 C21 1.512(6) .
C20 H20A 0.98 .
C20 H20B 0.98 .
C20 H20C 0.98 .
C21 N22 1.285(5) .
N22 O23 1.390(4) .
O23 Mn2 1.940(3) 2
C3 C4 1.384(7) .
C3 H3 0.95 .
C4 C5 1.388(6) .
C4 H4 0.95 .
C5 C6 1.388(6) .
C5 H5 0.95 .
C6 C61 1.493(6) .
C60 C61 1.489(6) .
C60 H60A 0.98 .
C60 H60B 0.98 .
C60 H60C 0.98 .
C61 N62 1.286(5) .
N62 O63 1.378(4) .
O63 Mn2 1.884(3) .
Mn2 O2 1.872(3) 2
Mn2 O23 1.940(3) 2
Mn2 N1B 2.149(3) .
Mn2 N62B 2.200(3) .
Mn2 N22B 2.270(3) .
Mn2 Mn3 3.1084(9) .
N1B C2B 1.341(5) .
N1B C6B 1.359(5) .
C2B C3B 1.388(6) .
C2B C21B 1.479(6) .
C20B C21B 1.504(6) .
C20B H20D 0.98 .
C20B H20E 0.98 .
C20B H20F 0.98 .
C21B N22B 1.281(5) .
N22B O23B 1.378(4) .
O23B H23B 0.85(2) .
C3B C4B 1.378(7) .
C3B H3B 0.95 .
C4B C5B 1.376(6) .
C4B H4B 0.95 .
C5B C6B 1.398(6) .
C5B H5B 0.95 .
C6B C61B 1.479(6) .
C60B C61B 1.493(6) .
C60B H60D 0.98 .
C60B H60E 0.98 .
C60B H60F 0.98 .
C61B N62B 1.292(6) .
N62B O63B 1.364(4) .
O63B Mn3 1.937(3) .
Mn3 O1 1.874(3) 2
Mn3 O2 1.931(3) 2
Mn3 N1C 2.130(3) .
Mn3 N62C 2.187(3) .
Mn3 N22C 2.361(3) .
Mn3 Mn1 3.2262(9) 2
N1C C2C 1.340(6) .
N1C C6C 1.347(6) .
C2C C3C 1.390(7) .
C2C C21C 1.482(6) .
C20C C21C 1.501(6) .
C20C H20G 0.98 .
C20C H20H 0.98 .
C20C H20I 0.98 .
C21C N22C 1.277(6) .
N22C O23C 1.394(4) .
O23C H23C 0.91(5) .
C3C C4C 1.399(7) .
C3C H3C 0.95 .
C4C C5C 1.385(8) .
C4C H4C 0.95 .
C5C C6C 1.391(6) .
C5C H5C 0.95 .
C6C C61C 1.475(6) .
C60C C61C 1.496(6) .
C60C H60G 0.98 .
C60C H60H 0.98 .
C60C H60I 0.98 .
C61C N62C 1.292(5) .
N62C O63C 1.357(4) .
O1 C1 1.416(5) .
O1 Mn3 1.874(3) 2
C1 H1A 0.98 .
C1 H1B 0.98 .
C1 H1C 0.98 .
N2 O3 1.249(7) .
N2 O5 1.256(7) .
N2 O4 1.257(7) .
O2 Mn2 1.872(3) 2
O2 Mn3 1.931(3) 2
O2 Mn1 2.321(3) 2
C8 C9 1.510(9) .
C8 H8A 0.98 .
C8 H8B 0.98 .
C8 H8C 0.98 .
C9 O6 1.404(8) .
C9 H9A 0.99 .
C9 H9B 0.99 .
O6 C10 1.481(8) .
C10 C11 1.439(9) .
C10 H10A 0.99 .
C10 H10B 0.99 .
C11 H11A 0.98 .
C11 H11B 0.98 .
C11 H11C 0.98 .
O7 C7 1.43(3) .
O7 H7 0.85(2) .
C7 H7A 0.98 .
C7 H7B 0.98 .
C7 H7C 0.98 .
C7B O7B 1.41(7) .
C7B H7D 0.98 .
C7B H7E 0.98 .
C7B H7F 0.98 .
O7B H7G 0.84 .
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
O1 Mn1 N1 C6 -97.0(3) . .
O63C Mn1 N1 C6 100.7(3) . .
O2 Mn1 N1 C6 -163.8(2) . .
N62 Mn1 N1 C6 -13.0(3) . .
O2 Mn1 N1 C6 21.9(4) 2 .
N22 Mn1 N1 C6 177.8(3) . .
Mn3 Mn1 N1 C6 -125.5(3) 2 .
O1 Mn1 N1 C2 99.6(3) . .
O63C Mn1 N1 C2 -62.7(3) . .
O2 Mn1 N1 C2 32.8(4) . .
N62 Mn1 N1 C2 -176.4(3) . .
O2 Mn1 N1 C2 -141.5(3) 2 .
N22 Mn1 N1 C2 14.4(3) . .
Mn3 Mn1 N1 C2 71.1(3) 2 .
C6 N1 C2 C3 -0.7(6) . .
Mn1 N1 C2 C3 162.4(3) . .
C6 N1 C2 C21 177.9(4) . .
Mn1 N1 C2 C21 -19.0(5) . .
N1 C2 C21 N22 10.7(5) . .
C3 C2 C21 N22 -170.8(4) . .
N1 C2 C21 C20 -168.2(4) . .
C3 C2 C21 C20 10.3(7) . .
C2 C21 N22 O23 -175.6(3) . .
C20 C21 N22 O23 3.2(6) . .
C2 C21 N22 Mn1 2.1(5) . .
C20 C21 N22 Mn1 -179.0(3) . .
O1 Mn1 N22 C21 -106.9(3) . .
O63C Mn1 N22 C21 77.9(3) . .
O2 Mn1 N22 C21 -176.2(3) . .
N62 Mn1 N22 C21 -22.4(4) . .
O2 Mn1 N22 C21 135.8(3) 2 .
N1 Mn1 N22 C21 -8.4(3) . .
Mn3 Mn1 N22 C21 -138.9(3) 2 .
O1 Mn1 N22 O23 70.7(3) . .
O63C Mn1 N22 O23 -104.5(3) . .
O2 Mn1 N22 O23 1.4(2) . .
N62 Mn1 N22 O23 155.2(2) . .
O2 Mn1 N22 O23 -46.6(4) 2 .
N1 Mn1 N22 O23 169.2(3) . .
Mn3 Mn1 N22 O23 38.7(2) 2 .
C21 N22 O23 Mn2 -154.4(3) . 2
Mn1 N22 O23 Mn2 27.9(3) . 2
N1 C2 C3 C4 1.0(7) . .
C21 C2 C3 C4 -177.4(4) . .
C2 C3 C4 C5 -0.6(7) . .
C3 C4 C5 C6 -0.3(7) . .
C2 N1 C6 C5 -0.2(6) . .
Mn1 N1 C6 C5 -163.6(3) . .
C2 N1 C6 C61 -179.8(4) . .
Mn1 N1 C6 C61 16.8(4) . .
C4 C5 C6 N1 0.7(7) . .
C4 C5 C6 C61 -179.8(4) . .
N1 C6 C61 N62 -9.9(5) . .
C5 C6 C61 N62 170.5(4) . .
N1 C6 C61 C60 169.8(4) . .
C5 C6 C61 C60 -9.8(6) . .
C60 C61 N62 O63 -4.6(6) . .
C6 C61 N62 O63 175.1(3) . .
C60 C61 N62 Mn1 178.4(3) . .
C6 C61 N62 Mn1 -1.9(5) . .
O1 Mn1 N62 C61 106.5(3) . .
O63C Mn1 N62 C61 -64.1(3) . .
O2 Mn1 N62 C61 155.2(3) . .
O2 Mn1 N62 C61 -147.7(3) 2 .
N1 Mn1 N62 C61 7.7(3) . .
N22 Mn1 N62 C61 21.4(4) . .
Mn3 Mn1 N62 C61 118.8(3) 2 .
O1 Mn1 N62 O63 -70.4(3) . .
O63C Mn1 N62 O63 119.1(3) . .
O2 Mn1 N62 O63 -21.6(4) . .
O2 Mn1 N62 O63 35.5(3) 2 .
N1 Mn1 N62 O63 -169.2(3) . .
N22 Mn1 N62 O63 -155.4(2) . .
Mn3 Mn1 N62 O63 -58.0(3) 2 .
C61 N62 O63 Mn2 147.1(3) . .
Mn1 N62 O63 Mn2 -35.8(3) . .
N62 O63 Mn2 O2 10.0(3) . 2
N62 O63 Mn2 N1B -150.7(3) . .
N62 O63 Mn2 N62B -79.0(3) . .
N62 O63 Mn2 N22B 138.8(3) . .
N62 O63 Mn2 Mn3 -23.5(3) . .
O2 Mn2 N1B C2B 175.6(3) 2 .
O63 Mn2 N1B C2B -92.7(3) . .
O23 Mn2 N1B C2B 83.4(3) 2 .
N62B Mn2 N1B C2B 176.2(3) . .
N22B Mn2 N1B C2B 2.3(3) . .
Mn3 Mn2 N1B C2B 156.4(3) . .
O2 Mn2 N1B C6B -8.2(6) 2 .
O63 Mn2 N1B C6B 83.6(3) . .
O23 Mn2 N1B C6B -100.3(3) 2 .
N62B Mn2 N1B C6B -7.6(3) . .
N22B Mn2 N1B C6B 178.5(3) . .
Mn3 Mn2 N1B C6B -27.3(3) . .
C6B N1B C2B C3B -0.5(6) . .
Mn2 N1B C2B C3B 175.7(3) . .
C6B N1B C2B C21B 179.1(4) . .
Mn2 N1B C2B C21B -4.7(5) . .
N1B C2B C21B N22B 5.1(5) . .
C3B C2B C21B N22B -175.3(4) . .
N1B C2B C21B C20B -171.0(4) . .
C3B C2B C21B C20B 8.6(6) . .
C2B C21B N22B O23B -175.6(3) . .
C20B C21B N22B O23B 0.4(6) . .
C2B C21B N22B Mn2 -3.4(5) . .
C20B C21B N22B Mn2 172.6(3) . .
O2 Mn2 N22B C21B -176.4(3) 2 .
O63 Mn2 N22B C21B 85.0(3) . .
O23 Mn2 N22B C21B -91.0(3) 2 .
N1B Mn2 N22B C21B 0.8(3) . .
N62B Mn2 N22B C21B -8.7(4) . .
Mn3 Mn2 N22B C21B -131.9(3) . .
O2 Mn2 N22B O23B -5.2(4) 2 .
O63 Mn2 N22B O23B -103.8(3) . .
O23 Mn2 N22B O23B 80.2(3) 2 .
N1B Mn2 N22B O23B 172.0(3) . .
N62B Mn2 N22B O23B 162.6(3) . .
Mn3 Mn2 N22B O23B 39.3(4) . .
N1B C2B C3B C4B -1.7(7) . .
C21B C2B C3B C4B 178.7(4) . .
C2B C3B C4B C5B 2.0(7) . .
C3B C4B C5B C6B -0.1(7) . .
C2B N1B C6B C5B 2.5(6) . .
Mn2 N1B C6B C5B -173.8(3) . .
C2B N1B C6B C61B -176.6(4) . .
Mn2 N1B C6B C61B 7.1(5) . .
C4B C5B C6B N1B -2.1(6) . .
C4B C5B C6B C61B 176.8(4) . .
N1B C6B C61B N62B -0.4(5) . .
C5B C6B C61B N62B -179.4(4) . .
N1B C6B C61B C60B 177.4(4) . .
C5B C6B C61B C60B -1.6(7) . .
C6B C61B N62B O63B -179.4(3) . .
C60B C61B N62B O63B 2.9(7) . .
C6B C61B N62B Mn2 -6.5(5) . .
C60B C61B N62B Mn2 175.8(4) . .
O2 Mn2 N62B C61B -172.4(3) 2 .
O63 Mn2 N62B C61B -77.6(3) . .
O23 Mn2 N62B C61B 95.8(3) 2 .
N1B Mn2 N62B C61B 7.8(3) . .
N22B Mn2 N62B C61B 17.2(4) . .
Mn3 Mn2 N62B C61B 169.1(4) . .
O2 Mn2 N62B O63B 0.6(3) 2 .
O63 Mn2 N62B O63B 95.4(3) . .
O23 Mn2 N62B O63B -91.1(3) 2 .
N1B Mn2 N62B O63B -179.2(3) . .
N22B Mn2 N62B O63B -169.7(2) . .
Mn3 Mn2 N62B O63B -17.9(2) . .
C61B N62B O63B Mn3 -160.9(3) . .
Mn2 N62B O63B Mn3 26.0(3) . .
N62B O63B Mn3 O2 -40.4(2) . 2
N62B O63B Mn3 N1C 150.3(2) . .
N62B O63B Mn3 N62C -136.8(2) . .
N62B O63B Mn3 N22C 79.9(2) . .
N62B O63B Mn3 Mn2 -16.8(2) . .
N62B O63B Mn3 Mn1 -24.7(3) . 2
O2 Mn2 Mn3 O1 50.38(17) 2 2
O63 Mn2 Mn3 O1 120.62(13) . 2
O23 Mn2 Mn3 O1 -61.50(13) 2 2
N1B Mn2 Mn3 O1 -140.25(15) . 2
N62B Mn2 Mn3 O1 -162.53(14) . 2
N22B Mn2 Mn3 O1 -19.9(2) . 2
O63 Mn2 Mn3 O2 70.25(17) . 2
O23 Mn2 Mn3 O2 -111.87(17) 2 2
N1B Mn2 Mn3 O2 169.37(19) . 2
N62B Mn2 Mn3 O2 147.09(18) . 2
N22B Mn2 Mn3 O2 -70.3(2) . 2
O2 Mn2 Mn3 O63B -135.46(17) 2 .
O63 Mn2 Mn3 O63B -65.21(13) . .
O23 Mn2 Mn3 O63B 112.66(12) 2 .
N1B Mn2 Mn3 O63B 33.91(15) . .
N62B Mn2 Mn3 O63B 11.63(14) . .
N22B Mn2 Mn3 O63B 154.3(2) . .
O2 Mn2 Mn3 N1C -164.6(3) 2 .
O63 Mn2 Mn3 N1C -94.4(2) . .
O23 Mn2 Mn3 N1C 83.5(2) 2 .
N1B Mn2 Mn3 N1C 4.8(3) . .
N62B Mn2 Mn3 N1C -17.5(2) . .
N22B Mn2 Mn3 N1C 125.1(3) . .
O2 Mn2 Mn3 N62C -52.29(18) 2 .
O63 Mn2 Mn3 N62C 17.96(14) . .
O23 Mn2 Mn3 N62C -164.16(13) 2 .
N1B Mn2 Mn3 N62C 117.09(16) . .
N62B Mn2 Mn3 N62C 94.81(15) . .
N22B Mn2 Mn3 N62C -122.6(2) . .
O2 Mn2 Mn3 N22C 143.46(17) 2 .
O63 Mn2 Mn3 N22C -146.29(13) . .
O23 Mn2 Mn3 N22C 31.59(12) 2 .
N1B Mn2 Mn3 N22C -47.17(15) . .
N62B Mn2 Mn3 N22C -69.45(14) . .
N22B Mn2 Mn3 N22C 73.2(2) . .
O2 Mn2 Mn3 Mn1 38.79(15) 2 2
O63 Mn2 Mn3 Mn1 109.04(9) . 2
O23 Mn2 Mn3 Mn1 -73.08(8) 2 2
N1B Mn2 Mn3 Mn1 -151.83(12) . 2
N62B Mn2 Mn3 Mn1 -174.11(11) . 2
N22B Mn2 Mn3 Mn1 -31.47(19) . 2
O1 Mn3 N1C C2C 85.3(4) 2 .
O2 Mn3 N1C C2C 172.5(6) 2 .
O63B Mn3 N1C C2C -88.8(4) . .
N62C Mn3 N1C C2C 176.0(4) . .
N22C Mn3 N1C C2C -4.5(3) . .
Mn2 Mn3 N1C C2C -61.2(5) . .
Mn1 Mn3 N1C C2C 86.3(4) 2 .
O1 Mn3 N1C C6C -92.7(3) 2 .
O2 Mn3 N1C C6C -5.6(9) 2 .
O63B Mn3 N1C C6C 93.1(3) . .
N62C Mn3 N1C C6C -2.1(3) . .
N22C Mn3 N1C C6C 177.4(4) . .
Mn2 Mn3 N1C C6C 120.7(3) . .
Mn1 Mn3 N1C C6C -91.8(3) 2 .
C6C N1C C2C C3C 5.4(7) . .
Mn3 N1C C2C C3C -172.6(4) . .
C6C N1C C2C C21C -175.4(4) . .
Mn3 N1C C2C C21C 6.6(6) . .
N1C C2C C21C N22C -4.5(6) . .
C3C C2C C21C N22C 174.8(5) . .
N1C C2C C21C C20C 174.0(4) . .
C3C C2C C21C C20C -6.7(7) . .
C2C C21C N22C O23C 178.8(4) . .
C20C C21C N22C O23C 0.4(6) . .
C2C C21C N22C Mn3 0.8(5) . .
C20C C21C N22C Mn3 -177.6(4) . .
O1 Mn3 N22C C21C -93.6(3) 2 .
O2 Mn3 N22C C21C -177.6(3) 2 .
O63B Mn3 N22C C21C 88.9(3) . .
N1C Mn3 N22C C21C 1.8(3) . .
N62C Mn3 N22C C21C 2.6(4) . .
Mn2 Mn3 N22C C21C 159.3(3) . .
Mn1 Mn3 N22C C21C -133.3(3) 2 .
O1 Mn3 N22C O23C 88.7(3) 2 .
O2 Mn3 N22C O23C 4.7(4) 2 .
O63B Mn3 N22C O23C -88.8(3) . .
N1C Mn3 N22C O23C -176.0(4) . .
N62C Mn3 N22C O23C -175.2(3) . .
Mn2 Mn3 N22C O23C -18.4(3) . .
Mn1 Mn3 N22C O23C 49.0(3) 2 .
N1C C2C C3C C4C -3.7(8) . .
C21C C2C C3C C4C 177.1(5) . .
C2C C3C C4C C5C -0.6(9) . .
C3C C4C C5C C6C 3.1(9) . .
C2C N1C C6C C5C -2.7(7) . .
Mn3 N1C C6C C5C 175.4(4) . .
C2C N1C C6C C61C -177.4(4) . .
Mn3 N1C C6C C61C 0.7(5) . .
C4C C5C C6C N1C -1.5(8) . .
C4C C5C C6C C61C 172.8(5) . .
N1C C6C C61C N62C 2.3(6) . .
C5C C6C C61C N62C -172.3(5) . .
N1C C6C C61C C60C 179.4(4) . .
C5C C6C C61C C60C 4.9(7) . .
C6C C61C N62C O63C 171.5(3) . .
C60C C61C N62C O63C -5.5(7) . .
C6C C61C N62C Mn3 -4.2(5) . .
C60C C61C N62C Mn3 178.8(3) . .
O1 Mn3 N62C C61C 98.7(3) 2 .
O2 Mn3 N62C C61C -177.1(3) 2 .
O63B Mn3 N62C C61C -80.0(3) . .
N1C Mn3 N62C C61C 3.5(3) . .
N22C Mn3 N62C C61C 2.8(4) . .
Mn2 Mn3 N62C C61C -150.3(3) . .
Mn1 Mn3 N62C C61C 139.4(3) 2 .
O1 Mn3 N62C O63C -76.9(3) 2 .
O2 Mn3 N62C O63C 7.3(3) 2 .
O63B Mn3 N62C O63C 104.4(3) . .
N1C Mn3 N62C O63C -172.0(3) . .
N22C Mn3 N62C O63C -172.8(2) . .
Mn2 Mn3 N62C O63C 34.1(3) . .
Mn1 Mn3 N62C O63C -36.2(3) 2 .
C61C N62C O63C Mn1 173.2(3) . .
Mn3 N62C O63C Mn1 -11.2(4) . .
O1 Mn1 O63C N62C 148.3(3) . .
O2 Mn1 O63C N62C 93.2(3) . .
N62 Mn1 O63C N62C -64.5(3) . .
O2 Mn1 O63C N62C 8.6(3) 2 .
N1 Mn1 O63C N62C -127.9(3) . .
N22 Mn1 O63C N62C 164.1(3) . .
Mn3 Mn1 O63C N62C 112.1(2) 2 .
O63C Mn1 O1 C1 147.9(4) . .
O2 Mn1 O1 C1 -152.8(4) . .
N62 Mn1 O1 C1 -1.0(4) . .
O2 Mn1 O1 C1 -74.0(4) 2 .
N1 Mn1 O1 C1 66.7(4) . .
N22 Mn1 O1 C1 132.7(4) . .
Mn3 Mn1 O1 C1 -161.7(4) 2 .
O63C Mn1 O1 Mn3 -50.4(4) . 2
O2 Mn1 O1 Mn3 8.90(11) . 2
N62 Mn1 O1 Mn3 160.64(14) . 2
O2 Mn1 O1 Mn3 87.72(14) 2 2
N1 Mn1 O1 Mn3 -131.65(14) . 2
N22 Mn1 O1 Mn3 -65.61(14) . 2
O1 Mn1 O2 Mn2 -126.72(17) . 2
O63C Mn1 O2 Mn2 37.88(15) . 2
N62 Mn1 O2 Mn2 -179.96(16) . 2
O2 Mn1 O2 Mn2 125.86(18) 2 2
N1 Mn1 O2 Mn2 -50.2(2) . 2
N22 Mn1 O2 Mn2 -32.73(14) . 2
Mn3 Mn1 O2 Mn2 -118.21(19) 2 2
O1 Mn1 O2 Mn3 -8.51(11) . 2
O63C Mn1 O2 Mn3 156.09(11) . 2
N62 Mn1 O2 Mn3 -61.7(2) . 2
O2 Mn1 O2 Mn3 -115.93(14) 2 2
N1 Mn1 O2 Mn3 68.0(2) . 2
N22 Mn1 O2 Mn3 85.48(13) . 2
O1 Mn1 O2 Mn1 107.42(12) . 2
O63C Mn1 O2 Mn1 -87.98(10) . 2
N62 Mn1 O2 Mn1 54.2(2) . 2
O2 Mn1 O2 Mn1 0 2 2
N1 Mn1 O2 Mn1 -176.04(14) . 2
N22 Mn1 O2 Mn1 -158.59(12) . 2
Mn3 Mn1 O2 Mn1 115.93(14) 2 2
C8 C9 O6 C10 74.0(8) . .
C9 O6 C10 C11 178.8(6) . .
