#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:18:41 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180499 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/68/7216846.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_7216846
loop_
_publ_author_name
'Hu, Fei-Long'
'Wang, Shu-Long'
'Wu, Bing'
'Yu, Hong'
'Wang, Fan'
'Lang, Jian-Ping'
_publ_section_title
;
 Ligand geometry-directed assembly of seven entangled coordination
 polymers
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              6354
_journal_paper_doi               10.1039/c3ce42545b
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C57 H49 Mn3 N5 O20'
_chemical_formula_weight         1284.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.312(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.226(8)
_cell_length_b                   19.610(13)
_cell_length_c                   23.292(15)
_cell_measurement_reflns_used    8370
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.19
_cell_measurement_theta_min      2.21
_cell_volume                     5924(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0490
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            16522
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.708
_exptl_absorpt_correction_T_max  0.8713
_exptl_absorpt_correction_T_min  0.8655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2628
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.920
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.058
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     768
_refine_ls_number_reflns         9677
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0399
_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)+(0.0613P)²+4.0635P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1038
_refine_ls_wR_factor_ref         0.1067
_reflns_number_gt                9087
_reflns_number_total             9677
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42545b2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        5923(7)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7216846
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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
Mn1 Mn 1.03648(4) 0.03128(3) 0.06445(2) 0.03009(13) Uani 1 1 d .
Mn2 Mn 0.78059(4) 0.34423(3) -0.03640(3) 0.03240(14) Uani 1 1 d .
Mn3 Mn 0.90116(4) 0.18705(3) 0.02502(2) 0.02588(12) Uani 1 1 d .
N1 N 0.8738(3) 0.43787(18) -0.00447(17) 0.0444(9) Uani 1 1 d .
N2 N 0.9248(3) 0.54508(16) 0.01058(16) 0.0391(8) Uani 1 1 d .
N3 N 0.8941(3) 0.83179(16) 0.01599(17) 0.0412(8) Uani 1 1 d .
N4 N 0.9398(3) -0.06050(17) 0.03246(18) 0.0440(9) Uani 1 1 d .
N5 N 0.3342(4) 0.9678(3) 0.3007(2) 0.0678(12) Uani 1 1 d .
O2 O 0.2841(5) 1.0016(3) 0.2053(2) 0.114(2) Uani 1 1 d .
O3 O 0.9380(2) 0.05192(16) 0.12395(14) 0.0474(7) Uani 1 1 d .
O4 O 0.8221(2) 0.12655(16) 0.07801(13) 0.0478(7) Uani 1 1 d .
O5 O 0.5622(3) -0.00708(19) 0.24970(16) 0.0622(10) Uani 1 1 d .
O6 O 0.7084(2) 0.34648(14) 0.05010(13) 0.0402(7) Uani 1 1 d .
O7 O 0.8503(2) 0.28983(12) 0.04900(11) 0.0333(6) Uani 1 1 d .
O8 O 0.8019(3) 0.2119(2) 0.30608(15) 0.0715(12) Uani 1 1 d .
O9 O 0.9816(3) 0.24298(17) -0.03046(15) 0.0575(9) Uani 1 1 d .
O10 O 0.8963(3) 0.32457(18) -0.08690(15) 0.0532(8) Uani 1 1 d .
O11 O 1.0359(2) 0.19843(15) 0.09148(14) 0.0454(7) Uani 1 1 d .
O12 O 1.1416(2) 0.10858(15) 0.10170(14) 0.0450(7) Uani 1 1 d .
O13 O 0.9542(2) 0.09189(13) -0.01356(12) 0.0363(6) Uani 1 1 d .
O14 O 1.0915(2) 0.03559(15) -0.02630(12) 0.0433(7) Uani 1 1 d .
O15 O 0.7539(3) 0.18503(18) -0.03253(15) 0.0544(8) Uani 1 1 d .
O16 O 0.6788(2) 0.27009(15) -0.08735(14) 0.0483(8) Uani 1 1 d .
O17 O 0.6649(4) 0.4128(2) -0.0823(3) 0.114(2) Uani 1 1 d .
H17B H 0.6426 0.4399 -0.0592 0.137 Uiso 1 1 d R
H17C H 0.6147 0.3917 -0.1032 0.137 Uiso 1 1 d R
O18 O 0.9550(2) 0.16416(19) -0.28093(14) 0.0573(9) Uani 1 1 d .
O19 O 1.1592(3) -0.03549(16) 0.10461(15) 0.0597(10) Uani 1 1 d .
H19 H 1.1594 -0.0697 0.0844 0.072 Uiso 1 1 d R
H19B H 1.2052 -0.0295 0.1378 0.072 Uiso 1 1 d R
O20 O 0.5714(9) 0.4190(6) 0.7508(12) 0.423(16) Uani 1 1 d .
O21 O 0.5157(11) 0.4078(5) 0.8467(7) 0.264(8) Uani 1 1 d .
C1 C 1.0162(3) 0.07313(18) -0.04692(16) 0.0320(8) Uani 1 1 d .
C2 C 0.9956(3) 0.09458(19) -0.10869(17) 0.0321(8) Uani 1 1 d .
C3 C 0.9110(3) 0.13464(19) -0.13196(16) 0.0335(8) Uani 1 1 d .
H3 H 0.8642 0.1458 -0.1084 0.040 Uiso 1 1 calc R
C4 C 0.8938(3) 0.1586(2) -0.18877(19) 0.0388(9) Uani 1 1 d .
H4 H 0.8365 0.1856 -0.2029 0.047 Uiso 1 1 calc R
C5 C 0.9620(3) 0.1423(2) -0.22450(18) 0.0394(9) Uani 1 1 d .
C6 C 1.0472(3) 0.1002(2) -0.20282(18) 0.0467(11) Uani 1 1 d .
H6 H 1.0920 0.0877 -0.2272 0.056 Uiso 1 1 calc R
C7 C 1.0644(3) 0.0776(2) -0.14650(19) 0.0439(10) Uani 1 1 d .
H7 H 1.1218 0.0507 -0.1325 0.053 Uiso 1 1 calc R
C8 C 0.8699(3) 0.2060(3) -0.30491(19) 0.0455(10) Uani 1 1 d .
C9 C 0.9714(3) -0.1243(2) 0.0344(2) 0.0432(10) Uani 1 1 d .
H9 H 1.0397 -0.1374 0.0472 0.052 Uiso 1 1 calc R
C10 C 1.3788(4) 0.2249(3) 0.1992(2) 0.0537(12) Uani 1 1 d .
H10 H 1.4396 0.2052 0.2191 0.064 Uiso 1 1 calc R
C11 C 1.2969(3) 0.1843(2) 0.1736(2) 0.0474(11) Uani 1 1 d .
H11 H 1.3023 0.1371 0.1766 0.057 Uiso 1 1 calc R
C12 C 1.2075(3) 0.2135(2) 0.14354(17) 0.0341(8) Uani 1 1 d .
C13 C 1.1982(4) 0.2837(2) 0.1405(2) 0.0468(10) Uani 1 1 d .
H13 H 1.1366 0.3035 0.1217 0.056 Uiso 1 1 calc R
C14 C 1.2807(4) 0.3248(2) 0.1653(2) 0.0538(12) Uani 1 1 d .
H14 H 1.2761 0.3720 0.1621 0.065 Uiso 1 1 calc R
C15 C 1.1210(3) 0.1697(2) 0.10976(17) 0.0344(8) Uani 1 1 d .
C16 C 0.8510(3) 0.08154(19) 0.11546(17) 0.0361(9) Uani 1 1 d .
C17 C 0.7773(3) 0.06078(19) 0.15383(16) 0.0328(8) Uani 1 1 d .
C18 C 0.6787(3) 0.0875(2) 0.14607(19) 0.0419(10) Uani 1 1 d .
H18 H 0.6591 0.1216 0.1184 0.050 Uiso 1 1 calc R
C19 C 0.6093(4) 0.0645(2) 0.1785(2) 0.0504(11) Uani 1 1 d .
H19A H 0.5435 0.0833 0.1727 0.060 Uiso 1 1 calc R
C20 C 0.6369(3) 0.0139(2) 0.2196(2) 0.0428(10) Uani 1 1 d .
C21 C 0.7351(4) -0.0114(2) 0.2297(2) 0.0500(12) Uani 1 1 d .
H21 H 0.7554 -0.0437 0.2590 0.060 Uiso 1 1 calc R
C22 C 0.8048(4) 0.0112(2) 0.1962(2) 0.0469(11) Uani 1 1 d .
H22 H 0.8708 -0.0073 0.2024 0.056 Uiso 1 1 calc R
C23 C 0.5919(3) -0.0577(2) 0.2926(2) 0.0480(11) Uani 1 1 d .
C24 C 0.7188(4) 0.2581(3) 0.3783(2) 0.0528(11) Uani 1 1 d .
H24 H 0.7729 0.2889 0.3883 0.063 Uiso 1 1 calc R
C25 C 0.7181(4) 0.2129(3) 0.3344(2) 0.0544(13) Uani 1 1 d .
C26 C 0.6388(4) 0.1670(3) 0.3195(2) 0.0589(13) Uani 1 1 d .
H26 H 0.6396 0.1360 0.2893 0.071 Uiso 1 1 calc R
C27 C 0.7899(3) 0.2375(2) 0.24954(19) 0.0464(10) Uani 1 1 d .
C28 C 0.7004(3) 0.2673(2) 0.21931(19) 0.0464(11) Uani 1 1 d .
H28 H 0.6427 0.2711 0.2364 0.056 Uiso 1 1 calc R
C29 C 0.6981(3) 0.2916(2) 0.1628(2) 0.0421(9) Uani 1 1 d .
H29 H 0.6385 0.3122 0.1423 0.051 Uiso 1 1 calc R
C30 C 0.7822(3) 0.28560(19) 0.13700(17) 0.0328(8) Uani 1 1 d .
C31 C 0.8728(3) 0.2553(2) 0.16859(18) 0.0398(9) Uani 1 1 d .
H31 H 0.9304 0.2510 0.1514 0.048 Uiso 1 1 calc R
C32 C 0.8765(3) 0.2322(3) 0.22465(19) 0.0452(10) Uani 1 1 d .
H32 H 0.9369 0.2131 0.2458 0.054 Uiso 1 1 calc R
C33 C 0.7799(3) 0.30865(18) 0.07546(17) 0.0318(8) Uani 1 1 d .
C34 C 0.9705(3) 0.2847(2) -0.07226(19) 0.0401(10) Uani 1 1 d .
C35 C 1.1368(3) 0.2419(2) -0.0914(2) 0.0448(10) Uani 1 1 d .
H35 H 1.1369 0.2109 -0.0612 0.054 Uiso 1 1 calc R
C36 C 1.0568(3) 0.2871(2) -0.10577(18) 0.0373(9) Uani 1 1 d .
C37 C 1.0577(4) 0.3332(3) -0.1507(2) 0.0523(11) Uani 1 1 d .
H37 H 1.0040 0.3642 -0.1609 0.063 Uiso 1 1 calc R
C38 C 0.6975(3) 0.2085(2) -0.07767(18) 0.0359(9) Uani 1 1 d .
C39 C 0.6520(3) 0.1561(2) -0.12284(17) 0.0355(8) Uani 1 1 d .
C40 C 0.6070(4) 0.1746(2) -0.1792(2) 0.0476(10) Uani 1 1 d .
H40 H 0.5970 0.2205 -0.1887 0.057 Uiso 1 1 calc R
C41 C 0.5764(4) 0.1250(3) -0.2220(2) 0.0550(12) Uani 1 1 d .
H41 H 0.5458 0.1375 -0.2600 0.066 Uiso 1 1 calc R
C42 C 0.6329(4) 0.0380(2) -0.1514(2) 0.0532(12) Uani 1 1 d .
H42 H 0.6396 -0.0080 -0.1417 0.064 Uiso 1 1 calc R
C43 C 0.6642(3) 0.0872(2) -0.10971(19) 0.0451(10) Uani 1 1 d .
H43 H 0.6943 0.0740 -0.0718 0.054 Uiso 1 1 calc R
C44 C 0.9798(4) 0.4402(3) 0.0118(3) 0.0651(15) Uani 1 1 d .
H44 H 1.0228 0.4023 0.0161 0.078 Uiso 1 1 calc R
C45 C 1.0123(4) 0.5050(2) 0.0206(3) 0.0638(15) Uani 1 1 d .
H45 H 1.0802 0.5198 0.0312 0.077 Uiso 1 1 calc R
C46 C 0.8442(3) 0.5016(2) -0.0041(2) 0.0403(9) Uani 1 1 d .
H46 H 0.7756 0.5154 -0.0130 0.048 Uiso 1 1 calc R
C47 C 0.9186(3) 0.61799(19) 0.01296(19) 0.0378(9) Uani 1 1 d .
C48 C 0.9981(4) 0.6579(2) 0.0005(2) 0.0522(12) Uani 1 1 d .
H48 H 1.0562 0.6376 -0.0090 0.063 Uiso 1 1 calc R
C49 C 0.9901(3) 0.7283(2) 0.0022(2) 0.0519(12) Uani 1 1 d .
H49 H 1.0436 0.7554 -0.0054 0.062 Uiso 1 1 calc R
C50 C 0.9032(3) 0.7579(2) 0.01520(18) 0.0374(9) Uani 1 1 d .
C51 C 0.8250(3) 0.7184(2) 0.0277(2) 0.0452(10) Uani 1 1 d .
H51 H 0.7667 0.7391 0.0366 0.054 Uiso 1 1 calc R
C52 C 0.8318(3) 0.6482(2) 0.0273(2) 0.0436(10) Uani 1 1 d .
H52 H 0.7791 0.6215 0.0365 0.052 Uiso 1 1 calc R
C53 C 0.8065(4) 0.8702(3) 0.0012(3) 0.0752(19) Uani 1 1 d .
H53 H 0.7401 0.8546 -0.0135 0.090 Uiso 1 1 calc R
C54 C 0.8367(4) 0.9358(2) 0.0125(3) 0.0702(17) Uani 1 1 d .
H54 H 0.7925 0.9731 0.0073 0.084 Uiso 1 1 calc R
C55 C 0.3388(10) 1.0356(5) 0.3228(4) 0.139(4) Uani 1 1 d .
H55A H 0.3807 1.0630 0.3025 0.209 Uiso 1 1 calc R
H55B H 0.3683 1.0352 0.3638 0.209 Uiso 1 1 calc R
H55C H 0.2705 1.0544 0.3168 0.209 Uiso 1 1 calc R
C56 C 0.3570(6) 0.9126(4) 0.3414(4) 0.100(2) Uani 1 1 d .
H56A H 0.3136 0.9156 0.3699 0.151 Uiso 1 1 calc R
H56B H 0.4280 0.9151 0.3609 0.151 Uiso 1 1 calc R
H56C H 0.3448 0.8700 0.3209 0.151 Uiso 1 1 calc R
C57 C 0.3069(5) 0.9574(4) 0.2431(3) 0.0837(19) Uani 1 1 d .
H57 H 0.3050 0.9124 0.2303 0.100 Uiso 1 1 calc 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'
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
O3 Mn1 O12 91.91(13) . .
O3 Mn1 O19 109.88(14) . .
O12 Mn1 O19 83.06(13) . .
O3 Mn1 N4 89.27(14) . .
O12 Mn1 N4 172.25(13) . .
O19 Mn1 N4 89.34(14) . .
O3 Mn1 O13 99.46(12) . .
O12 Mn1 O13 97.26(12) . .
O19 Mn1 O13 150.65(13) . .
N4 Mn1 O13 90.09(13) . .
O3 Mn1 O14 155.93(11) . .
O12 Mn1 O14 92.77(12) . .
O19 Mn1 O14 94.13(13) . .
N4 Mn1 O14 89.26(13) . .
O13 Mn1 O14 56.52(10) . .
O10 Mn2 O17 110.7(2) . .
O10 Mn2 O16 90.72(14) . .
O17 Mn2 O16 80.95(15) . .
O10 Mn2 N1 85.64(14) . .
O17 Mn2 N1 86.83(16) . .
O16 Mn2 N1 165.11(13) . .
O10 Mn2 O7 100.63(12) . .
O17 Mn2 O7 148.0(2) . .
O16 Mn2 O7 105.33(12) . .
N1 Mn2 O7 89.54(12) . .
O10 Mn2 O6 155.84(12) . .
O17 Mn2 O6 92.5(2) . .
O16 Mn2 O6 99.53(12) . .
N1 Mn2 O6 89.43(13) . .
O7 Mn2 O6 55.63(10) . .
O4 Mn3 O11 94.20(13) . .
O4 Mn3 O9 177.04(14) . .
O11 Mn3 O9 86.61(15) . .
O4 Mn3 O15 82.08(14) . .
O11 Mn3 O15 170.78(13) . .
O9 Mn3 O15 97.53(15) . .
O4 Mn3 O7 98.72(11) . .
O11 Mn3 O7 88.51(11) . .
O9 Mn3 O7 84.14(12) . .
O15 Mn3 O7 83.75(12) . .
O4 Mn3 O13 89.80(12) . .
O11 Mn3 O13 95.48(11) . .
O9 Mn3 O13 87.30(12) . .
O15 Mn3 O13 92.94(12) . .
O7 Mn3 O13 170.33(10) . .
C46 N1 C44 104.8(4) . .
C46 N1 Mn2 129.3(3) . .
C44 N1 Mn2 125.3(3) . .
C46 N2 C45 106.0(3) . .
C46 N2 C47 126.1(4) . .
C45 N2 C47 127.8(4) . .
C9 N3 C53 106.4(4) 1_565 .
C9 N3 C50 125.7(4) 1_565 .
C53 N3 C50 127.8(4) . .
C9 N4 C54 104.6(4) . 1_545
C9 N4 Mn1 126.4(3) . .
C54 N4 Mn1 128.7(3) 1_545 .
C57 N5 C55 119.3(7) . .
C57 N5 C56 122.1(6) . .
C55 N5 C56 118.6(7) . .
C16 O3 Mn1 129.8(3) . .
C16 O4 Mn3 133.0(3) . .
C20 O5 C23 116.2(3) . .
C33 O6 Mn2 89.8(2) . .
C33 O7 Mn3 132.2(2) . .
C33 O7 Mn2 94.5(2) . .
Mn3 O7 Mn2 107.08(11) . .
C27 O8 C25 119.3(4) . .
C34 O9 Mn3 143.8(3) . .
C34 O10 Mn2 124.8(3) . .
C15 O11 Mn3 140.0(3) . .
C15 O12 Mn1 126.9(3) . .
C1 O13 Mn3 139.9(2) . .
C1 O13 Mn1 94.1(2) . .
Mn3 O13 Mn1 104.73(12) . .
C1 O14 Mn1 90.2(2) . .
C38 O15 Mn3 147.1(3) . .
C38 O16 Mn2 118.1(3) . .
Mn2 O17 H17B 112.1 . .
Mn2 O17 H17C 112.3 . .
H17B O17 H17C 109.8 . .
C5 O18 C8 117.3(3) . .
Mn1 O19 H19 109.6 . .
Mn1 O19 H19B 128.6 . .
H19 O19 H19B 121.8 . .
O14 C1 O13 119.2(3) . .
O14 C1 C2 121.5(3) . .
O13 C1 C2 119.3(3) . .
C3 C2 C7 117.1(4) . .
C3 C2 C1 121.6(3) . .
C7 C2 C1 121.3(3) . .
C4 C3 C2 122.4(3) . .
C4 C3 H3 118.8 . .
C2 C3 H3 118.8 . .
C5 C4 C3 119.7(4) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
O18 C5 C4 125.3(4) . .
O18 C5 C6 115.3(4) . .
C4 C5 C6 119.4(4) . .
C7 C6 C5 120.5(4) . .
C7 C6 H6 119.8 . .
C5 C6 H6 119.8 . .
C6 C7 C2 120.9(4) . .
C6 C7 H7 119.5 . .
C2 C7 H7 119.5 . .
C10 C8 C14 121.5(4) 4_454 4_454
C10 C8 O18 119.8(4) 4_454 .
C14 C8 O18 118.6(4) 4_454 .
N4 C9 N3 112.5(4) . 1_545
N4 C9 H9 123.8 . .
N3 C9 H9 123.8 1_545 .
C8 C10 C11 119.5(4) 4 .
C8 C10 H10 120.2 4 .
C11 C10 H10 120.2 . .
C12 C11 C10 120.2(4) . .
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
C11 C12 C13 119.9(4) . .
C11 C12 C15 120.9(4) . .
C13 C12 C15 119.0(4) . .
C12 C13 C14 120.1(4) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C8 C14 C13 118.6(4) 4 .
C8 C14 H14 120.7 4 .
C13 C14 H14 120.7 . .
O12 C15 O11 125.8(4) . .
O12 C15 C12 117.0(3) . .
O11 C15 C12 117.1(3) . .
O4 C16 O3 125.3(4) . .
O4 C16 C17 117.5(4) . .
O3 C16 C17 117.2(3) . .
C22 C17 C18 118.0(3) . .
C22 C17 C16 120.3(4) . .
C18 C17 C16 121.6(3) . .
C19 C18 C17 121.2(4) . .
C19 C18 H18 119.4 . .
C17 C18 H18 119.4 . .
C18 C19 C20 120.3(4) . .
C18 C19 H19A 119.9 . .
C20 C19 H19A 119.9 . .
C21 C20 C19 119.6(4) . .
C21 C20 O5 123.7(4) . .
C19 C20 O5 116.7(4) . .
C20 C21 C22 119.9(4) . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
C17 C22 C21 120.9(4) . .
C17 C22 H22 119.5 . .
C21 C22 H22 119.5 . .
C42 C23 C41 121.5(4) 2 2
C42 C23 O5 118.7(4) 2 .
C41 C23 O5 119.8(5) 2 .
C25 C24 C35 119.2(5) . 4_455
C25 C24 H24 120.4 . .
C35 C24 H24 120.4 4_455 .
C24 C25 C26 120.8(4) . .
C24 C25 O8 118.6(5) . .
C26 C25 O8 120.5(5) . .
C25 C26 C37 120.1(5) . 4_455
C25 C26 H26 120.0 . .
C37 C26 H26 120.0 4_455 .
C28 C27 C32 120.9(4) . .
C28 C27 O8 124.2(4) . .
C32 C27 O8 114.8(4) . .
C27 C28 C29 118.9(4) . .
C27 C28 H28 120.6 . .
C29 C28 H28 120.6 . .
C30 C29 C28 121.1(4) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C29 C30 C31 119.2(4) . .
C29 C30 C33 121.9(4) . .
C31 C30 C33 118.8(3) . .
C32 C31 C30 120.2(3) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C31 C32 C27 119.7(4) . .
C31 C32 H32 120.2 . .
C27 C32 H32 120.2 . .
O6 C33 O7 120.1(4) . .
O6 C33 C30 120.0(3) . .
O7 C33 C30 119.9(3) . .
O10 C34 O9 125.8(4) . .
O10 C34 C36 118.3(4) . .
O9 C34 C36 115.9(4) . .
C36 C35 C24 120.8(4) . 4_554
C36 C35 H35 119.6 . .
C24 C35 H35 119.6 4_554 .
C35 C36 C37 119.1(4) . .
C35 C36 C34 118.8(4) . .
C37 C36 C34 122.2(4) . .
C36 C37 C26 119.9(5) . 4_554
C36 C37 H37 120.0 . .
C26 C37 H37 120.0 4_554 .
O16 C38 O15 125.0(4) . .
O16 C38 C39 119.8(4) . .
O15 C38 C39 115.1(4) . .
C40 C39 C43 118.4(4) . .
C40 C39 C38 121.5(4) . .
C43 C39 C38 119.8(4) . .
C39 C40 C41 120.5(4) . .
C39 C40 H40 119.8 . .
C41 C40 H40 119.8 . .
C23 C41 C40 119.1(5) 2_554 .
C23 C41 H41 120.4 2_554 .
C40 C41 H41 120.4 . .
C23 C42 C43 118.9(4) 2_554 .
C23 C42 H42 120.5 2_554 .
C43 C42 H42 120.5 . .
C42 C43 C39 121.5(4) . .
C42 C43 H43 119.3 . .
C39 C43 H43 119.3 . .
C45 C44 N1 110.5(4) . .
C45 C44 H44 124.7 . .
N1 C44 H44 124.7 . .
C44 C45 N2 106.3(4) . .
C44 C45 H45 126.9 . .
N2 C45 H45 126.9 . .
N1 C46 N2 112.3(4) . .
N1 C46 H46 123.8 . .
N2 C46 H46 123.8 . .
C48 C47 C52 120.4(4) . .
C48 C47 N2 120.3(4) . .
C52 C47 N2 119.4(3) . .
C49 C48 C47 119.4(4) . .
C49 C48 H48 120.3 . .
C47 C48 H48 120.3 . .
C50 C49 C48 120.0(4) . .
C50 C49 H49 120.0 . .
C48 C49 H49 120.0 . .
C51 C50 C49 120.5(4) . .
C51 C50 N3 119.5(4) . .
C49 C50 N3 120.0(4) . .
C50 C51 C52 120.7(4) . .
C50 C51 H51 119.7 . .
C52 C51 H51 119.7 . .
C51 C52 C47 119.0(4) . .
C51 C52 H52 120.5 . .
C47 C52 H52 120.5 . .
C54 C53 N3 105.7(4) . .
C54 C53 H53 127.2 . .
N3 C53 H53 127.2 . .
N4 C54 C53 110.9(4) 1_565 .
N4 C54 H54 124.6 1_565 .
C53 C54 H54 124.6 . .
N5 C55 H55A 109.5 . .
N5 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
N5 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
N5 C56 H56A 109.5 . .
N5 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
N5 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
O2 C57 N5 126.4(7) . .
O2 C57 H57 116.8 . .
N5 C57 H57 116.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 2.118(3) .
Mn1 O12 2.123(3) .
Mn1 O19 2.152(3) .
Mn1 N4 2.248(4) .
Mn1 O13 2.263(3) .
Mn1 O14 2.368(3) .
Mn2 O10 2.141(3) .
Mn2 O17 2.156(4) .
Mn2 O16 2.170(3) .
Mn2 N1 2.255(4) .
Mn2 O7 2.286(3) .
Mn2 O6 2.393(3) .
Mn3 O4 2.129(3) .
Mn3 O11 2.131(3) .
Mn3 O9 2.131(3) .
Mn3 O15 2.138(3) .
Mn3 O7 2.230(3) .
Mn3 O13 2.242(3) .
N1 C46 1.309(6) .
N1 C44 1.380(6) .
N2 C46 1.356(5) .
N2 C45 1.380(6) .
N2 C47 1.434(5) .
N3 C9 1.342(5) 1_565
N3 C53 1.368(6) .
N3 C50 1.454(5) .
N4 C9 1.316(6) .
N4 C54 1.353(6) 1_545
N5 C57 1.335(9) .
N5 C55 1.422(10) .
N5 C56 1.433(8) .
O2 C57 1.230(9) .
O3 C16 1.270(5) .
O4 C16 1.247(5) .
O5 C20 1.381(5) .
O5 C23 1.409(5) .
O6 C33 1.255(5) .
O7 C33 1.267(5) .
O8 C27 1.389(5) .
O8 C25 1.397(5) .
O9 C34 1.258(6) .
O10 C34 1.248(6) .
O11 C15 1.255(5) .
O12 C15 1.252(5) .
O13 C1 1.289(5) .
O14 C1 1.256(5) .
O15 C38 1.252(5) .
O16 C38 1.244(5) .
O17 H17B 0.8498 .
O17 H17C 0.8500 .
O18 C5 1.368(5) .
O18 C8 1.417(5) .
O19 H19 0.8202 .
O19 H19B 0.8927 .
C1 C2 1.472(6) .
C2 C3 1.387(5) .
C2 C7 1.424(6) .
C3 C4 1.380(6) .
C3 H3 0.9300 .
C4 C5 1.379(6) .
C4 H4 0.9300 .
C5 C6 1.408(6) .
C6 C7 1.361(6) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C10 1.362(7) 4_454
C8 C14 1.384(7) 4_454
C9 N3 1.342(5) 1_545
C9 H9 0.9300 .
C10 C8 1.362(7) 4
C10 C11 1.382(6) .
C10 H10 0.9300 .
C11 C12 1.375(6) .
C11 H11 0.9300 .
C12 C13 1.384(6) .
C12 C15 1.520(5) .
C13 C14 1.387(7) .
C13 H13 0.9300 .
C14 C8 1.384(7) 4
C14 H14 0.9300 .
C16 C17 1.503(5) .
C17 C22 1.383(6) .
C17 C18 1.383(6) .
C18 C19 1.375(6) .
C18 H18 0.9300 .
C19 C20 1.378(6) .
C19 H19A 0.9300 .
C20 C21 1.368(6) .
C21 C22 1.392(6) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C42 1.366(8) 2
C23 C41 1.367(7) 2
C24 C25 1.351(8) .
C24 C35 1.405(6) 4_455
C24 H24 0.9300 .
C25 C26 1.375(8) .
C26 C37 1.388(7) 4_455
C26 H26 0.9300 .
C27 C28 1.383(6) .
C27 C32 1.386(6) .
C28 C29 1.395(6) .
C28 H28 0.9300 .
C29 C30 1.369(6) .
C29 H29 0.9300 .
C30 C31 1.409(6) .
C30 C33 1.498(6) .
C31 C32 1.374(6) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C34 C36 1.505(5) .
C35 C36 1.370(6) .
C35 C24 1.405(6) 4_554
C35 H35 0.9300 .
C36 C37 1.384(6) .
C37 C26 1.388(7) 4_554
C37 H37 0.9300 .
C38 C39 1.509(6) .
C39 C40 1.380(6) .
C39 C43 1.388(6) .
C40 C41 1.395(7) .
C40 H40 0.9300 .
C41 C23 1.367(7) 2_554
C41 H41 0.9300 .
C42 C23 1.366(8) 2_554
C42 C43 1.375(7) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C44 C45 1.343(7) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C48 1.386(6) .
C47 C52 1.390(6) .
C48 C49 1.385(6) .
C48 H48 0.9300 .
C49 C50 1.374(6) .
C49 H49 0.9300 .
C50 C51 1.369(6) .
C51 C52 1.380(6) .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 C54 1.358(7) .
C53 H53 0.9300 .
C54 N4 1.353(6) 1_565
C54 H54 0.9300 .
C55 H55A 0.9600 .
C55 H55B 0.9600 .
C55 H55C 0.9600 .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C57 H57 0.9300 .
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
O10 Mn2 N1 C46 127.6(4) . .
O17 Mn2 N1 C46 16.5(4) . .
O16 Mn2 N1 C46 51.3(7) . .
O7 Mn2 N1 C46 -131.7(4) . .
O6 Mn2 N1 C46 -76.1(4) . .
O10 Mn2 N1 C44 -42.8(4) . .
O17 Mn2 N1 C44 -153.9(5) . .
O16 Mn2 N1 C44 -119.1(6) . .
O7 Mn2 N1 C44 57.9(4) . .
O6 Mn2 N1 C44 113.5(4) . .
O3 Mn1 N4 C9 -119.6(4) . .
O12 Mn1 N4 C9 -20.8(13) . .
O19 Mn1 N4 C9 -9.7(4) . .
O13 Mn1 N4 C9 140.9(4) . .
O14 Mn1 N4 C9 84.4(4) . .
O3 Mn1 N4 C54 53.4(5) . 1_545
O12 Mn1 N4 C54 152.2(9) . 1_545
O19 Mn1 N4 C54 163.3(5) . 1_545
O13 Mn1 N4 C54 -46.0(5) . 1_545
O14 Mn1 N4 C54 -102.5(5) . 1_545
O12 Mn1 O3 C16 106.4(3) . .
O19 Mn1 O3 C16 -170.3(3) . .
N4 Mn1 O3 C16 -81.3(3) . .
O13 Mn1 O3 C16 8.7(4) . .
O14 Mn1 O3 C16 5.3(5) . .
O11 Mn3 O4 C16 -37.1(4) . .
O9 Mn3 O4 C16 69(3) . .
O15 Mn3 O4 C16 151.4(4) . .
O7 Mn3 O4 C16 -126.2(4) . .
O13 Mn3 O4 C16 58.4(4) . .
O10 Mn2 O6 C33 -12.7(4) . .
O17 Mn2 O6 C33 -177.5(2) . .
O16 Mn2 O6 C33 101.2(2) . .
N1 Mn2 O6 C33 -90.7(2) . .
O7 Mn2 O6 C33 -0.9(2) . .
O4 Mn3 O7 C33 -13.5(4) . .
O11 Mn3 O7 C33 -107.5(4) . .
O9 Mn3 O7 C33 165.7(4) . .
O15 Mn3 O7 C33 67.5(4) . .
O13 Mn3 O7 C33 137.9(6) . .
O4 Mn3 O7 Mn2 -126.35(12) . .
O11 Mn3 O7 Mn2 139.63(13) . .
O9 Mn3 O7 Mn2 52.88(14) . .
O15 Mn3 O7 Mn2 -45.38(13) . .
O13 Mn3 O7 Mn2 25.0(7) . .
O10 Mn2 O7 C33 176.0(2) . .
O17 Mn2 O7 C33 7.3(4) . .
O16 Mn2 O7 C33 -90.3(2) . .
N1 Mn2 O7 C33 90.5(2) . .
O6 Mn2 O7 C33 0.9(2) . .
O10 Mn2 O7 Mn3 -47.23(14) . .
O17 Mn2 O7 Mn3 144.0(2) . .
O16 Mn2 O7 Mn3 46.48(14) . .
N1 Mn2 O7 Mn3 -132.71(14) . .
O6 Mn2 O7 Mn3 137.67(15) . .
O4 Mn3 O9 C34 107(3) . .
O11 Mn3 O9 C34 -147.4(5) . .
O15 Mn3 O9 C34 24.4(5) . .
O7 Mn3 O9 C34 -58.5(5) . .
O13 Mn3 O9 C34 117.0(5) . .
O17 Mn2 O10 C34 -177.1(3) . .
O16 Mn2 O10 C34 -96.5(4) . .
N1 Mn2 O10 C34 98.0(4) . .
O7 Mn2 O10 C34 9.3(4) . .
O6 Mn2 O10 C34 19.2(5) . .
O4 Mn3 O11 C15 90.6(5) . .
O9 Mn3 O11 C15 -86.5(5) . .
O15 Mn3 O11 C15 156.4(7) . .
O7 Mn3 O11 C15 -170.7(4) . .
O13 Mn3 O11 C15 0.4(5) . .
O3 Mn1 O12 C15 -53.0(3) . .
O19 Mn1 O12 C15 -162.8(4) . .
N4 Mn1 O12 C15 -151.6(9) . .
O13 Mn1 O12 C15 46.8(3) . .
O14 Mn1 O12 C15 103.4(3) . .
O4 Mn3 O13 C1 -171.0(4) . .
O11 Mn3 O13 C1 -76.8(4) . .
O9 Mn3 O13 C1 9.5(4) . .
O15 Mn3 O13 C1 106.9(4) . .
O7 Mn3 O13 C1 37.2(9) . .
O4 Mn3 O13 Mn1 -55.81(13) . .
O11 Mn3 O13 Mn1 38.39(13) . .
O9 Mn3 O13 Mn1 124.72(14) . .
O15 Mn3 O13 Mn1 -137.87(13) . .
O7 Mn3 O13 Mn1 152.4(6) . .
O3 Mn1 O13 C1 -176.9(2) . .
O12 Mn1 O13 C1 89.9(2) . .
O19 Mn1 O13 C1 1.1(4) . .
N4 Mn1 O13 C1 -87.7(2) . .
O14 Mn1 O13 C1 1.4(2) . .
O3 Mn1 O13 Mn3 38.80(14) . .
O12 Mn1 O13 Mn3 -54.37(13) . .
O19 Mn1 O13 Mn3 -143.1(2) . .
N4 Mn1 O13 Mn3 128.07(14) . .
O14 Mn1 O13 Mn3 -142.88(16) . .
O3 Mn1 O14 C1 2.6(4) . .
O12 Mn1 O14 C1 -98.3(2) . .
O19 Mn1 O14 C1 178.5(2) . .
N4 Mn1 O14 C1 89.2(2) . .
O13 Mn1 O14 C1 -1.4(2) . .
O4 Mn3 O15 C38 169.1(6) . .
O11 Mn3 O15 C38 102.4(10) . .
O9 Mn3 O15 C38 -13.9(6) . .
O7 Mn3 O15 C38 69.4(5) . .
O13 Mn3 O15 C38 -101.5(5) . .
O10 Mn2 O16 C38 75.6(3) . .
O17 Mn2 O16 C38 -173.5(4) . .
N1 Mn2 O16 C38 151.3(5) . .
O7 Mn2 O16 C38 -25.6(3) . .
O6 Mn2 O16 C38 -82.4(3) . .
Mn1 O14 C1 O13 2.4(3) . .
Mn1 O14 C1 C2 -175.9(3) . .
Mn3 O13 C1 O14 116.2(4) . .
Mn1 O13 C1 O14 -2.5(4) . .
Mn3 O13 C1 C2 -65.5(5) . .
Mn1 O13 C1 C2 175.8(3) . .
O14 C1 C2 C3 178.4(4) . .
O13 C1 C2 C3 0.1(6) . .
O14 C1 C2 C7 -4.5(6) . .
O13 C1 C2 C7 177.2(4) . .
C7 C2 C3 C4 -1.2(6) . .
C1 C2 C3 C4 176.0(4) . .
C2 C3 C4 C5 0.4(6) . .
C8 O18 C5 C4 -1.1(7) . .
C8 O18 C5 C6 179.2(4) . .
C3 C4 C5 O18 -178.3(4) . .
C3 C4 C5 C6 1.4(7) . .
O18 C5 C6 C7 177.4(5) . .
C4 C5 C6 C7 -2.4(7) . .
C5 C6 C7 C2 1.5(8) . .
C3 C2 C7 C6 0.2(7) . .
C1 C2 C7 C6 -177.0(4) . .
C5 O18 C8 C10 92.1(5) . 4_454
C5 O18 C8 C14 -91.1(5) . 4_454
C54 N4 C9 N3 0.9(6) 1_545 1_545
Mn1 N4 C9 N3 175.3(3) . 1_545
C8 C10 C11 C12 0.8(7) 4 .
C10 C11 C12 C13 -2.0(7) . .
C10 C11 C12 C15 173.5(4) . .
C11 C12 C13 C14 3.0(7) . .
C15 C12 C13 C14 -172.7(4) . .
C12 C13 C14 C8 -2.7(7) . 4
Mn1 O12 C15 O11 -8.2(6) . .
Mn1 O12 C15 C12 173.3(3) . .
Mn3 O11 C15 O12 -22.4(7) . .
Mn3 O11 C15 C12 156.1(3) . .
C11 C12 C15 O12 -12.5(6) . .
C13 C12 C15 O12 163.1(4) . .
C11 C12 C15 O11 168.8(4) . .
C13 C12 C15 O11 -15.6(6) . .
Mn3 O4 C16 O3 -13.2(6) . .
Mn3 O4 C16 C17 166.5(3) . .
Mn1 O3 C16 O4 -29.1(6) . .
Mn1 O3 C16 C17 151.2(3) . .
O4 C16 C17 C22 -180.0(4) . .
O3 C16 C17 C22 -0.2(6) . .
O4 C16 C17 C18 3.6(6) . .
O3 C16 C17 C18 -176.7(4) . .
C22 C17 C18 C19 -1.4(7) . .
C16 C17 C18 C19 175.2(4) . .
C17 C18 C19 C20 -0.2(8) . .
C18 C19 C20 C21 2.8(8) . .
C18 C19 C20 O5 -179.0(5) . .
C23 O5 C20 C21 -0.4(7) . .
C23 O5 C20 C19 -178.6(5) . .
C19 C20 C21 C22 -3.7(8) . .
O5 C20 C21 C22 178.1(5) . .
C18 C17 C22 C21 0.4(7) . .
C16 C17 C22 C21 -176.2(4) . .
C20 C21 C22 C17 2.2(8) . .
C20 O5 C23 C42 89.8(5) . 2
C20 O5 C23 C41 -92.2(5) . 2
C35 C24 C25 C26 -0.3(7) 4_455 .
C35 C24 C25 O8 -177.7(4) 4_455 .
C27 O8 C25 C24 -107.4(6) . .
C27 O8 C25 C26 75.2(7) . .
C24 C25 C26 C37 0.4(8) . 4_455
O8 C25 C26 C37 177.7(5) . 4_455
C25 O8 C27 C28 3.0(8) . .
C25 O8 C27 C32 -178.1(5) . .
C32 C27 C28 C29 0.6(8) . .
O8 C27 C28 C29 179.5(5) . .
C27 C28 C29 C30 0.8(7) . .
C28 C29 C30 C31 -1.0(7) . .
C28 C29 C30 C33 177.4(4) . .
C29 C30 C31 C32 -0.1(6) . .
C33 C30 C31 C32 -178.5(4) . .
C30 C31 C32 C27 1.4(7) . .
C28 C27 C32 C31 -1.6(8) . .
O8 C27 C32 C31 179.4(4) . .
Mn2 O6 C33 O7 1.6(3) . .
Mn2 O6 C33 C30 -178.3(3) . .
Mn3 O7 C33 O6 -119.6(3) . .
Mn2 O7 C33 O6 -1.6(4) . .
Mn3 O7 C33 C30 60.3(5) . .
Mn2 O7 C33 C30 178.3(3) . .
C29 C30 C33 O6 14.6(6) . .
C31 C30 C33 O6 -167.1(4) . .
C29 C30 C33 O7 -165.3(4) . .
C31 C30 C33 O7 13.0(5) . .
Mn2 O10 C34 O9 10.6(6) . .
Mn2 O10 C34 C36 -167.5(3) . .
Mn3 O9 C34 O10 22.2(8) . .
Mn3 O9 C34 C36 -159.7(4) . .
C24 C35 C36 C37 -0.2(7) 4_554 .
C24 C35 C36 C34 179.5(4) 4_554 .
O10 C34 C36 C35 -177.8(4) . .
O9 C34 C36 C35 3.9(6) . .
O10 C34 C36 C37 1.9(6) . .
O9 C34 C36 C37 -176.4(4) . .
C35 C36 C37 C26 0.1(7) . 4_554
C34 C36 C37 C26 -179.6(4) . 4_554
Mn2 O16 C38 O15 18.0(5) . .
Mn2 O16 C38 C39 -160.9(3) . .
Mn3 O15 C38 O16 -53.9(7) . .
Mn3 O15 C38 C39 125.1(5) . .
O16 C38 C39 C40 12.9(6) . .
O15 C38 C39 C40 -166.1(4) . .
O16 C38 C39 C43 -173.6(4) . .
O15 C38 C39 C43 7.4(5) . .
C43 C39 C40 C41 -1.1(7) . .
C38 C39 C40 C41 172.5(4) . .
C39 C40 C41 C23 -0.2(7) . 2_554
C23 C42 C43 C39 2.1(7) 2_554 .
C40 C39 C43 C42 0.2(7) . .
C38 C39 C43 C42 -173.5(4) . .
C46 N1 C44 C45 -1.2(7) . .
Mn2 N1 C44 C45 171.1(4) . .
N1 C44 C45 N2 1.0(7) . .
C46 N2 C45 C44 -0.4(6) . .
C47 N2 C45 C44 -178.4(5) . .
C44 N1 C46 N2 0.9(6) . .
Mn2 N1 C46 N2 -171.0(3) . .
C45 N2 C46 N1 -0.3(5) . .
C47 N2 C46 N1 177.7(4) . .
C46 N2 C47 C48 -148.7(5) . .
C45 N2 C47 C48 28.9(7) . .
C46 N2 C47 C52 30.7(6) . .
C45 N2 C47 C52 -151.8(5) . .
C52 C47 C48 C49 -0.2(8) . .
N2 C47 C48 C49 179.1(5) . .
C47 C48 C49 C50 -1.2(8) . .
C48 C49 C50 C51 1.4(8) . .
C48 C49 C50 N3 -178.9(5) . .
C9 N3 C50 C51 143.5(5) 1_565 .
C53 N3 C50 C51 -33.1(8) . .
C9 N3 C50 C49 -36.2(7) 1_565 .
C53 N3 C50 C49 147.2(6) . .
C49 C50 C51 C52 -0.3(7) . .
N3 C50 C51 C52 -180.0(4) . .
C50 C51 C52 C47 -1.1(7) . .
C48 C47 C52 C51 1.3(7) . .
N2 C47 C52 C51 -178.0(4) . .
C9 N3 C53 C54 -0.8(7) 1_565 .
C50 N3 C53 C54 176.4(5) . .
N3 C53 C54 N4 1.4(8) . 1_565
C55 N5 C57 O2 -0.2(12) . .
C56 N5 C57 O2 178.5(7) . .
