#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:36:37 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180441 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/10/7211092.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_7211092
loop_
_publ_author_name
'Ma, Yun-Sheng'
'Cai, Wang-Shui'
'Chen, Bin'
'Chang, Jian-Yu'
'Tang, Xiao-Yan'
'Yuan, Rong-Xin'
_publ_section_title
;
 Four coordination clusters using fluorenyl and carbazyl phosphonates as
 ligands
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              7615
_journal_paper_doi               10.1039/c3ce41212a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety
;
C86 H65 Mn5 N6 O20 P2, C7 H6 O2, 6(C2 H3 N), 0.1(H4 O2), 1.8(H2 O)
;
_chemical_formula_sum            'C105 H93 Mn5 N12 O24 P2'
_chemical_formula_weight         2243.55
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 100.5490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.705(3)
_cell_length_b                   23.209(2)
_cell_length_c                   29.898(3)
_cell_measurement_temperature    291(2)
_cell_volume                     22311(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL/PC (Sheldrick, 1999)'
_computing_publication_material  'Bruker SHELXTL/PC and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_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  0.0646
_diffrn_reflns_av_sigmaI/netI    0.0941
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            58166
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    0.653
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku, 2005)'
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9232
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.322
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1385
_refine_ls_number_reflns         21254
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0633
_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)+(0.0742P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1387
_refine_ls_wR_factor_ref         0.1465
_reflns_number_gt                13541
_reflns_number_total             21254
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41212a.txt
_cod_data_source_block           mn5--111205c
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        22310(4)
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7211092
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'
'-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
C1 C 0.08051(12) 0.44930(17) 0.76856(14) 0.0365(9) Uani 1 1 d .
C2 C 0.05006(12) 0.43239(18) 0.73278(14) 0.0391(9) Uani 1 1 d .
C3 C 0.02578(12) 0.47540(19) 0.70888(13) 0.0403(9) Uani 1 1 d .
H3 H 0.0306 0.5142 0.7155 0.048 Uiso 1 1 calc R
C4 C -0.00294(13) 0.4590(2) 0.67790(15) 0.0469(10) Uani 1 1 d .
H4 H -0.0189 0.4883 0.6622 0.056 Uiso 1 1 calc R
C5 C -0.01480(13) 0.4027(2) 0.66319(14) 0.0464(10) Uani 1 1 d .
H5 H -0.0373 0.3947 0.6401 0.056 Uiso 1 1 calc R
C6 C 0.01024(13) 0.36090(19) 0.68637(14) 0.0439(10) Uani 1 1 d .
H6 H 0.0052 0.3225 0.6785 0.053 Uiso 1 1 calc R
C7 C 0.04300(12) 0.37468(18) 0.72143(14) 0.0400(9) Uani 1 1 d .
H7 H 0.0598 0.3460 0.7369 0.048 Uiso 1 1 calc R
C8 C 0.22381(14) 0.36417(18) 0.82445(13) 0.0418(10) Uani 1 1 d .
C9 C 0.24770(14) 0.31683(18) 0.80520(14) 0.0444(10) Uani 1 1 d .
C10 C 0.22697(15) 0.2691(2) 0.78376(14) 0.0501(11) Uani 1 1 d .
H10 H 0.1982 0.2663 0.7809 0.060 Uiso 1 1 calc R
C11 C 0.24921(15) 0.22504(18) 0.76641(15) 0.0472(11) Uani 1 1 d .
H11 H 0.2358 0.1929 0.7519 0.057 Uiso 1 1 calc R
C12 C 0.29143(15) 0.2315(2) 0.77176(16) 0.0523(12) Uani 1 1 d .
H12 H 0.3064 0.2020 0.7611 0.063 Uiso 1 1 calc R
C13 C 0.31299(16) 0.2771(2) 0.79111(17) 0.0556(12) Uani 1 1 d .
H13 H 0.3417 0.2794 0.7933 0.067 Uiso 1 1 calc R
C14 C 0.29017(16) 0.3220(2) 0.80828(17) 0.0548(12) Uani 1 1 d .
H14 H 0.3039 0.3546 0.8215 0.066 Uiso 1 1 calc R
C15 C 0.25294(13) 0.54883(19) 0.79200(14) 0.0444(10) Uani 1 1 d .
C16 C 0.29087(13) 0.52405(19) 0.77734(15) 0.0466(10) Uani 1 1 d .
C17 C 0.29871(16) 0.5394(2) 0.73499(17) 0.0590(13) Uani 1 1 d .
H17 H 0.2811 0.5646 0.7165 0.071 Uiso 1 1 calc R
C18 C 0.33396(16) 0.5163(2) 0.72040(18) 0.0632(14) Uani 1 1 d .
H18 H 0.3397 0.5257 0.6920 0.076 Uiso 1 1 calc R
C19 C 0.35985(16) 0.4793(2) 0.74895(18) 0.0593(13) Uani 1 1 d .
H19 H 0.3841 0.4657 0.7405 0.071 Uiso 1 1 calc R
C20 C 0.35047(15) 0.4635(2) 0.78751(16) 0.0540(12) Uani 1 1 d .
H20 H 0.3671 0.4364 0.8051 0.065 Uiso 1 1 calc R
C21 C 0.31615(15) 0.48590(19) 0.80354(16) 0.0523(11) Uani 1 1 d .
H21 H 0.3107 0.4748 0.8318 0.063 Uiso 1 1 calc R
C22 C 0.08457(12) 0.63727(16) 0.85919(13) 0.0359(9) Uani 1 1 d .
C23 C 0.04287(13) 0.66774(17) 0.84975(14) 0.0400(9) Uani 1 1 d .
C24 C 0.01295(13) 0.65257(19) 0.81261(14) 0.0458(10) Uani 1 1 d .
H24 H 0.0182 0.6231 0.7933 0.055 Uiso 1 1 calc R
C25 C -0.02470(14) 0.68134(19) 0.80423(16) 0.0484(11) Uani 1 1 d .
H25 H -0.0450 0.6706 0.7796 0.058 Uiso 1 1 calc R
C26 C -0.03250(14) 0.7271(2) 0.83299(16) 0.0507(11) Uani 1 1 d .
H26 H -0.0573 0.7477 0.8265 0.061 Uiso 1 1 calc R
C27 C -0.00418(14) 0.7404(2) 0.86917(16) 0.0518(11) Uani 1 1 d .
H27 H -0.0099 0.7695 0.8885 0.062 Uiso 1 1 calc R
C28 C 0.03460(13) 0.7115(2) 0.87922(14) 0.0462(10) Uani 1 1 d .
H28 H 0.0541 0.7213 0.9048 0.055 Uiso 1 1 calc R
C29 C 0.12241(11) 0.32700(16) 0.91343(13) 0.0340(8) Uani 1 1 d .
C30 C 0.08810(11) 0.28753(15) 0.92239(14) 0.0342(8) Uani 1 1 d .
C31 C 0.06073(11) 0.26393(16) 0.88440(15) 0.0406(10) Uani 1 1 d .
H31 H 0.0643 0.2715 0.8548 0.049 Uiso 1 1 calc R
C32 C 0.02843(14) 0.22901(19) 0.89308(16) 0.0510(11) Uani 1 1 d .
H32 H 0.0101 0.2129 0.8689 0.061 Uiso 1 1 calc R
C33 C 0.02312(13) 0.21770(17) 0.93801(17) 0.0480(11) Uani 1 1 d .
H33 H 0.0012 0.1947 0.9432 0.058 Uiso 1 1 calc R
C34 C 0.05073(13) 0.24107(18) 0.97455(16) 0.0480(11) Uani 1 1 d .
H34 H 0.0476 0.2334 1.0043 0.058 Uiso 1 1 calc R
C35 C 0.08300(13) 0.27593(17) 0.96620(15) 0.0415(10) Uani 1 1 d .
H35 H 0.1014 0.2917 0.9905 0.050 Uiso 1 1 calc R
C36 C 0.05828(11) 0.50025(18) 0.93957(12) 0.0351(8) Uani 1 1 d .
H36A H 0.0436 0.5302 0.9204 0.042 Uiso 1 1 calc R
H36B H 0.0443 0.4640 0.9308 0.042 Uiso 1 1 calc R
C37 C 0.05415(12) 0.56608(16) 1.00604(13) 0.0367(9) Uani 1 1 d .
C38 C 0.05370(12) 0.61958(18) 0.98538(15) 0.0414(9) Uani 1 1 d .
H38 H 0.0557 0.6235 0.9549 0.050 Uiso 1 1 calc R
C39 C 0.05006(13) 0.6675(2) 1.01313(17) 0.0500(11) Uani 1 1 d .
H39 H 0.0490 0.7043 1.0006 0.060 Uiso 1 1 calc R
C40 C 0.04797(14) 0.66084(19) 1.05981(16) 0.0488(11) Uani 1 1 d .
H40 H 0.0449 0.6932 1.0773 0.059 Uiso 1 1 calc R
C41 C 0.05040(13) 0.60670(18) 1.07958(16) 0.0456(10) Uani 1 1 d .
H41 H 0.0504 0.6025 1.1105 0.055 Uiso 1 1 calc R
C42 C 0.05279(12) 0.55849(17) 1.05225(13) 0.0366(9) Uani 1 1 d .
C43 C 0.05311(12) 0.49736(18) 1.06041(14) 0.0398(9) Uani 1 1 d .
C44 C 0.05124(13) 0.4637(2) 1.09957(16) 0.0503(11) Uani 1 1 d .
H44 H 0.0508 0.4813 1.1274 0.060 Uiso 1 1 calc R
C45 C 0.05012(12) 0.4037(2) 1.09571(15) 0.0446(10) Uani 1 1 d .
H45 H 0.0488 0.3810 1.1210 0.054 Uiso 1 1 calc R
C46 C 0.05092(12) 0.3781(2) 1.05399(15) 0.0469(10) Uani 1 1 d .
H46 H 0.0502 0.3382 1.0519 0.056 Uiso 1 1 calc R
C47 C 0.05280(12) 0.41036(17) 1.01468(14) 0.0389(9) Uani 1 1 d .
H47 H 0.0531 0.3926 0.9869 0.047 Uiso 1 1 calc R
C48 C 0.05418(11) 0.46973(16) 1.01918(13) 0.0353(8) Uani 1 1 d .
C49 C 0.30029(11) 0.53655(17) 0.99870(14) 0.0384(9) Uani 1 1 d .
H49A H 0.3144 0.5663 0.9846 0.046 Uiso 1 1 calc R
H49B H 0.2975 0.5502 1.0286 0.046 Uiso 1 1 calc R
C50 C 0.33236(14) 0.44815(19) 1.04115(15) 0.0471(10) Uani 1 1 d .
C51 C 0.31094(14) 0.44660(17) 1.07781(13) 0.0421(10) Uani 1 1 d .
H51 H 0.2889 0.4714 1.0794 0.050 Uiso 1 1 calc R
C52 C 0.32463(14) 0.40523(18) 1.11224(14) 0.0457(10) Uani 1 1 d .
H52 H 0.3110 0.4021 1.1369 0.055 Uiso 1 1 calc R
C53 C 0.35807(14) 0.3693(2) 1.10966(16) 0.0517(11) Uani 1 1 d .
H53 H 0.3666 0.3430 1.1329 0.062 Uiso 1 1 calc R
C54 C 0.37927(14) 0.37151(19) 1.07346(15) 0.0483(11) Uani 1 1 d .
H54 H 0.4014 0.3467 1.0723 0.058 Uiso 1 1 calc R
C55 C 0.36676(13) 0.41154(18) 1.03905(14) 0.0429(10) Uani 1 1 d .
C56 C 0.38095(14) 0.42545(18) 0.99700(15) 0.0460(10) Uani 1 1 d .
C57 C 0.41160(14) 0.40374(19) 0.97613(16) 0.0500(11) Uani 1 1 d .
H57 H 0.4283 0.3735 0.9892 0.060 Uiso 1 1 calc R
C58 C 0.41734(15) 0.42730(19) 0.93561(17) 0.0546(12) Uani 1 1 d .
H58 H 0.4379 0.4127 0.9211 0.066 Uiso 1 1 calc R
C59 C 0.39180(15) 0.4743(2) 0.91550(17) 0.0555(12) Uani 1 1 d .
H59 H 0.3967 0.4908 0.8886 0.067 Uiso 1 1 calc R
C60 C 0.36073(14) 0.49486(19) 0.93541(15) 0.0477(10) Uani 1 1 d .
H60 H 0.3434 0.5242 0.9219 0.057 Uiso 1 1 calc R
C61 C 0.35525(13) 0.47074(17) 0.97697(14) 0.0403(9) Uani 1 1 d .
C62 C 0.21202(13) 0.69097(18) 0.86456(13) 0.0419(9) Uani 1 1 d .
H62 H 0.2107 0.6614 0.8433 0.050 Uiso 1 1 calc R
C63 C 0.22999(14) 0.74354(19) 0.85616(15) 0.0475(10) Uani 1 1 d .
H63 H 0.2397 0.7491 0.8291 0.057 Uiso 1 1 calc R
C64 C 0.23343(14) 0.7874(2) 0.88802(15) 0.0480(10) Uani 1 1 d .
H64 H 0.2457 0.8223 0.8827 0.058 Uiso 1 1 calc R
C65 C 0.21803(12) 0.77855(17) 0.92889(15) 0.0420(10) Uani 1 1 d .
C66 C 0.22226(14) 0.81972(18) 0.96532(15) 0.0457(10) Uani 1 1 d .
H66 H 0.2354 0.8547 0.9627 0.055 Uiso 1 1 calc R
C67 C 0.20696(14) 0.80763(19) 1.00396(15) 0.0478(11) Uani 1 1 d .
H67 H 0.2097 0.8346 1.0274 0.057 Uiso 1 1 calc R
C68 C 0.18712(13) 0.75456(18) 1.00843(14) 0.0418(9) Uani 1 1 d .
C69 C 0.17187(12) 0.73871(18) 1.04813(14) 0.0407(9) Uani 1 1 d .
H69 H 0.1728 0.7649 1.0719 0.049 Uiso 1 1 calc R
C70 C 0.15548(14) 0.68374(19) 1.05144(16) 0.0498(11) Uani 1 1 d .
H70 H 0.1467 0.6722 1.0779 0.060 Uiso 1 1 calc R
C71 C 0.15243(12) 0.6462(2) 1.01433(14) 0.0416(9) Uani 1 1 d .
H71 H 0.1403 0.6102 1.0162 0.050 Uiso 1 1 calc R
C72 C 0.18308(12) 0.71272(16) 0.97381(13) 0.0365(8) Uani 1 1 d .
C73 C 0.19882(12) 0.72537(16) 0.93355(14) 0.0378(9) Uani 1 1 d .
C74 C 0.15824(12) 0.40124(18) 1.05172(13) 0.0385(9) Uani 1 1 d .
H74 H 0.1360 0.4252 1.0403 0.046 Uiso 1 1 calc R
C75 C 0.16257(13) 0.37854(18) 1.09635(15) 0.0447(10) Uani 1 1 d .
H75 H 0.1439 0.3903 1.1146 0.054 Uiso 1 1 calc R
C76 C 0.19327(14) 0.33977(18) 1.11377(14) 0.0443(10) Uani 1 1 d .
H76 H 0.1945 0.3233 1.1423 0.053 Uiso 1 1 calc R
C77 C 0.22297(14) 0.32615(19) 1.08611(15) 0.0468(10) Uani 1 1 d .
C78 C 0.25704(14) 0.2866(2) 1.09902(16) 0.0528(11) Uani 1 1 d .
H78 H 0.2597 0.2678 1.1269 0.063 Uiso 1 1 calc R
C79 C 0.28457(14) 0.27596(19) 1.07283(16) 0.0508(11) Uani 1 1 d .
H79 H 0.3066 0.2510 1.0830 0.061 Uiso 1 1 calc R
C80 C 0.28096(12) 0.30240(17) 1.02883(14) 0.0383(9) Uani 1 1 d .
C81 C 0.30968(13) 0.29492(19) 0.99907(15) 0.0460(10) Uani 1 1 d .
H81 H 0.3326 0.2708 1.0072 0.055 Uiso 1 1 calc R
C82 C 0.30328(12) 0.32391(19) 0.95767(15) 0.0439(10) Uani 1 1 d .
H82 H 0.3225 0.3202 0.9384 0.053 Uiso 1 1 calc R
C83 C 0.26806(12) 0.35866(17) 0.94481(14) 0.0383(9) Uani 1 1 d .
H83 H 0.2638 0.3769 0.9166 0.046 Uiso 1 1 calc R
C84 C 0.24750(11) 0.33929(15) 1.01393(13) 0.0329(8) Uani 1 1 d .
C85 C 0.21795(11) 0.35011(15) 1.04285(13) 0.0328(8) Uani 1 1 d .
C86 C 0.12904(17) 0.5972(2) 0.72729(16) 0.0595(13) Uani 1 1 d .
H86A H 0.1253 0.5598 0.7135 0.089 Uiso 1 1 calc R
H86B H 0.1448 0.6210 0.7104 0.089 Uiso 1 1 calc R
H86C H 0.1024 0.6146 0.7272 0.089 Uiso 1 1 calc R
C93 C 0.21545(13) 0.45201(16) 0.58933(14) 0.0379(9) Uani 1 1 d .
C94 C 0.19889(14) 0.44562(19) 0.63280(14) 0.0436(10) Uani 1 1 d .
C95 C 0.15759(14) 0.45650(18) 0.63334(15) 0.0450(10) Uani 1 1 d .
H95 H 0.1395 0.4671 0.6069 0.054 Uiso 1 1 calc R
C96 C 0.14330(15) 0.4511(2) 0.67496(15) 0.0518(12) Uani 1 1 d .
H96 H 0.1155 0.4579 0.6761 0.062 Uiso 1 1 calc R
C97 C 0.17112(15) 0.4357(2) 0.71446(16) 0.0516(11) Uani 1 1 d .
H97 H 0.1618 0.4318 0.7419 0.062 Uiso 1 1 calc R
C98 C 0.21203(16) 0.4263(2) 0.71273(16) 0.0613(13) Uani 1 1 d .
H98 H 0.2306 0.4178 0.7394 0.074 Uiso 1 1 calc R
C99 C 0.22656(14) 0.42936(18) 0.67140(14) 0.0442(10) Uani 1 1 d .
H99 H 0.2541 0.4206 0.6700 0.053 Uiso 1 1 calc R
C100 C 0.40753(16) 0.3591(2) 0.48974(18) 0.0644(14) Uani 1 1 d .
H10A H 0.3893 0.3623 0.5114 0.097 Uiso 1 1 calc R
H10B H 0.3990 0.3272 0.4697 0.097 Uiso 1 1 calc R
H10C H 0.4064 0.3940 0.4723 0.097 Uiso 1 1 calc R
C101 C 0.44920(16) 0.3498(2) 0.51337(18) 0.0595(13) Uani 1 1 d .
C102 C 0.15846(17) 0.8983(2) 0.87233(17) 0.0623(13) Uani 1 1 d .
H10D H 0.1868 0.8879 0.8843 0.093 Uiso 1 1 calc R
H10E H 0.1541 0.9380 0.8789 0.093 Uiso 1 1 calc R
H10F H 0.1528 0.8925 0.8400 0.093 Uiso 1 1 calc R
C103 C 0.13138(15) 0.8633(2) 0.89268(18) 0.0580(12) Uani 1 1 d .
C104 C 0.37508(16) 0.7938(2) 0.81228(18) 0.0609(13) Uani 1 1 d .
H10G H 0.3862 0.8171 0.8382 0.091 Uiso 1 1 calc R
H10H H 0.3603 0.8179 0.7886 0.091 Uiso 1 1 calc R
H10I H 0.3974 0.7746 0.8015 0.091 Uiso 1 1 calc R
C105 C 0.34732(16) 0.7519(2) 0.82503(16) 0.0561(12) Uani 1 1 d .
C106 C 0.53496(17) 0.4996(2) 0.93881(18) 0.0679(15) Uani 1 1 d .
H10J H 0.5476 0.4932 0.9127 0.102 Uiso 1 1 calc R
H10K H 0.5192 0.4662 0.9441 0.102 Uiso 1 1 calc R
H10L H 0.5562 0.5067 0.9649 0.102 Uiso 1 1 calc R
C107 C 0.50786(17) 0.5486(2) 0.93084(18) 0.0576(12) Uani 1 1 d .
C108 C 0.53888(16) 0.5794(2) 0.81226(18) 0.0612(13) Uani 1 1 d .
H10M H 0.5400 0.6065 0.8367 0.092 Uiso 1 1 calc R
H10N H 0.5104 0.5697 0.8004 0.092 Uiso 1 1 calc R
H10O H 0.5512 0.5963 0.7886 0.092 Uiso 1 1 calc R
C109 C 0.56110(18) 0.5288(3) 0.8286(2) 0.0678(15) Uani 1 1 d .
C110 C 0.38673(13) 0.24066(19) 0.70770(15) 0.0465(11) Uani 1 1 d .
H11A H 0.3851 0.2193 0.7348 0.070 Uiso 1 1 calc R
H11B H 0.4038 0.2201 0.6901 0.070 Uiso 1 1 calc R
H11C H 0.3593 0.2454 0.6900 0.070 Uiso 1 1 calc R
C111 C 0.40449(17) 0.2957(2) 0.71980(18) 0.0649(14) Uani 1 1 d .
Mn1 Mn 0.131262(18) 0.53943(2) 0.827891(19) 0.03227(13) Uani 1 1 d .
Mn4 Mn 0.215067(17) 0.48700(2) 0.867483(19) 0.03277(13) Uani 1 1 d .
Mn2 Mn 0.145530(17) 0.41286(2) 0.849694(18) 0.03137(13) Uani 1 1 d .
Mn3 Mn 0.168468(17) 0.60717(2) 0.921911(18) 0.02956(13) Uani 1 1 d .
Mn5 Mn 0.186134(16) 0.41418(2) 0.960595(18) 0.02777(12) Uani 1 1 d .
N5 N 0.05556(9) 0.51240(13) 0.98654(10) 0.0339(7) Uani 1 1 d .
N6 N 0.32635(9) 0.48479(14) 1.00407(11) 0.0360(7) Uani 1 1 d .
N2 N 0.19678(10) 0.68229(13) 0.90211(11) 0.0349(7) Uani 1 1 d .
N1 N 0.16604(10) 0.65981(13) 0.97698(11) 0.0354(7) Uani 1 1 d .
N3 N 0.18636(9) 0.38783(13) 1.02639(10) 0.0317(7) Uani 1 1 d .
N4 N 0.24042(9) 0.36612(13) 0.97239(11) 0.0343(7) Uani 1 1 d .
N7 N 0.48380(12) 0.34194(17) 0.53522(13) 0.0519(9) Uani 1 1 d .
N8 N 0.10933(13) 0.83239(18) 0.90842(14) 0.0588(10) Uani 1 1 d .
N9 N 0.32527(12) 0.71723(16) 0.83653(13) 0.0508(9) Uani 1 1 d .
N10 N 0.48690(14) 0.5906(2) 0.92433(16) 0.0661(12) Uani 1 1 d .
N11 N 0.57943(14) 0.4861(2) 0.84276(15) 0.0639(11) Uani 1 1 d .
N12 N 0.42011(12) 0.34331(17) 0.73146(16) 0.0609(11) Uani 1 1 d .
O7 O 0.08947(8) 0.50202(11) 0.78014(9) 0.0377(6) Uani 1 1 d .
O8 O 0.10148(8) 0.40766(11) 0.79545(9) 0.0371(6) Uani 1 1 d .
O15 O 0.18540(9) 0.35418(12) 0.82284(10) 0.0448(7) Uani 1 1 d .
O17 O 0.24284(8) 0.40946(12) 0.84035(9) 0.0379(6) Uani 1 1 d .
O9 O 0.24777(8) 0.53284(12) 0.83235(10) 0.0425(7) Uani 1 1 d .
O16 O 0.22875(9) 0.58056(12) 0.76553(10) 0.0485(7) Uani 1 1 d .
O12 O 0.08808(8) 0.59605(11) 0.83149(9) 0.0387(6) Uani 1 1 d .
O11 O 0.11074(8) 0.65291(12) 0.89095(10) 0.0446(7) Uani 1 1 d .
O13 O 0.11641(8) 0.35195(11) 0.87493(9) 0.0397(6) Uani 1 1 d .
O14 O 0.15375(8) 0.33119(10) 0.94462(9) 0.0348(6) Uani 1 1 d .
O1 O 0.10717(8) 0.48285(10) 0.87838(8) 0.0321(6) Uani 1 1 d .
O2 O 0.13255(8) 0.55294(11) 0.94465(9) 0.0370(6) Uani 1 1 d .
O3 O 0.13149(8) 0.44646(11) 0.95974(9) 0.0355(6) Uani 1 1 d .
O4 O 0.25661(8) 0.50049(11) 0.91946(8) 0.0346(6) Uani 1 1 d .
O6 O 0.22801(8) 0.58474(11) 0.95910(8) 0.0324(5) Uani 1 1 d .
O5 O 0.22394(8) 0.48457(11) 0.98933(8) 0.0338(6) Uani 1 1 d .
O18 O 0.16744(8) 0.47588(10) 0.82214(8) 0.0328(6) Uani 1 1 d .
O20 O 0.18776(8) 0.43151(11) 0.90059(8) 0.0326(6) Uani 1 1 d .
O19 O 0.17437(8) 0.56684(10) 0.87165(8) 0.0331(6) Uani 1 1 d .
O10 O 0.15099(9) 0.59181(12) 0.77343(9) 0.0426(7) Uani 1 1 d .
H20B H 0.1789 0.5789 0.7717 0.051 Uiso 1 1 d R
O21 O 0.19238(9) 0.47554(12) 0.55579(10) 0.0458(7) Uani 1 1 d .
H21C H 0.2062 0.4732 0.5302 0.069 Uiso 1 1 d R
O22 O 0.25133(9) 0.43757(13) 0.58651(10) 0.0491(7) Uani 1 1 d .
O1W O 0.3861(3) 0.7548(5) 0.7111(3) 0.059(3) Uani 0.30 1 d P
H1X H 0.3994 0.7374 0.6932 0.071 Uiso 0.30 1 d PR
H1Y H 0.3772 0.7869 0.6995 0.071 Uiso 0.30 1 d PR
O2W O 0.3042(3) 0.6180(3) 0.8946(3) 0.0335(19) Uani 0.30 1 d P
H2X H 0.3139 0.6339 0.8732 0.040 Uiso 0.30 1 d PR
H2Y H 0.2801 0.6313 0.8952 0.040 Uiso 0.30 1 d PR
O3W O 0.4075(3) 0.6161(5) 0.8387(4) 0.061(3) Uani 0.30 1 d P
H3X H 0.3857 0.6169 0.8505 0.074 Uiso 0.30 1 d PR
H3Y H 0.4246 0.5919 0.8528 0.074 Uiso 0.30 1 d PR
O4W O 0.4116(4) 0.6464(5) 0.7488(4) 0.061(3) Uani 0.30 1 d P
H4X H 0.4107 0.6375 0.7762 0.074 Uiso 0.30 1 d PR
H4Y H 0.4038 0.6811 0.7439 0.074 Uiso 0.30 1 d PR
O5W O 0.4814(4) 0.4379(5) 0.8251(4) 0.068(3) Uani 0.30 1 d P
H5X H 0.4707 0.4690 0.8133 0.082 Uiso 0.30 1 d PR
H5Y H 0.4626 0.4174 0.8335 0.082 Uiso 0.30 1 d PR
O6W O 0.3881(3) 0.2593(4) 0.9036(3) 0.044(2) Uani 0.30 1 d P
H6X H 0.4042 0.2317 0.9136 0.053 Uiso 0.30 1 d PR
H6Y H 0.3686 0.2469 0.8830 0.053 Uiso 0.30 1 d PR
O7W O 0.0166(4) 0.2203(6) 0.7522(5) 0.046(4) Uani 0.20 1 d P
H7X H 0.0063 0.1932 0.7658 0.055 Uiso 0.20 1 d PR
H7Y H 0.0129 0.2131 0.7239 0.055 Uiso 0.20 1 d PR
P1 P 0.11119(3) 0.49584(4) 0.92910(3) 0.02678(19) Uani 1 1 d .
P2 P 0.24827(3) 0.52635(4) 0.96475(3) 0.02739(19) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 '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
O7 C1 O8 116.7(3) .
O7 C1 C2 125.1(4) .
O8 C1 C2 118.1(3) .
C1 C2 C3 117.3(4) .
C1 C2 C7 121.8(4) .
C3 C2 C7 120.8(4) .
C4 C3 C2 116.3(4) .
C4 C3 H3 121.9 .
C2 C3 H3 121.9 .
C3 C4 C5 129.7(5) .
C3 C4 H4 115.1 .
C5 C4 H4 115.1 .
C6 C5 C4 113.1(4) .
C6 C5 H5 123.4 .
C4 C5 H5 123.4 .
C5 C6 C7 121.6(4) .
C5 C6 H6 119.2 .
C7 C6 H6 119.2 .
C2 C7 C6 118.4(4) .
C2 C7 H7 120.8 .
C6 C7 H7 120.8 .
O17 C8 O15 125.4(3) .
O17 C8 C9 119.3(4) .
O15 C8 C9 115.3(4) .
C14 C9 C10 119.9(4) .
C14 C9 C8 119.5(4) .
C10 C9 C8 120.6(4) .
C9 C10 C11 120.4(4) .
C9 C10 H10 119.8 .
C11 C10 H10 119.8 .
C12 C11 C10 117.1(5) .
C12 C11 H11 121.5 .
C10 C11 H11 121.5 .
C13 C12 C11 125.2(4) .
C13 C12 H12 117.4 .
C11 C12 H12 117.4 .
C12 C13 C14 117.4(5) .
C12 C13 H13 121.3 .
C14 C13 H13 121.3 .
C9 C14 C13 119.8(5) .
C9 C14 H14 120.1 .
C13 C14 H14 120.1 .
O16 C15 O9 125.4(3) .
O16 C15 C16 120.0(3) .
O9 C15 C16 114.5(3) .
C21 C16 C17 120.0(4) .
C21 C16 C15 121.9(4) .
C17 C16 C15 118.0(4) .
C16 C17 C18 118.9(4) .
C16 C17 H17 120.6 .
C18 C17 H17 120.6 .
C19 C18 C17 119.2(4) .
C19 C18 H18 120.4 .
C17 C18 H18 120.4 .
C20 C19 C18 120.3(5) .
C20 C19 H19 119.8 .
C18 C19 H19 119.8 .
C19 C20 C21 122.3(5) .
C19 C20 H20 118.9 .
C21 C20 H20 118.9 .
C16 C21 C20 119.1(4) .
C16 C21 H21 120.4 .
C20 C21 H21 120.4 .
O11 C22 O12 126.5(3) .
O11 C22 C23 119.2(3) .
O12 C22 C23 114.3(3) .
C24 C23 C28 119.9(4) .
C24 C23 C22 120.7(4) .
C28 C23 C22 119.4(4) .
C25 C24 C23 119.9(4) .
C25 C24 H24 120.1 .
C23 C24 H24 120.1 .
C24 C25 C26 120.3(4) .
C24 C25 H25 119.8 .
C26 C25 H25 119.8 .
C27 C26 C25 119.5(4) .
C27 C26 H26 120.2 .
C25 C26 H26 120.2 .
C26 C27 C28 121.8(5) .
C26 C27 H27 119.1 .
C28 C27 H27 119.1 .
C23 C28 C27 118.5(4) .
C23 C28 H28 120.7 .
C27 C28 H28 120.7 .
O14 C29 O13 127.3(3) .
O14 C29 C30 116.5(3) .
O13 C29 C30 116.1(3) .
C35 C30 C31 121.1(4) .
C35 C30 C29 120.7(4) .
C31 C30 C29 118.2(4) .
C32 C31 C30 117.6(4) .
C32 C31 H31 121.2 .
C30 C31 H31 121.2 .
C31 C32 C33 121.0(4) .
C31 C32 H32 119.5 .
C33 C32 H32 119.5 .
C34 C33 C32 119.9(4) .
C34 C33 H33 120.0 .
C32 C33 H33 120.0 .
C35 C34 C33 119.4(4) .
C35 C34 H34 120.3 .
C33 C34 H34 120.3 .
C30 C35 C34 120.9(4) .
C30 C35 H35 119.6 .
C34 C35 H35 119.6 .
N5 C36 P1 114.0(2) .
N5 C36 H36A 108.7 .
P1 C36 H36A 108.7 .
N5 C36 H36B 108.7 .
P1 C36 H36B 108.7 .
H36A C36 H36B 107.6 .
N5 C37 C38 128.2(3) .
N5 C37 C42 108.2(3) .
C38 C37 C42 123.5(4) .
C37 C38 C39 116.2(4) .
C37 C38 H38 121.9 .
C39 C38 H38 121.9 .
C38 C39 C40 121.3(4) .
C38 C39 H39 119.4 .
C40 C39 H39 119.4 .
C41 C40 C39 120.6(4) .
C41 C40 H40 119.7 .
C39 C40 H40 119.7 .
C40 C41 C42 118.8(4) .
C40 C41 H41 120.6 .
C42 C41 H41 120.6 .
C41 C42 C37 119.4(4) .
C41 C42 C43 133.7(4) .
C37 C42 C43 106.9(3) .
C48 C43 C44 119.2(4) .
C48 C43 C42 107.7(4) .
C44 C43 C42 133.0(4) .
C45 C44 C43 119.0(4) .
C45 C44 H44 120.5 .
C43 C44 H44 120.5 .
C46 C45 C44 119.7(4) .
C46 C45 H45 120.1 .
C44 C45 H45 120.1 .
C45 C46 C47 122.5(4) .
C45 C46 H46 118.8 .
C47 C46 H46 118.8 .
C48 C47 C46 117.0(4) .
C48 C47 H47 121.5 .
C46 C47 H47 121.5 .
C47 C48 C43 122.5(4) .
C47 C48 N5 130.0(3) .
C43 C48 N5 107.5(3) .
N6 C49 P2 114.7(2) .
N6 C49 H49A 108.6 .
P2 C49 H49A 108.6 .
N6 C49 H49B 108.6 .
P2 C49 H49B 108.6 .
H49A C49 H49B 107.6 .
N6 C50 C51 128.6(4) .
N6 C50 C55 109.3(4) .
C51 C50 C55 122.1(4) .
C50 C51 C52 116.6(4) .
C50 C51 H51 121.7 .
C52 C51 H51 121.7 .
C53 C52 C51 120.8(4) .
C53 C52 H52 119.6 .
C51 C52 H52 119.6 .
C52 C53 C54 122.2(4) .
C52 C53 H53 118.9 .
C54 C53 H53 118.9 .
C53 C54 C55 118.7(4) .
C53 C54 H54 120.7 .
C55 C54 H54 120.7 .
C54 C55 C50 119.7(4) .
C54 C55 C56 133.7(4) .
C50 C55 C56 106.6(4) .
C57 C56 C61 120.7(4) .
C57 C56 C55 133.5(4) .
C61 C56 C55 105.8(4) .
C56 C57 C58 119.0(4) .
C56 C57 H57 120.5 .
C58 C57 H57 120.5 .
C57 C58 C59 120.6(4) .
C57 C58 H58 119.7 .
C59 C58 H58 119.7 .
C60 C59 C58 120.5(4) .
C60 C59 H59 119.7 .
C58 C59 H59 119.7 .
C59 C60 C61 118.4(4) .
C59 C60 H60 120.8 .
C61 C60 H60 120.8 .
N6 C61 C60 129.2(3) .
N6 C61 C56 110.1(3) .
C60 C61 C56 120.7(4) .
N2 C62 C63 121.4(4) .
N2 C62 H62 119.3 .
C63 C62 H62 119.3 .
C64 C63 C62 120.2(4) .
C64 C63 H63 119.9 .
C62 C63 H63 119.9 .
C63 C64 C65 119.3(4) .
C63 C64 H64 120.4 .
C65 C64 H64 120.4 .
C73 C65 C64 116.6(4) .
C73 C65 C66 119.5(4) .
C64 C65 C66 123.8(4) .
C67 C66 C65 120.3(4) .
C67 C66 H66 119.9 .
C65 C66 H66 119.9 .
C66 C67 C68 120.3(4) .
C66 C67 H67 119.8 .
C68 C67 H67 119.8 .
C72 C68 C67 121.0(4) .
C72 C68 C69 115.9(4) .
C67 C68 C69 123.0(4) .
C70 C69 C68 119.7(4) .
C70 C69 H69 120.1 .
C68 C69 H69 120.1 .
C69 C70 C71 119.1(4) .
C69 C70 H70 120.5 .
C71 C70 H70 120.5 .
N1 C71 C70 122.5(4) .
N1 C71 H71 118.7 .
C70 C71 H71 118.7 .
N1 C72 C68 123.8(3) .
N1 C72 C73 117.5(3) .
C68 C72 C73 118.7(4) .
N2 C73 C65 122.8(3) .
N2 C73 C72 116.8(3) .
C65 C73 C72 120.2(4) .
N3 C74 C75 119.2(3) .
N3 C74 H74 120.4 .
C75 C74 H74 120.4 .
C76 C75 C74 122.6(4) .
C76 C75 H75 118.7 .
C74 C75 H75 118.7 .
C75 C76 C77 117.0(4) .
C75 C76 H76 121.5 .
C77 C76 H76 121.5 .
C85 C77 C76 118.4(3) .
C85 C77 C78 117.3(4) .
C76 C77 C78 124.3(4) .
C79 C78 C77 122.5(4) .
C79 C78 H78 118.7 .
C77 C78 H78 118.7 .
C78 C79 C80 120.9(4) .
C78 C79 H79 119.6 .
C80 C79 H79 119.6 .
C84 C80 C81 116.4(3) .
C84 C80 C79 118.8(3) .
C81 C80 C79 124.7(3) .
C82 C81 C80 119.4(3) .
C82 C81 H81 120.3 .
C80 C81 H81 120.3 .
C81 C82 C83 120.3(4) .
C81 C82 H82 119.8 .
C83 C82 H82 119.8 .
N4 C83 C82 121.2(4) .
N4 C83 H83 119.4 .
C82 C83 H83 119.4 .
N4 C84 C80 124.0(3) .
N4 C84 C85 116.6(3) .
C80 C84 C85 119.4(3) .
N3 C85 C77 122.8(3) .
N3 C85 C84 116.2(3) .
C77 C85 C84 120.9(3) .
O10 C86 H86A 109.5 .
O10 C86 H86B 109.5 .
H86A C86 H86B 109.5 .
O10 C86 H86C 109.5 .
H86A C86 H86C 109.5 .
H86B C86 H86C 109.5 .
O22 C93 O21 119.9(4) .
O22 C93 C94 121.9(4) .
O21 C93 C94 118.1(4) .
C95 C94 C99 122.3(4) .
C95 C94 C93 120.1(4) .
C99 C94 C93 117.7(4) .
C94 C95 C96 118.5(4) .
C94 C95 H95 120.7 .
C96 C95 H95 120.7 .
C97 C96 C95 119.8(4) .
C97 C96 H96 120.1 .
C95 C96 H96 120.1 .
C98 C97 C96 119.9(4) .
C98 C97 H97 120.0 .
C96 C97 H97 120.0 .
C97 C98 C99 121.1(5) .
C97 C98 H98 119.4 .
C99 C98 H98 119.4 .
C94 C99 C98 118.2(4) .
C94 C99 H99 120.9 .
C98 C99 H99 120.9 .
C101 C100 H10A 109.5 .
C101 C100 H10B 109.5 .
H10A C100 H10B 109.5 .
C101 C100 H10C 109.5 .
H10A C100 H10C 109.5 .
H10B C100 H10C 109.5 .
N7 C101 C100 177.0(5) .
C103 C102 H10D 109.5 .
C103 C102 H10E 109.5 .
H10D C102 H10E 109.5 .
C103 C102 H10F 109.5 .
H10D C102 H10F 109.5 .
H10E C102 H10F 109.5 .
N8 C103 C102 177.1(6) .
C105 C104 H10G 109.5 .
C105 C104 H10H 109.5 .
H10G C104 H10H 109.5 .
C105 C104 H10I 109.5 .
H10G C104 H10I 109.5 .
H10H C104 H10I 109.5 .
N9 C105 C104 178.2(6) .
C107 C106 H10J 109.5 .
C107 C106 H10K 109.5 .
H10J C106 H10K 109.5 .
C107 C106 H10L 109.5 .
H10J C106 H10L 109.5 .
H10K C106 H10L 109.5 .
N10 C107 C106 177.2(5) .
C109 C108 H10M 109.5 .
C109 C108 H10N 109.5 .
H10M C108 H10N 109.5 .
C109 C108 H10O 109.5 .
H10M C108 H10O 109.5 .
H10N C108 H10O 109.5 .
N11 C109 C108 179.2(7) .
C111 C110 H11A 109.5 .
C111 C110 H11B 109.5 .
H11A C110 H11B 109.5 .
C111 C110 H11C 109.5 .
H11A C110 H11C 109.5 .
H11B C110 H11C 109.5 .
N12 C111 C110 178.4(6) .
O19 Mn1 O18 85.70(11) .
O19 Mn1 O12 101.27(11) .
O18 Mn1 O12 171.80(11) .
O19 Mn1 O7 173.07(11) .
O18 Mn1 O7 87.37(11) .
O12 Mn1 O7 85.65(11) .
O19 Mn1 O10 92.53(11) .
O18 Mn1 O10 95.08(11) .
O12 Mn1 O10 88.97(11) .
O7 Mn1 O10 88.07(11) .
O19 Mn1 O1 92.37(10) .
O18 Mn1 O1 84.76(10) .
O12 Mn1 O1 90.59(10) .
O7 Mn1 O1 87.00(10) .
O10 Mn1 O1 175.07(10) .
O19 Mn1 Mn2 96.53(8) .
O18 Mn1 Mn2 36.84(8) .
O12 Mn1 Mn2 136.73(9) .
O7 Mn1 Mn2 77.83(8) .
O10 Mn1 Mn2 129.44(8) .
O1 Mn1 Mn2 49.30(6) .
O19 Mn1 Mn4 49.12(8) .
O18 Mn1 Mn4 36.74(7) .
O12 Mn1 Mn4 149.54(8) .
O7 Mn1 Mn4 123.96(8) .
O10 Mn1 Mn4 98.20(8) .
O1 Mn1 Mn4 84.63(7) .
Mn2 Mn1 Mn4 55.532(18) .
O18 Mn4 O4 170.58(11) .
O18 Mn4 O20 83.05(11) .
O4 Mn4 O20 91.10(11) .
O18 Mn4 O9 98.62(11) .
O4 Mn4 O9 88.28(12) .
O20 Mn4 O9 171.21(12) .
O18 Mn4 O17 88.05(10) .
O4 Mn4 O17 98.79(10) .
O20 Mn4 O17 84.62(10) .
O9 Mn4 O17 86.80(11) .
O18 Mn4 O19 74.87(10) .
O4 Mn4 O19 99.08(10) .
O20 Mn4 O19 100.51(10) .
O9 Mn4 O19 88.24(11) .
O17 Mn4 O19 161.29(9) .
O18 Mn4 Mn2 41.45(8) .
O4 Mn4 Mn2 133.43(8) .
O20 Mn4 Mn2 42.36(7) .
O9 Mn4 Mn2 137.26(9) .
O17 Mn4 Mn2 78.92(7) .
O19 Mn4 Mn2 92.70(7) .
O18 Mn4 Mn1 37.47(8) .
O4 Mn4 Mn1 135.64(8) .
O20 Mn4 Mn1 89.88(8) .
O9 Mn4 Mn1 96.69(9) .
O17 Mn4 Mn1 125.43(7) .
O19 Mn4 Mn1 37.53(6) .
Mn2 Mn4 Mn1 62.10(2) .
O18 Mn2 O20 83.96(11) .
O18 Mn2 O13 173.00(11) .
O20 Mn2 O13 101.01(11) .
O18 Mn2 O8 88.10(11) .
O20 Mn2 O8 170.38(11) .
O13 Mn2 O8 86.45(11) .
O18 Mn2 O15 91.34(11) .
O20 Mn2 O15 92.39(11) .
O13 Mn2 O15 93.36(12) .
O8 Mn2 O15 93.23(11) .
O18 Mn2 O1 83.82(10) .
O20 Mn2 O1 84.69(10) .
O13 Mn2 O1 91.69(10) .
O8 Mn2 O1 89.06(10) .
O15 Mn2 O1 174.58(11) .
O18 Mn2 Mn4 41.53(7) .
O20 Mn2 Mn4 43.21(8) .
O13 Mn2 Mn4 144.04(8) .
O8 Mn2 Mn4 129.50(8) .
O15 Mn2 Mn4 86.18(8) .
O1 Mn2 Mn4 88.57(6) .
O18 Mn2 Mn1 37.64(8) .
O20 Mn2 Mn1 90.70(8) .
O13 Mn2 Mn1 136.57(8) .
O8 Mn2 Mn1 79.69(8) .
O15 Mn2 Mn1 128.11(8) .
O1 Mn2 Mn1 47.55(6) .
Mn4 Mn2 Mn1 62.37(2) .
O19 Mn3 O2 96.87(11) .
O19 Mn3 N1 173.69(13) .
O2 Mn3 N1 89.44(12) .
O19 Mn3 N2 94.33(12) .
O2 Mn3 N2 164.92(12) .
N1 Mn3 N2 79.48(13) .
O19 Mn3 O6 94.64(10) .
O2 Mn3 O6 102.41(11) .
N1 Mn3 O6 83.85(11) .
N2 Mn3 O6 86.67(11) .
O19 Mn3 O11 96.50(11) .
O2 Mn3 O11 86.13(11) .
N1 Mn3 O11 84.00(11) .
N2 Mn3 O11 82.59(11) .
O6 Mn3 O11 165.05(10) .
O20 Mn5 O3 95.38(11) .
O20 Mn5 N3 174.95(12) .
O3 Mn5 N3 88.24(11) .
O20 Mn5 N4 96.10(12) .
O3 Mn5 N4 166.43(12) .
N3 Mn5 N4 79.88(12) .
O20 Mn5 O5 96.13(10) .
O3 Mn5 O5 100.07(11) .
N3 Mn5 O5 86.69(11) .
N4 Mn5 O5 85.89(11) .
O20 Mn5 O14 94.46(11) .
O3 Mn5 O14 85.96(10) .
N3 Mn5 O14 82.26(11) .
N4 Mn5 O14 85.95(11) .
O5 Mn5 O14 167.26(10) .
C37 N5 C48 109.7(2) .
C37 N5 C36 126.7(2) .
C48 N5 C36 123.6(2) .
C50 N6 C61 108.1(3) .
C50 N6 C49 125.9(3) .
C61 N6 C49 124.9(2) .
C62 N2 C73 119.6(3) .
C62 N2 Mn3 128.0(2) .
C73 N2 Mn3 112.38(19) .
C71 N1 C72 118.9(3) .
C71 N1 Mn3 127.2(2) .
C72 N1 Mn3 113.78(19) .
C74 N3 C85 119.8(3) .
C74 N3 Mn5 126.32(19) .
C85 N3 Mn5 113.7(2) .
C83 N4 C84 118.5(3) .
C83 N4 Mn5 128.1(3) .
C84 N4 Mn5 113.3(2) .
C1 O7 Mn1 134.41(18) .
C1 O8 Mn2 131.18(16) .
C8 O15 Mn2 122.40(18) .
C8 O17 Mn4 126.80(18) .
C15 O9 Mn4 146.39(19) .
C22 O12 Mn1 133.64(17) .
C22 O11 Mn3 127.55(18) .
C29 O13 Mn2 132.92(18) .
C29 O14 Mn5 121.45(18) .
P1 O1 Mn1 125.01(14) .
P1 O1 Mn2 123.58(14) .
Mn1 O1 Mn2 83.15(9) .
P1 O2 Mn3 137.03(17) .
P1 O3 Mn5 126.37(16) .
P2 O4 Mn4 124.49(15) .
P2 O6 Mn3 128.50(15) .
P2 O5 Mn5 127.45(15) .
Mn2 O18 Mn4 97.02(11) .
Mn2 O18 Mn1 105.52(13) .
Mn4 O18 Mn1 105.79(12) .
Mn5 O20 Mn2 125.40(14) .
Mn5 O20 Mn4 137.53(14) .
Mn2 O20 Mn4 94.44(11) .
Mn3 O19 Mn1 125.51(14) .
Mn3 O19 Mn4 127.79(12) .
Mn1 O19 Mn4 93.34(10) .
C86 O10 Mn1 126.1(3) .
C86 O10 H20B 106.5 .
Mn1 O10 H20B 105.8 .
C93 O21 H21C 108.0 .
H1X O1W H1Y 109.5 .
H2X O2W H2Y 109.5 .
H3X O3W H3Y 109.5 .
H4X O4W H4Y 109.5 .
H5X O5W H5Y 109.5 .
H6X O6W H6Y 109.4 .
O7W O7W H7X 65.0 2_556
O7W O7W H7Y 85.4 2_556
H7X O7W H7Y 109.5 .
O1 P1 O2 115.09(15) .
O1 P1 O3 113.14(14) .
O2 P1 O3 109.92(15) .
O1 P1 C36 105.69(11) .
O2 P1 C36 107.16(13) .
O3 P1 C36 105.06(13) .
O6 P2 O5 111.65(15) .
O6 P2 O4 113.26(14) .
O5 P2 O4 111.43(15) .
O6 P2 C49 106.94(12) .
O5 P2 C49 109.21(14) .
O4 P2 C49 103.89(13) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O7 1.291(4) .
C1 O8 1.360(4) .
C1 C2 1.378(5) .
C2 C3 1.389(6) .
C2 C7 1.391(6) .
C3 C4 1.252(6) .
C3 H3 0.9300 .
C4 C5 1.411(6) .
C4 H4 0.9300 .
C5 C6 1.372(6) .
C5 H5 0.9300 .
C6 C7 1.392(6) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O17 1.269(5) .
C8 O15 1.270(4) .
C8 C9 1.521(5) .
C9 C14 1.380(7) .
C9 C10 1.392(7) .
C10 C11 1.408(6) .
C10 H10 0.9300 .
C11 C12 1.369(6) .
C11 H11 0.9300 .
C12 C13 1.342(7) .
C12 H12 0.9300 .
C13 C14 1.431(6) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O16 1.251(4) .
C15 O9 1.302(4) .
C15 C16 1.504(6) .
C16 C21 1.358(6) .
C16 C17 1.384(6) .
C17 C18 1.411(6) .
C17 H17 0.9300 .
C18 C19 1.385(6) .
C18 H18 0.9300 .
C19 C20 1.299(7) .
C19 H19 0.9300 .
C20 C21 1.399(7) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O11 1.212(4) .
C22 O12 1.284(4) .
C22 C23 1.516(5) .
C23 C24 1.384(6) .
C23 C28 1.403(6) .
C24 C25 1.383(6) .
C24 H24 0.9300 .
C25 C26 1.419(7) .
C25 H25 0.9300 .
C26 C27 1.325(6) .
C26 H26 0.9300 .
C27 C28 1.418(6) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 O14 1.257(4) .
C29 O13 1.271(4) .
C29 C30 1.510(5) .
C30 C35 1.377(6) .
C30 C31 1.421(5) .
C31 C32 1.393(6) .
C31 H31 0.9300 .
C32 C33 1.410(7) .
C32 H32 0.9300 .
C33 C34 1.394(6) .
C33 H33 0.9300 .
C34 C35 1.388(6) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 N5 1.451(4) .
C36 P1 1.817(4) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 N5 1.380(4) .
C37 C38 1.386(6) .
C37 C42 1.402(5) .
C38 C39 1.405(6) .
C38 H38 0.9300 .
C39 C40 1.418(7) .
C39 H39 0.9300 .
C40 C41 1.385(6) .
C40 H40 0.9300 .
C41 C42 1.396(5) .
C41 H41 0.9300 .
C42 C43 1.439(6) .
C43 C48 1.395(5) .
C43 C44 1.418(6) .
C44 C45 1.398(6) .
C44 H44 0.9300 .
C45 C46 1.385(6) .
C45 H45 0.9300 .
C46 C47 1.404(6) .
C46 H46 0.9300 .
C47 C48 1.384(5) .
C47 H47 0.9300 .
C48 N5 1.397(4) .
C49 N6 1.465(4) .
C49 P2 1.830(4) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C50 N6 1.382(4) .
C50 C51 1.405(6) .
C50 C55 1.420(6) .
C51 C52 1.419(6) .
C51 H51 0.9300 .
C52 C53 1.388(6) .
C52 H52 0.9300 .
C53 C54 1.389(6) .
C53 H53 0.9300 .
C54 C55 1.391(6) .
C54 H54 0.9300 .
C55 C56 1.454(6) .
C56 C57 1.370(6) .
C56 C61 1.409(6) .
C57 C58 1.373(6) .
C57 H57 0.9300 .
C58 C59 1.438(6) .
C58 H58 0.9300 .
C59 C60 1.355(6) .
C59 H59 0.9300 .
C60 C61 1.404(6) .
C60 H60 0.9300 .
C61 N6 1.392(4) .
C62 N2 1.325(4) .
C62 C63 1.397(6) .
C62 H62 0.9300 .
C63 C64 1.384(6) .
C63 H63 0.9300 .
C64 C65 1.419(6) .
C64 H64 0.9300 .
C65 C73 1.403(5) .
C65 C66 1.436(6) .
C66 C67 1.370(6) .
C66 H66 0.9300 .
C67 C68 1.410(6) .
C67 H67 0.9300 .
C68 C72 1.408(5) .
C68 C69 1.417(6) .
C69 C70 1.394(6) .
C69 H69 0.9300 .
C70 C71 1.400(6) .
C70 H70 0.9300 .
C71 N1 1.314(4) .
C71 H71 0.9300 .
C72 N1 1.359(4) .
C72 C73 1.424(6) .
C73 N2 1.365(4) .
C74 N3 1.331(4) .
C74 C75 1.417(6) .
C74 H74 0.9300 .
C75 C76 1.377(6) .
C75 H75 0.9300 .
C76 C77 1.422(6) .
C76 H76 0.9300 .
C77 C85 1.390(4) .
C77 C78 1.441(6) .
C78 C79 1.320(7) .
C78 H78 0.9300 .
C79 C80 1.437(6) .
C79 H79 0.9300 .
C80 C84 1.397(4) .
C80 C81 1.418(4) .
C81 C82 1.391(6) .
C81 H81 0.9300 .
C82 C83 1.401(6) .
C82 H82 0.9300 .
C83 N4 1.342(5) .
C83 H83 0.9300 .
C84 N4 1.371(5) .
C84 C85 1.432(5) .
C85 N3 1.375(5) .
C86 O10 1.439(5) .
C86 H86A 0.9600 .
C86 H86B 0.9600 .
C86 H86C 0.9600 .
C93 O22 1.238(5) .
C93 O21 1.263(5) .
C93 C94 1.504(6) .
C94 C95 1.377(6) .
C94 C99 1.382(6) .
C95 C96 1.412(6) .
C95 H95 0.9300 .
C96 C97 1.399(6) .
C96 H96 0.9300 .
C97 C98 1.366(7) .
C97 H97 0.9300 .
C98 C99 1.404(6) .
C98 H98 0.9300 .
C99 H99 0.9300 .
C100 C101 1.432(7) .
C100 H10A 0.9600 .
C100 H10B 0.9600 .
C100 H10C 0.9600 .
C101 N7 1.212(6) .
C102 C103 1.417(7) .
C102 H10D 0.9600 .
C102 H10E 0.9600 .
C102 H10F 0.9600 .
C103 N8 1.175(6) .
C104 C105 1.430(6) .
C104 H10G 0.9600 .
C104 H10H 0.9600 .
C104 H10I 0.9600 .
C105 N9 1.172(6) .
C106 C107 1.434(8) .
C106 H10J 0.9600 .
C106 H10K 0.9600 .
C106 H10L 0.9600 .
C107 N10 1.187(7) .
C108 C109 1.421(8) .
C108 H10M 0.9600 .
C108 H10N 0.9600 .
C108 H10O 0.9600 .
C109 N11 1.194(7) .
C110 C111 1.423(6) .
C110 H11A 0.9600 .
C110 H11B 0.9600 .
C110 H11C 0.9600 .
C111 N12 1.240(6) .
Mn1 O19 1.852(2) .
Mn1 O18 1.918(3) .
Mn1 O12 1.946(3) .
Mn1 O7 1.986(3) .
Mn1 O10 2.220(3) .
Mn1 O1 2.249(3) .
Mn1 Mn2 3.0267(8) .
Mn1 Mn4 3.0342(8) .
Mn4 O18 1.886(2) .
Mn4 O4 1.894(3) .
Mn4 O20 1.939(3) .
Mn4 O9 1.947(3) .
Mn4 O17 2.234(3) .
Mn4 O19 2.298(3) .
Mn4 Mn2 2.8235(8) .
Mn2 O18 1.883(3) .
Mn2 O20 1.908(3) .
Mn2 O13 1.933(3) .
Mn2 O8 1.966(3) .
Mn2 O15 2.141(3) .
Mn2 O1 2.311(3) .
Mn3 O19 1.810(2) .
Mn3 O2 1.928(3) .
Mn3 N1 2.063(3) .
Mn3 N2 2.109(3) .
Mn3 O6 2.123(2) .
Mn3 O11 2.216(3) .
Mn5 O20 1.849(3) .
Mn5 O3 1.933(2) .
Mn5 N3 2.059(3) .
Mn5 N4 2.072(3) .
Mn5 O5 2.132(3) .
Mn5 O14 2.208(3) .
O1 P1 1.528(3) .
O2 P1 1.530(3) .
O3 P1 1.540(3) .
O4 P2 1.550(3) .
O6 P2 1.504(3) .
O5 P2 1.526(3) .
O10 H20B 0.9700 .
O21 H21C 0.9600 .
O1W H1X 0.8500 .
O1W H1Y 0.8499 .
O2W H2X 0.8499 .
O2W H2Y 0.8501 .
O3W H3X 0.8500 .
O3W H3Y 0.8501 .
O4W H4X 0.8500 .
O4W H4Y 0.8499 .
O5W H5X 0.8501 .
O5W H5Y 0.8498 .
O6W H6X 0.8500 .
O6W H6Y 0.8499 .
O7W O7W 1.07(2) 2_556
O7W H7X 0.8499 .
O7W H7Y 0.8499 .
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
O7 C1 C2 C3 -3.5(6)
O8 C1 C2 C3 172.9(3)
O7 C1 C2 C7 178.0(3)
O8 C1 C2 C7 -5.7(6)
C1 C2 C3 C4 -176.8(4)
C7 C2 C3 C4 1.8(6)
C2 C3 C4 C5 0.1(7)
C3 C4 C5 C6 -1.8(7)
C4 C5 C6 C7 1.6(6)
C1 C2 C7 C6 176.7(4)
C3 C2 C7 C6 -1.8(6)
C5 C6 C7 C2 0.0(6)
O17 C8 C9 C14 4.6(5)
O15 C8 C9 C14 -175.6(3)
O17 C8 C9 C10 -174.1(3)
O15 C8 C9 C10 5.7(5)
C14 C9 C10 C11 2.0(6)
C8 C9 C10 C11 -179.3(4)
C9 C10 C11 C12 0.1(6)
C10 C11 C12 C13 -1.8(7)
C11 C12 C13 C14 1.2(7)
C10 C9 C14 C13 -2.6(6)
C8 C9 C14 C13 178.7(4)
C12 C13 C14 C9 1.1(7)
O16 C15 C16 C21 -174.8(4)
O9 C15 C16 C21 3.1(6)
O16 C15 C16 C17 2.7(6)
O9 C15 C16 C17 -179.4(4)
C21 C16 C17 C18 -2.0(8)
C15 C16 C17 C18 -179.5(5)
C16 C17 C18 C19 -0.5(8)
C17 C18 C19 C20 4.0(9)
C18 C19 C20 C21 -4.9(9)
C17 C16 C21 C20 1.3(7)
C15 C16 C21 C20 178.7(4)
C19 C20 C21 C16 2.2(8)
O11 C22 C23 C24 177.2(3)
O12 C22 C23 C24 -3.0(5)
O11 C22 C23 C28 -3.2(6)
O12 C22 C23 C28 176.7(3)
C28 C23 C24 C25 1.2(6)
C22 C23 C24 C25 -179.2(4)
C23 C24 C25 C26 1.3(6)
C24 C25 C26 C27 -3.1(7)
C25 C26 C27 C28 2.4(7)
C24 C23 C28 C27 -1.9(6)
C22 C23 C28 C27 178.5(4)
C26 C27 C28 C23 0.1(7)
O14 C29 C30 C35 25.4(5)
O13 C29 C30 C35 -155.1(3)
O14 C29 C30 C31 -156.1(3)
O13 C29 C30 C31 23.4(5)
C35 C30 C31 C32 0.4(6)
C29 C30 C31 C32 -178.1(3)
C30 C31 C32 C33 0.2(6)
C31 C32 C33 C34 -0.8(7)
C32 C33 C34 C35 0.8(6)
C31 C30 C35 C34 -0.4(6)
C29 C30 C35 C34 178.0(3)
C33 C34 C35 C30 -0.2(6)
N5 C37 C38 C39 176.9(3)
C42 C37 C38 C39 -2.5(6)
C37 C38 C39 C40 1.4(6)
C38 C39 C40 C41 1.4(7)
C39 C40 C41 C42 -3.3(7)
C40 C41 C42 C37 2.2(6)
C40 C41 C42 C43 -175.6(4)
N5 C37 C42 C41 -178.8(3)
C38 C37 C42 C41 0.7(6)
N5 C37 C42 C43 -0.4(4)
C38 C37 C42 C43 179.1(4)
C41 C42 C43 C48 177.4(4)
C37 C42 C43 C48 -0.7(4)
C41 C42 C43 C44 -0.3(8)
C37 C42 C43 C44 -178.3(4)
C48 C43 C44 C45 -0.6(6)
C42 C43 C44 C45 176.8(4)
C43 C44 C45 C46 0.1(6)
C44 C45 C46 C47 -0.1(6)
C45 C46 C47 C48 0.5(6)
C46 C47 C48 C43 -1.0(6)
C46 C47 C48 N5 -179.0(3)
C44 C43 C48 C47 1.1(6)
C42 C43 C48 C47 -176.9(3)
C44 C43 C48 N5 179.5(3)
C42 C43 C48 N5 1.5(4)
N6 C50 C51 C52 -178.0(4)
C55 C50 C51 C52 -1.8(6)
C50 C51 C52 C53 1.3(6)
C51 C52 C53 C54 -0.8(7)
C52 C53 C54 C55 0.8(7)
C53 C54 C55 C50 -1.3(6)
C53 C54 C55 C56 -179.4(5)
N6 C50 C55 C54 178.8(4)
C51 C50 C55 C54 1.9(6)
N6 C50 C55 C56 -2.7(5)
C51 C50 C55 C56 -179.6(4)
C54 C55 C56 C57 0.5(9)
C50 C55 C56 C57 -177.7(5)
C54 C55 C56 C61 -179.9(5)
C50 C55 C56 C61 1.9(5)
C61 C56 C57 C58 0.9(7)
C55 C56 C57 C58 -179.6(5)
C56 C57 C58 C59 0.5(8)
C57 C58 C59 C60 -2.3(8)
C58 C59 C60 C61 2.6(8)
C59 C60 C61 N6 179.0(4)
C59 C60 C61 C56 -1.3(7)
C57 C56 C61 N6 179.3(4)
C55 C56 C61 N6 -0.4(5)
C57 C56 C61 C60 -0.5(7)
C55 C56 C61 C60 179.9(4)
N2 C62 C63 C64 2.1(6)
C62 C63 C64 C65 -0.8(7)
C63 C64 C65 C73 -1.9(6)
C63 C64 C65 C66 176.1(4)
C73 C65 C66 C67 -1.2(6)
C64 C65 C66 C67 -179.2(4)
C65 C66 C67 C68 0.3(7)
C66 C67 C68 C72 0.9(6)
C66 C67 C68 C69 177.8(4)
C72 C68 C69 C70 2.1(6)
C67 C68 C69 C70 -175.1(4)
C68 C69 C70 C71 -3.3(6)
C69 C70 C71 N1 2.9(6)
C67 C68 C72 N1 176.8(3)
C69 C68 C72 N1 -0.4(6)
C67 C68 C72 C73 -1.1(6)
C69 C68 C72 C73 -178.3(4)
C64 C65 C73 N2 3.8(6)
C66 C65 C73 N2 -174.4(3)
C64 C65 C73 C72 179.1(4)
C66 C65 C73 C72 1.0(6)
N1 C72 C73 N2 -2.3(5)
C68 C72 C73 N2 175.8(3)
N1 C72 C73 C65 -177.9(3)
C68 C72 C73 C65 0.2(6)
N3 C74 C75 C76 -4.5(6)
C74 C75 C76 C77 4.5(7)
C75 C76 C77 C85 -3.3(6)
C75 C76 C77 C78 -180.0(4)
C85 C77 C78 C79 4.9(7)
C76 C77 C78 C79 -178.5(5)
C77 C78 C79 C80 -2.1(7)
C78 C79 C80 C84 -0.6(6)
C78 C79 C80 C81 178.0(4)
C84 C80 C81 C82 0.0(5)
C79 C80 C81 C82 -178.6(3)
C80 C81 C82 C83 -2.1(6)
C81 C82 C83 N4 1.9(6)
C81 C80 C84 N4 2.5(4)
C79 C80 C84 N4 -178.8(3)
C81 C80 C84 C85 -178.2(3)
C79 C80 C84 C85 0.4(4)
C76 C77 C85 N3 2.3(5)
C78 C77 C85 N3 179.2(3)
C76 C77 C85 C84 178.2(3)
C78 C77 C85 C84 -4.9(5)
N4 C84 C85 N3 -2.1(5)
C80 C84 C85 N3 178.6(3)
N4 C84 C85 C77 -178.3(3)
C80 C84 C85 C77 2.4(5)
O22 C93 C94 C95 -173.2(4)
O21 C93 C94 C95 10.4(6)
O22 C93 C94 C99 7.5(6)
O21 C93 C94 C99 -168.9(4)
C99 C94 C95 C96 0.4(7)
C93 C94 C95 C96 -178.8(4)
C94 C95 C96 C97 0.7(7)
C95 C96 C97 C98 0.6(7)
C96 C97 C98 C99 -2.9(8)
C95 C94 C99 C98 -2.7(7)
C93 C94 C99 C98 176.5(4)
C97 C98 C99 C94 4.0(8)
O19 Mn1 Mn4 O18 -173.73(17)
O12 Mn1 Mn4 O18 170.4(2)
O7 Mn1 Mn4 O18 5.72(16)
O10 Mn1 Mn4 O18 -87.50(15)
O1 Mn1 Mn4 O18 88.44(14)
Mn2 Mn1 Mn4 O18 45.31(13)
O19 Mn1 Mn4 O4 16.13(16)
O18 Mn1 Mn4 O4 -170.14(18)
O12 Mn1 Mn4 O4 0.3(2)
O7 Mn1 Mn4 O4 -164.42(15)
O10 Mn1 Mn4 O4 102.36(14)
O1 Mn1 Mn4 O4 -81.71(13)
Mn2 Mn1 Mn4 O4 -124.83(12)
O19 Mn1 Mn4 O20 107.58(13)
O18 Mn1 Mn4 O20 -78.69(15)
O12 Mn1 Mn4 O20 91.73(18)
O7 Mn1 Mn4 O20 -72.97(12)
O10 Mn1 Mn4 O20 -166.18(11)
O1 Mn1 Mn4 O20 9.75(10)
Mn2 Mn1 Mn4 O20 -33.37(8)
O19 Mn1 Mn4 O9 -78.27(14)
O18 Mn1 Mn4 O9 95.46(15)
O12 Mn1 Mn4 O9 -94.13(19)
O7 Mn1 Mn4 O9 101.18(13)
O10 Mn1 Mn4 O9 7.96(11)
O1 Mn1 Mn4 O9 -176.11(11)
Mn2 Mn1 Mn4 O9 140.77(9)
O19 Mn1 Mn4 O17 -169.10(14)
O18 Mn1 Mn4 O17 4.63(15)
O12 Mn1 Mn4 O17 175.04(18)
O7 Mn1 Mn4 O17 10.35(13)
O10 Mn1 Mn4 O17 -82.87(11)
O1 Mn1 Mn4 O17 93.06(11)
Mn2 Mn1 Mn4 O17 49.94(9)
O18 Mn1 Mn4 O19 173.73(17)
O12 Mn1 Mn4 O19 -15.86(19)
O7 Mn1 Mn4 O19 179.45(15)
O10 Mn1 Mn4 O19 86.23(13)
O1 Mn1 Mn4 O19 -97.83(12)
Mn2 Mn1 Mn4 O19 -140.96(11)
O19 Mn1 Mn4 Mn2 140.96(11)
O18 Mn1 Mn4 Mn2 -45.31(13)
O12 Mn1 Mn4 Mn2 125.10(17)
O7 Mn1 Mn4 Mn2 -39.59(10)
O10 Mn1 Mn4 Mn2 -132.81(8)
O1 Mn1 Mn4 Mn2 43.12(6)
O4 Mn4 Mn2 O18 168.59(16)
O20 Mn4 Mn2 O18 166.06(16)
O9 Mn4 Mn2 O18 -26.95(17)
O17 Mn4 Mn2 O18 -99.75(13)
O19 Mn4 Mn2 O18 63.39(13)
Mn1 Mn4 Mn2 O18 40.79(12)
O18 Mn4 Mn2 O20 -166.06(16)
O4 Mn4 Mn2 O20 2.53(15)
O9 Mn4 Mn2 O20 166.99(17)
O17 Mn4 Mn2 O20 94.19(13)
O19 Mn4 Mn2 O20 -102.67(13)
Mn1 Mn4 Mn2 O20 -125.26(11)
O18 Mn4 Mn2 O13 -173.19(19)
O4 Mn4 Mn2 O13 -4.61(19)
O20 Mn4 Mn2 O13 -7.13(18)
O9 Mn4 Mn2 O13 159.86(19)
O17 Mn4 Mn2 O13 87.06(16)
O19 Mn4 Mn2 O13 -109.80(16)
Mn1 Mn4 Mn2 O13 -132.40(15)
O18 Mn4 Mn2 O8 5.32(15)
O4 Mn4 Mn2 O8 173.90(15)
O20 Mn4 Mn2 O8 171.38(15)
O9 Mn4 Mn2 O8 -21.63(17)
O17 Mn4 Mn2 O8 -94.44(12)
O19 Mn4 Mn2 O8 68.70(12)
Mn1 Mn4 Mn2 O8 46.11(10)
O18 Mn4 Mn2 O15 96.35(14)
O4 Mn4 Mn2 O15 -95.06(13)
O20 Mn4 Mn2 O15 -97.59(14)
O9 Mn4 Mn2 O15 69.40(15)
O17 Mn4 Mn2 O15 -3.40(10)
O19 Mn4 Mn2 O15 159.74(10)
Mn1 Mn4 Mn2 O15 137.15(8)
O18 Mn4 Mn2 O1 -82.29(13)
O4 Mn4 Mn2 O1 86.30(13)
O20 Mn4 Mn2 O1 83.77(13)
O9 Mn4 Mn2 O1 -109.24(14)
O17 Mn4 Mn2 O1 177.96(9)
O19 Mn4 Mn2 O1 -18.90(9)
Mn1 Mn4 Mn2 O1 -41.50(6)
O18 Mn4 Mn2 Mn1 -40.79(12)
O4 Mn4 Mn2 Mn1 127.79(11)
O20 Mn4 Mn2 Mn1 125.26(11)
O9 Mn4 Mn2 Mn1 -67.74(13)
O17 Mn4 Mn2 Mn1 -140.55(7)
O19 Mn4 Mn2 Mn1 22.59(6)
O19 Mn1 Mn2 O18 -73.82(15)
O12 Mn1 Mn2 O18 172.07(17)
O7 Mn1 Mn2 O18 102.09(15)
O10 Mn1 Mn2 O18 24.91(15)
O1 Mn1 Mn2 O18 -161.32(15)
Mn4 Mn1 Mn2 O18 -45.18(12)
O19 Mn1 Mn2 O20 5.34(11)
O18 Mn1 Mn2 O20 79.16(14)
O12 Mn1 Mn2 O20 -108.77(14)
O7 Mn1 Mn2 O20 -178.75(11)
O10 Mn1 Mn2 O20 104.08(12)
O1 Mn1 Mn2 O20 -82.16(11)
Mn4 Mn1 Mn2 O20 33.99(8)
O19 Mn1 Mn2 O13 112.25(15)
O18 Mn1 Mn2 O13 -173.93(17)
O12 Mn1 Mn2 O13 -1.87(17)
O7 Mn1 Mn2 O13 -71.84(15)
O10 Mn1 Mn2 O13 -149.02(15)
O1 Mn1 Mn2 O13 24.75(15)
Mn4 Mn1 Mn2 O13 140.89(12)
O19 Mn1 Mn2 O8 -174.23(11)
O18 Mn1 Mn2 O8 -100.41(15)
O12 Mn1 Mn2 O8 71.66(14)
O7 Mn1 Mn2 O8 1.68(12)
O10 Mn1 Mn2 O8 -75.50(12)
O1 Mn1 Mn2 O8 98.27(11)
Mn4 Mn1 Mn2 O8 -145.58(8)
O19 Mn1 Mn2 O15 -88.24(13)
O18 Mn1 Mn2 O15 -14.42(16)
O12 Mn1 Mn2 O15 157.65(15)
O7 Mn1 Mn2 O15 87.67(13)
O10 Mn1 Mn2 O15 10.49(14)
O1 Mn1 Mn2 O15 -175.74(13)
Mn4 Mn1 Mn2 O15 -59.60(10)
O19 Mn1 Mn2 O1 87.50(12)
O18 Mn1 Mn2 O1 161.32(15)
O12 Mn1 Mn2 O1 -26.61(14)
O7 Mn1 Mn2 O1 -96.59(12)
O10 Mn1 Mn2 O1 -173.77(13)
Mn4 Mn1 Mn2 O1 116.14(8)
O19 Mn1 Mn2 Mn4 -28.64(8)
O18 Mn1 Mn2 Mn4 45.18(12)
O12 Mn1 Mn2 Mn4 -142.76(11)
O7 Mn1 Mn2 Mn4 147.27(9)
O10 Mn1 Mn2 Mn4 70.09(10)
O1 Mn1 Mn2 Mn4 -116.14(8)
C38 C37 N5 C48 -178.1(4)
C42 C37 N5 C48 1.3(4)
C38 C37 N5 C36 2.2(5)
C42 C37 N5 C36 -178.3(3)
C47 C48 N5 C37 176.5(4)
C43 C48 N5 C37 -1.7(4)
C47 C48 N5 C36 -3.8(5)
C43 C48 N5 C36 177.9(3)
P1 C36 N5 C37 89.0(3)
P1 C36 N5 C48 -90.7(3)
C51 C50 N6 C61 179.1(4)
C55 C50 N6 C61 2.5(4)
C51 C50 N6 C49 10.5(6)
C55 C50 N6 C49 -166.1(3)
C60 C61 N6 C50 178.4(4)
C56 C61 N6 C50 -1.3(4)
C60 C61 N6 C49 -12.8(6)
C56 C61 N6 C49 167.4(3)
P2 C49 N6 C50 -97.9(3)
P2 C49 N6 C61 95.3(3)
C63 C62 N2 C73 -0.4(5)
C63 C62 N2 Mn3 -180.0(3)
C65 C73 N2 C62 -2.6(5)
C72 C73 N2 C62 -178.1(3)
C65 C73 N2 Mn3 177.0(3)
C72 C73 N2 Mn3 1.6(4)
O19 Mn3 N2 C62 0.4(2)
O2 Mn3 N2 C62 -137.5(4)
N1 Mn3 N2 C62 179.1(3)
O6 Mn3 N2 C62 94.8(2)
O11 Mn3 N2 C62 -95.6(2)
O19 Mn3 N2 C73 -179.23(18)
O2 Mn3 N2 C73 42.9(6)
N1 Mn3 N2 C73 -0.47(18)
O6 Mn3 N2 C73 -84.82(18)
O11 Mn3 N2 C73 84.77(19)
C70 C71 N1 C72 -1.2(5)
C70 C71 N1 Mn3 174.3(3)
C68 C72 N1 C71 -0.1(5)
C73 C72 N1 C71 177.9(3)
C68 C72 N1 Mn3 -176.2(3)
C73 C72 N1 Mn3 1.8(4)
O2 Mn3 N1 C71 13.9(2)
N2 Mn3 N1 C71 -176.4(3)
O6 Mn3 N1 C71 -88.7(2)
O11 Mn3 N1 C71 100.0(2)
O2 Mn3 N1 C72 -170.4(2)
N2 Mn3 N1 C72 -0.72(18)
O6 Mn3 N1 C72 87.02(19)
O11 Mn3 N1 C72 -84.26(19)
C75 C74 N3 C85 3.2(4)
C75 C74 N3 Mn5 178.8(3)
C77 C85 N3 C74 -2.2(5)
C84 C85 N3 C74 -178.3(3)
C77 C85 N3 Mn5 -178.4(2)
C84 C85 N3 Mn5 5.5(4)
O3 Mn5 N3 C74 -7.6(2)
N4 Mn5 N3 C74 179.0(3)
O5 Mn5 N3 C74 92.6(2)
O14 Mn5 N3 C74 -93.8(2)
O3 Mn5 N3 C85 168.3(3)
N4 Mn5 N3 C85 -5.1(2)
O5 Mn5 N3 C85 -91.5(3)
O14 Mn5 N3 C85 82.1(3)
C82 C83 N4 C84 0.6(5)
C82 C83 N4 Mn5 -179.2(3)
C80 C84 N4 C83 -2.8(5)
C85 C84 N4 C83 177.9(3)
C80 C84 N4 Mn5 176.9(2)
C85 C84 N4 Mn5 -2.3(4)
O20 Mn5 N4 C83 6.9(3)
O3 Mn5 N4 C83 154.5(4)
N3 Mn5 N4 C83 -176.2(3)
O5 Mn5 N4 C83 -88.9(3)
O14 Mn5 N4 C83 100.9(3)
O20 Mn5 N4 C84 -172.9(2)
O3 Mn5 N4 C84 -25.3(6)
N3 Mn5 N4 C84 4.0(2)
O5 Mn5 N4 C84 91.4(2)
O14 Mn5 N4 C84 -78.8(2)
O8 C1 O7 Mn1 5.1(4)
C2 C1 O7 Mn1 -178.5(3)
O18 Mn1 O7 C1 31.7(3)
O12 Mn1 O7 C1 -144.1(3)
O10 Mn1 O7 C1 126.8(3)
O1 Mn1 O7 C1 -53.2(3)
Mn2 Mn1 O7 C1 -4.3(2)
Mn4 Mn1 O7 C1 28.2(3)
O7 C1 O8 Mn2 -1.9(4)
C2 C1 O8 Mn2 -178.6(2)
O18 Mn2 O8 C1 -37.4(2)
O13 Mn2 O8 C1 138.2(2)
O15 Mn2 O8 C1 -128.6(2)
O1 Mn2 O8 C1 46.4(2)
Mn4 Mn2 O8 C1 -40.9(3)
Mn1 Mn2 O8 C1 -0.5(2)
O17 C8 O15 Mn2 -2.2(4)
C9 C8 O15 Mn2 178.0(2)
O18 Mn2 O15 C8 45.6(2)
O20 Mn2 O15 C8 -38.4(2)
O13 Mn2 O15 C8 -139.6(2)
O8 Mn2 O15 C8 133.7(2)
Mn4 Mn2 O15 C8 4.3(2)
Mn1 Mn2 O15 C8 54.3(2)
O15 C8 O17 Mn4 -2.9(5)
C9 C8 O17 Mn4 176.9(2)
O18 Mn4 O17 C8 -36.1(2)
O4 Mn4 O17 C8 137.3(2)
O20 Mn4 O17 C8 47.1(2)
O9 Mn4 O17 C8 -134.9(2)
O19 Mn4 O17 C8 -60.0(4)
Mn2 Mn4 O17 C8 4.6(2)
Mn1 Mn4 O17 C8 -39.0(2)
O16 C15 O9 Mn4 68.4(6)
C16 C15 O9 Mn4 -109.3(4)
O18 Mn4 O9 C15 -17.7(4)
O4 Mn4 O9 C15 168.7(4)
O17 Mn4 O9 C15 69.8(4)
O19 Mn4 O9 C15 -92.1(4)
Mn2 Mn4 O9 C15 -0.1(5)
Mn1 Mn4 O9 C15 -55.5(4)
O11 C22 O12 Mn1 4.0(5)
C23 C22 O12 Mn1 -175.80(18)
O19 Mn1 O12 C22 -9.6(3)
O7 Mn1 O12 C22 169.9(3)
O10 Mn1 O12 C22 -102.0(3)
O1 Mn1 O12 C22 83.0(3)
Mn2 Mn1 O12 C22 102.8(2)
Mn4 Mn1 O12 C22 2.6(4)
O12 C22 O11 Mn3 -13.4(5)
C23 C22 O11 Mn3 166.4(2)
O19 Mn3 O11 C22 26.2(3)
O2 Mn3 O11 C22 -70.3(3)
N1 Mn3 O11 C22 -160.1(3)
N2 Mn3 O11 C22 119.7(3)
O6 Mn3 O11 C22 164.1(3)
O14 C29 O13 Mn2 -10.3(5)
C30 C29 O13 Mn2 170.31(18)
O20 Mn2 O13 C29 -2.6(3)
O8 Mn2 O13 C29 -176.5(3)
O15 Mn2 O13 C29 90.5(3)
O1 Mn2 O13 C29 -87.5(3)
Mn4 Mn2 O13 C29 2.4(4)
Mn1 Mn2 O13 C29 -105.5(2)
O13 C29 O14 Mn5 38.7(4)
C30 C29 O14 Mn5 -141.9(2)
O20 Mn5 O14 C29 -47.1(2)
O3 Mn5 O14 C29 48.0(2)
N3 Mn5 O14 C29 136.8(2)
N4 Mn5 O14 C29 -142.9(2)
O5 Mn5 O14 C29 166.8(4)
O19 Mn1 O1 P1 30.00(18)
O18 Mn1 O1 P1 115.46(18)
O12 Mn1 O1 P1 -71.30(18)
O7 Mn1 O1 P1 -156.91(18)
Mn2 Mn1 O1 P1 126.6(2)
Mn4 Mn1 O1 P1 78.56(16)
O19 Mn1 O1 Mn2 -96.58(10)
O18 Mn1 O1 Mn2 -11.12(9)
O12 Mn1 O1 Mn2 162.12(9)
O7 Mn1 O1 Mn2 76.51(9)
Mn4 Mn1 O1 Mn2 -48.02(5)
O18 Mn2 O1 P1 -116.52(18)
O20 Mn2 O1 P1 -32.04(17)
O13 Mn2 O1 P1 68.87(18)
O8 Mn2 O1 P1 155.29(18)
Mn4 Mn2 O1 P1 -75.16(16)
Mn1 Mn2 O1 P1 -127.86(19)
O18 Mn2 O1 Mn1 11.35(9)
O20 Mn2 O1 Mn1 95.83(9)
O13 Mn2 O1 Mn1 -163.27(10)
O8 Mn2 O1 Mn1 -76.85(10)
Mn4 Mn2 O1 Mn1 52.71(6)
O19 Mn3 O2 P1 -3.5(3)
N1 Mn3 O2 P1 176.6(3)
N2 Mn3 O2 P1 134.2(4)
O6 Mn3 O2 P1 -99.8(2)
O11 Mn3 O2 P1 92.6(2)
O20 Mn5 O3 P1 -27.8(2)
N3 Mn5 O3 P1 155.7(2)
N4 Mn5 O3 P1 -175.5(4)
O5 Mn5 O3 P1 69.4(2)
O14 Mn5 O3 P1 -121.9(2)
O20 Mn4 O4 P2 -63.3(2)
O9 Mn4 O4 P2 125.5(2)
O17 Mn4 O4 P2 -147.99(18)
O19 Mn4 O4 P2 37.6(2)
Mn2 Mn4 O4 P2 -65.0(2)
Mn1 Mn4 O4 P2 27.7(3)
O19 Mn3 O6 P2 -46.7(2)
O2 Mn3 O6 P2 51.4(2)
N1 Mn3 O6 P2 139.4(2)
N2 Mn3 O6 P2 -140.8(2)
O11 Mn3 O6 P2 175.2(3)
O20 Mn5 O5 P2 -8.5(2)
O3 Mn5 O5 P2 -105.08(19)
N3 Mn5 O5 P2 167.3(2)
N4 Mn5 O5 P2 87.2(2)
O14 Mn5 O5 P2 137.5(4)
O20 Mn2 O18 Mn4 9.55(11)
O8 Mn2 O18 Mn4 -175.90(12)
O15 Mn2 O18 Mn4 -82.71(12)
O1 Mn2 O18 Mn4 94.84(11)
Mn1 Mn2 O18 Mn4 108.59(15)
O20 Mn2 O18 Mn1 -99.04(12)
O8 Mn2 O18 Mn1 75.51(12)
O15 Mn2 O18 Mn1 168.70(12)
O1 Mn2 O18 Mn1 -13.75(11)
Mn4 Mn2 O18 Mn1 -108.59(15)
O20 Mn4 O18 Mn2 -9.41(11)
O9 Mn4 O18 Mn2 161.87(12)
O17 Mn4 O18 Mn2 75.41(11)
O19 Mn4 O18 Mn2 -112.32(12)
Mn1 Mn4 O18 Mn2 -108.36(16)
O20 Mn4 O18 Mn1 98.95(13)
O9 Mn4 O18 Mn1 -89.76(13)
O17 Mn4 O18 Mn1 -176.23(12)
O19 Mn4 O18 Mn1 -3.95(10)
Mn2 Mn4 O18 Mn1 108.36(16)
O19 Mn1 O18 Mn2 106.89(13)
O7 Mn1 O18 Mn2 -73.11(12)
O10 Mn1 O18 Mn2 -160.94(11)
O1 Mn1 O18 Mn2 14.11(11)
Mn4 Mn1 O18 Mn2 102.14(15)
O19 Mn1 O18 Mn4 4.75(13)
O7 Mn1 O18 Mn4 -175.25(13)
O10 Mn1 O18 Mn4 96.92(12)
O1 Mn1 O18 Mn4 -88.03(12)
Mn2 Mn1 O18 Mn4 -102.14(16)
O3 Mn5 O20 Mn2 -51.14(17)
N4 Mn5 O20 Mn2 121.60(17)
O5 Mn5 O20 Mn2 -151.90(16)
O14 Mn5 O20 Mn2 35.21(17)
O3 Mn5 O20 Mn4 105.3(2)
N4 Mn5 O20 Mn4 -81.9(2)
O5 Mn5 O20 Mn4 4.6(2)
O14 Mn5 O20 Mn4 -168.3(2)
O18 Mn2 O20 Mn5 155.08(17)
O13 Mn2 O20 Mn5 -19.94(18)
O15 Mn2 O20 Mn5 -113.83(17)
O1 Mn2 O20 Mn5 70.75(16)
Mn4 Mn2 O20 Mn5 164.3(2)
Mn1 Mn2 O20 Mn5 117.98(15)
O18 Mn2 O20 Mn4 -9.24(11)
O13 Mn2 O20 Mn4 175.74(11)
O15 Mn2 O20 Mn4 81.85(12)
O1 Mn2 O20 Mn4 -93.57(10)
Mn1 Mn2 O20 Mn4 -46.34(8)
O18 Mn4 O20 Mn5 -151.7(2)
O4 Mn4 O20 Mn5 20.9(2)
O17 Mn4 O20 Mn5 119.6(2)
O19 Mn4 O20 Mn5 -78.6(2)
Mn2 Mn4 O20 Mn5 -161.0(3)
Mn1 Mn4 O20 Mn5 -114.8(2)
O18 Mn4 O20 Mn2 9.25(11)
O4 Mn4 O20 Mn2 -178.17(11)
O17 Mn4 O20 Mn2 -79.44(11)
O19 Mn4 O20 Mn2 82.39(11)
Mn1 Mn4 O20 Mn2 46.19(8)
O2 Mn3 O19 Mn1 53.67(18)
N2 Mn3 O19 Mn1 -116.21(17)
O6 Mn3 O19 Mn1 156.79(16)
O11 Mn3 O19 Mn1 -33.19(18)
O2 Mn3 O19 Mn4 -76.42(17)
N2 Mn3 O19 Mn4 113.70(16)
O6 Mn3 O19 Mn4 26.70(17)
O11 Mn3 O19 Mn4 -163.28(15)
O12 Mn1 O19 Mn3 29.15(19)
O10 Mn1 O19 Mn3 118.61(17)
O1 Mn1 O19 Mn3 -61.92(17)
Mn2 Mn1 O19 Mn3 -111.22(15)
Mn4 Mn1 O19 Mn3 -142.7(2)
O18 Mn1 O19 Mn4 -3.76(10)
O12 Mn1 O19 Mn4 171.88(10)
O10 Mn1 O19 Mn4 -98.66(10)
O1 Mn1 O19 Mn4 80.81(10)
Mn2 Mn1 O19 Mn4 31.51(8)
O18 Mn4 O19 Mn3 145.36(18)
O4 Mn4 O19 Mn3 -27.25(18)
O20 Mn4 O19 Mn3 65.59(17)
O9 Mn4 O19 Mn3 -115.23(17)
O17 Mn4 O19 Mn3 170.1(2)
Mn2 Mn4 O19 Mn3 107.54(15)
Mn1 Mn4 O19 Mn3 141.4(2)
O18 Mn4 O19 Mn1 3.95(10)
O4 Mn4 O19 Mn1 -168.66(11)
O20 Mn4 O19 Mn1 -75.82(12)
O9 Mn4 O19 Mn1 103.36(12)
O17 Mn4 O19 Mn1 28.7(3)
Mn2 Mn4 O19 Mn1 -33.87(9)
O19 Mn1 O10 C86 -174.3(4)
O18 Mn1 O10 C86 99.8(4)
O12 Mn1 O10 C86 -73.1(4)
O7 Mn1 O10 C86 12.6(4)
Mn2 Mn1 O10 C86 85.1(4)
Mn4 Mn1 O10 C86 136.6(3)
Mn1 O1 P1 O2 1.5(2)
Mn2 O1 P1 O2 108.41(18)
Mn1 O1 P1 O3 -125.98(17)
Mn2 O1 P1 O3 -19.1(2)
Mn1 O1 P1 C36 119.58(14)
Mn2 O1 P1 C36 -133.55(14)
Mn3 O2 P1 O1 -18.9(3)
Mn3 O2 P1 O3 110.3(2)
Mn3 O2 P1 C36 -136.1(2)
Mn5 O3 P1 O1 58.7(2)
Mn5 O3 P1 O2 -71.5(2)
Mn5 O3 P1 C36 173.47(15)
N5 C36 P1 O1 179.9(2)
N5 C36 P1 O2 -56.9(3)
N5 C36 P1 O3 60.0(3)
Mn3 O6 P2 O5 -62.9(2)
Mn3 O6 P2 O4 63.8(2)
Mn3 O6 P2 C49 177.66(14)
Mn5 O5 P2 O6 106.51(19)
Mn5 O5 P2 O4 -21.2(2)
Mn5 O5 P2 C49 -135.44(14)
Mn4 O4 P2 O6 -57.9(2)
Mn4 O4 P2 O5 68.9(2)
Mn4 O4 P2 C49 -173.61(14)
N6 C49 P2 O6 -174.4(2)
N6 C49 P2 O5 64.6(3)
N6 C49 P2 O4 -54.3(3)
