#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:13:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179885 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/81/7018157.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_7018157
loop_
_publ_author_name
'Lama, Prem'
'Sañudo, E Carolina'
'Bharadwaj, Parimal K.'
_publ_section_title
;
 Coordination polymers of Mn(2+) and Dy(3+) ions built with a bent
 tricarboxylate: Metamagnetic and weak anti-ferromagnetic behavior.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2979
_journal_page_last               2985
_journal_paper_doi               10.1039/c2dt11626j
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C105 H63 Mn9 N3 O46'
_chemical_formula_sum            'C105 H63 Mn9 N3 O46'
_chemical_formula_weight         2597.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                102.479(5)
_cell_angle_beta                 95.820(2)
_cell_angle_gamma                97.520(4)
_cell_formula_units_Z            2
_cell_length_a                   10.497(3)
_cell_length_b                   18.382(4)
_cell_length_c                   26.584(3)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.30
_cell_measurement_theta_min      1.97
_cell_volume                     4920.5(19)
_computing_cell_refinement       'SAINT 6.45 ( Bruker, 2003)'
_computing_data_collection       'SMART 5.628 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.45 ( Bruker, 2003)'
_computing_molecular_graphics    'DIAMOND 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_diffrn_measurement_method       /w-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  0.0765
_diffrn_reflns_av_sigmaI/netI    0.1703
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26138
_diffrn_reflns_theta_full        25.30
_diffrn_reflns_theta_max         25.30
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    1.219
_exptl_absorpt_correction_T_max  0.8878
_exptl_absorpt_correction_T_min  0.7926
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2614
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.982
_refine_diff_density_min         -0.645
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1487
_refine_ls_number_reflns         17850
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.1672
_refine_ls_R_factor_gt           0.0737
_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)+(0.0575P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1400
_refine_ls_wR_factor_ref         0.1923
_reflns_number_gt                8009
_reflns_number_total             17850
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11626j.txt
_cod_data_source_block           Complex1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7018157
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
Mn1 Mn -1.02720(12) -1.07167(7) -0.23017(5) 0.0342(3) Uani 1 1 d .
Mn2 Mn -0.84489(12) -0.91360(7) -0.15093(5) 0.0329(3) Uani 1 1 d .
Mn3 Mn -0.65726(13) -0.79929(7) -0.03806(5) 0.0407(4) Uani 1 1 d .
Mn4 Mn -0.70735(13) -0.60260(8) 0.13721(5) 0.0483(4) Uani 1 1 d .
Mn5 Mn -0.51990(14) -0.44243(7) 0.21083(6) 0.0448(4) Uani 1 1 d .
Mn6 Mn 0.0000 -0.5000 0.5000 0.0271(4) Uani 1 2 d S
Mn7 Mn -0.06073(11) -0.32432(6) 0.50313(5) 0.0277(3) Uani 1 1 d .
Mn8 Mn 0.24527(11) -0.25192(6) 0.49407(5) 0.0260(3) Uani 1 1 d .
Mn9 Mn 0.55753(11) -0.17811(6) 0.48978(5) 0.0268(3) Uani 1 1 d .
Mn10 Mn 0.5000 0.0000 0.5000 0.0261(4) Uani 1 2 d S
O1 O -1.0475(6) -1.1128(4) -0.1587(2) 0.0532(17) Uani 1 1 d .
O2 O -0.8645(5) -1.0395(3) -0.1557(2) 0.0400(15) Uani 1 1 d .
O3 O -1.1959(6) -1.1516(3) 0.0039(2) 0.0499(16) Uani 1 1 d .
O4 O -1.0706(5) -1.1034(3) 0.0797(2) 0.0454(16) Uani 1 1 d .
O5 O -0.6315(5) -1.0281(4) 0.0216(2) 0.0541(18) Uani 1 1 d .
O6 O -0.3483(5) -1.1047(3) 0.1074(2) 0.0441(16) Uani 1 1 d .
O7 O -0.5028(6) -1.1395(4) 0.0418(3) 0.070(2) Uani 1 1 d .
O8 O -0.8504(6) -0.7988(3) -0.1539(2) 0.0530(18) Uani 1 1 d .
O9 O -0.7486(6) -0.7331(3) -0.0767(3) 0.0573(19) Uani 1 1 d .
O10 O -0.7537(7) -0.5878(3) -0.0555(3) 0.074(2) Uani 1 1 d .
O11 O -0.4352(7) -0.2851(4) -0.0222(3) 0.072(2) Uani 1 1 d .
O12 O -0.4319(7) -0.3835(4) -0.0852(3) 0.074(2) Uani 1 1 d .
O13 O -0.6617(7) -0.4844(4) 0.1340(2) 0.0588(18) Uani 1 1 d .
O14 O -0.5048(7) -0.3903(4) 0.1422(3) 0.0615(19) Uani 1 1 d .
O15 O -0.5550(7) -0.6032(4) 0.1949(3) 0.067(2) Uani 1 1 d .
O16 O -0.3830(7) -0.5154(4) 0.2050(3) 0.077(2) Uani 1 1 d .
O17 O -0.2174(5) -0.5698(3) 0.2776(2) 0.0468(16) Uani 1 1 d .
O18 O 0.0048(5) -0.4147(3) 0.44932(19) 0.0276(12) Uani 1 1 d .
O19 O 0.1679(5) -0.3442(3) 0.4268(2) 0.0384(14) Uani 1 1 d .
O20 O 0.1979(5) -0.5552(3) 0.2014(2) 0.0409(15) Uani 1 1 d .
O21 O 0.3293(6) -0.4564(3) 0.2537(2) 0.0494(16) Uani 1 1 d .
O22 O -0.1364(5) -0.4340(3) 0.5315(2) 0.0438(16) Uani 1 1 d .
O23 O -0.2546(5) -0.3452(3) 0.5343(2) 0.0418(15) Uani 1 1 d .
O24 O -0.5590(5) -0.7064(3) 0.5510(2) 0.0322(13) Uani 1 1 d .
O25 O -0.4080(5) -0.6936(3) 0.4997(2) 0.0314(13) Uani 1 1 d .
O26 O -0.6438(5) -0.4453(3) 0.6174(2) 0.0380(14) Uani 1 1 d .
O27 O -0.8636(5) -0.3117(3) 0.54672(19) 0.0277(12) Uani 1 1 d .
O28 O -0.8557(5) -0.4278(3) 0.5571(2) 0.0366(14) Uani 1 1 d .
O29 O 0.3159(5) -0.1610(3) 0.5620(2) 0.0330(13) Uani 1 1 d .
O30 O 0.4868(5) -0.0898(3) 0.54481(19) 0.0272(12) Uani 1 1 d .
O31 O 0.1097(5) -0.0508(3) 0.7216(2) 0.0422(15) Uani 1 1 d .
O32 O 0.2194(5) 0.0553(3) 0.7747(2) 0.0367(14) Uani 1 1 d .
O33 O 0.6576(5) 0.0859(3) 0.7134(2) 0.0391(14) Uani 1 1 d .
O34 O 0.7969(5) -0.0184(3) 0.7515(2) 0.0494(17) Uani 1 1 d .
O35 O 0.9554(6) 0.0459(3) 0.8091(2) 0.0522(18) Uani 1 1 d .
O36 O 0.7500(5) -0.1575(3) 0.4544(2) 0.0393(15) Uani 1 1 d .
O37 O 0.6399(5) -0.0642(3) 0.4704(2) 0.0446(16) Uani 1 1 d .
O38 O 0.9198(5) 0.1977(3) 0.5117(2) 0.0339(14) Uani 1 1 d .
O39 O 1.0547(5) 0.2116(3) 0.4536(2) 0.0389(15) Uani 1 1 d .
O40 O 1.1500(5) -0.0445(3) 0.3828(2) 0.0348(14) Uani 1 1 d .
O41 O 1.3592(5) -0.0709(3) 0.4410(2) 0.0365(14) Uani 1 1 d .
O42 O 1.3635(5) -0.1905(3) 0.44454(19) 0.0291(13) Uani 1 1 d .
N1 N -1.0896(7) -1.1886(4) -0.2747(3) 0.0385(18) Uani 1 1 d .
N2 N -0.8995(8) -0.6418(5) 0.0845(3) 0.057(2) Uani 1 1 d .
N3 N -0.4321(7) -0.3329(4) 0.2591(3) 0.047(2) Uani 1 1 d .
C1 C -0.9421(9) -1.0767(5) -0.1330(3) 0.038(2) Uani 1 1 d .
C2 C -0.9078(8) -1.0776(4) -0.0774(3) 0.033(2) Uani 1 1 d .
C3 C -0.7845(8) -1.0528(4) -0.0527(3) 0.035(2) Uani 1 1 d .
H3 H -0.7171 -1.0378 -0.0714 0.042 Uiso 1 1 calc R
C4 C -0.7586(8) -1.0495(5) -0.0004(3) 0.040(2) Uani 1 1 d .
C5 C -0.8576(8) -1.0694(5) 0.0274(3) 0.040(2) Uani 1 1 d .
H5 H -0.8399 -1.0641 0.0639 0.048 Uiso 1 1 calc R
C6 C -0.9838(8) -1.0974(4) 0.0017(3) 0.0316(19) Uani 1 1 d .
C7 C -1.0887(9) -1.1192(5) 0.0316(4) 0.037(2) Uani 1 1 d .
C8 C -1.0050(9) -1.1023(4) -0.0516(3) 0.038(2) Uani 1 1 d .
H8 H -1.0883 -1.1232 -0.0704 0.046 Uiso 1 1 calc R
C9 C -0.6013(8) -0.9972(5) 0.0753(4) 0.044(2) Uani 1 1 d .
C10 C -0.5130(7) -1.0261(5) 0.1054(3) 0.035(2) Uani 1 1 d .
C11 C -0.4523(9) -1.0939(5) 0.0829(4) 0.045(2) Uani 1 1 d .
C12 C -0.4792(9) -0.9913(5) 0.1569(3) 0.046(2) Uani 1 1 d .
H12 H -0.4156 -1.0090 0.1772 0.055 Uiso 1 1 calc R
C13 C -0.5358(9) -0.9306(5) 0.1803(4) 0.056(3) Uani 1 1 d .
H13 H -0.5155 -0.9090 0.2165 0.068 Uiso 1 1 calc R
C14 C -0.6216(10) -0.9027(6) 0.1499(5) 0.072(4) Uani 1 1 d .
H14 H -0.6588 -0.8604 0.1654 0.086 Uiso 1 1 calc R
C15 C -0.6552(9) -0.9339(6) 0.0978(5) 0.065(3) Uani 1 1 d .
H15 H -0.7137 -0.9132 0.0773 0.078 Uiso 1 1 calc R
C16 C -0.8262(9) -0.7403(5) -0.1178(4) 0.046(2) Uani 1 1 d .
C17 C -0.8962(8) -0.6748(5) -0.1233(3) 0.039(2) Uani 1 1 d .
C18 C -1.0073(10) -0.6884(6) -0.1578(4) 0.066(3) Uani 1 1 d .
H18 H -1.0351 -0.7381 -0.1784 0.079 Uiso 1 1 calc R
C19 C -1.0810(11) -0.6333(6) -0.1641(5) 0.079(4) Uani 1 1 d .
H19 H -1.1571 -0.6449 -0.1887 0.094 Uiso 1 1 calc R
C20 C -1.0422(11) -0.5611(6) -0.1340(5) 0.084(4) Uani 1 1 d .
H20 H -1.0913 -0.5222 -0.1378 0.101 Uiso 1 1 calc R
C21 C -0.9305(10) -0.5456(5) -0.0981(4) 0.067(3) Uani 1 1 d .
H21 H -0.9029 -0.4960 -0.0772 0.080 Uiso 1 1 calc R
C22 C -0.8609(9) -0.6020(5) -0.0930(4) 0.045(2) Uani 1 1 d .
C23 C -0.6990(9) -0.5156(5) -0.0279(4) 0.050(3) Uani 1 1 d .
C24 C -0.6313(9) -0.4667(5) -0.0515(4) 0.053(3) Uani 1 1 d .
H24 H -0.6346 -0.4764 -0.0883 0.063 Uiso 1 1 calc R
C25 C -0.5566(9) -0.4015(5) -0.0187(3) 0.039(2) Uani 1 1 d .
C26 C -0.4687(9) -0.3530(6) -0.0439(4) 0.050(3) Uani 1 1 d .
C27 C -0.5523(9) -0.3903(5) 0.0350(4) 0.047(2) Uani 1 1 d .
H27 H -0.5001 -0.3464 0.0567 0.057 Uiso 1 1 calc R
C28 C -0.6208(9) -0.4405(5) 0.0577(4) 0.043(2) Uani 1 1 d .
C29 C -0.5951(10) -0.4369(5) 0.1154(4) 0.043(2) Uani 1 1 d .
C30 C -0.6976(9) -0.5013(5) 0.0257(4) 0.052(3) Uani 1 1 d .
H30 H -0.7514 -0.5348 0.0402 0.063 Uiso 1 1 calc R
C31 C -0.4330(11) -0.5826(7) 0.2003(4) 0.056(3) Uani 1 1 d .
C32 C -0.3489(8) -0.6418(5) 0.2019(3) 0.039(2) Uani 1 1 d .
C33 C -0.3799(9) -0.7101(6) 0.1646(4) 0.057(3) Uani 1 1 d .
H33 H -0.4514 -0.7168 0.1382 0.068 Uiso 1 1 calc R
C34 C -0.3097(11) -0.7676(6) 0.1654(4) 0.068(3) Uani 1 1 d .
H34 H -0.3361 -0.8147 0.1411 0.082 Uiso 1 1 calc R
C35 C -0.2019(10) -0.7577(6) 0.2008(4) 0.065(3) Uani 1 1 d .
H35 H -0.1492 -0.7962 0.1995 0.079 Uiso 1 1 calc R
C36 C -0.1700(9) -0.6917(5) 0.2385(4) 0.051(3) Uani 1 1 d .
H36 H -0.0991 -0.6860 0.2650 0.061 Uiso 1 1 calc R
C37 C -0.2405(8) -0.6339(5) 0.2379(3) 0.041(2) Uani 1 1 d .
C38 C -0.0909(8) -0.5340(4) 0.2939(3) 0.032(2) Uani 1 1 d .
C39 C -0.0630(8) -0.4927(4) 0.3451(3) 0.032(2) Uani 1 1 d .
H39 H -0.1268 -0.4940 0.3680 0.039 Uiso 1 1 calc R
C40 C 0.0586(8) -0.4495(4) 0.3629(3) 0.0286(19) Uani 1 1 d .
C41 C 0.0796(8) -0.3995(4) 0.4168(3) 0.0270(19) Uani 1 1 d .
C42 C 0.1521(8) -0.4529(4) 0.3296(3) 0.0302(19) Uani 1 1 d .
H42 H 0.2362 -0.4247 0.3419 0.036 Uiso 1 1 calc R
C43 C 0.1266(8) -0.4965(4) 0.2784(3) 0.0293(19) Uani 1 1 d .
C44 C 0.2256(8) -0.5024(5) 0.2423(3) 0.035(2) Uani 1 1 d .
C45 C 0.0020(8) -0.5361(4) 0.2622(3) 0.033(2) Uani 1 1 d .
H45 H -0.0187 -0.5658 0.2275 0.040 Uiso 1 1 calc R
C46 C -0.2438(8) -0.4092(5) 0.5394(3) 0.0315(19) Uani 1 1 d .
C47 C -0.3510(7) -0.4587(4) 0.5528(3) 0.0271(18) Uani 1 1 d .
C48 C -0.3596(7) -0.5369(4) 0.5390(3) 0.0297(19) Uani 1 1 d .
H48 H -0.2950 -0.5591 0.5213 0.036 Uiso 1 1 calc R
C49 C -0.4627(7) -0.5821(4) 0.5513(3) 0.0210(17) Uani 1 1 d .
C50 C -0.4765(7) -0.6654(4) 0.5332(3) 0.0247(18) Uani 1 1 d .
C51 C -0.5517(7) -0.5496(4) 0.5794(3) 0.0304(19) Uani 1 1 d .
H51 H -0.6191 -0.5806 0.5897 0.036 Uiso 1 1 calc R
C52 C -0.5441(7) -0.4718(4) 0.5928(3) 0.0306(19) Uani 1 1 d .
C53 C -0.4447(7) -0.4248(4) 0.5787(3) 0.0274(19) Uani 1 1 d .
H53 H -0.4412 -0.3716 0.5865 0.033 Uiso 1 1 calc R
C54 C -0.6350(7) -0.3682(4) 0.6387(3) 0.0279(19) Uani 1 1 d .
C55 C -0.7199(8) -0.3278(4) 0.6177(3) 0.0291(19) Uani 1 1 d .
C56 C -0.8176(7) -0.3584(4) 0.5705(3) 0.0266(18) Uani 1 1 d .
C57 C -0.7142(8) -0.2524(4) 0.6439(3) 0.038(2) Uani 1 1 d .
H57 H -0.7716 -0.2227 0.6310 0.045 Uiso 1 1 calc R
C58 C -0.6270(9) -0.2205(4) 0.6878(3) 0.043(2) Uani 1 1 d .
H58 H -0.6258 -0.1695 0.7053 0.052 Uiso 1 1 calc R
C59 C -0.5416(8) -0.2621(5) 0.7066(3) 0.042(2) Uani 1 1 d .
H59 H -0.4795 -0.2394 0.7362 0.050 Uiso 1 1 calc R
C60 C -0.5460(8) -0.3361(5) 0.6825(3) 0.038(2) Uani 1 1 d .
H60 H -0.4884 -0.3653 0.6957 0.045 Uiso 1 1 calc R
C61 C 0.4007(8) -0.1048(4) 0.5736(3) 0.0249(18) Uani 1 1 d .
C62 C 0.4080(7) -0.0503(4) 0.6256(3) 0.0273(19) Uani 1 1 d .
C63 C 0.3036(7) -0.0512(4) 0.6538(3) 0.0289(19) Uani 1 1 d .
H63 H 0.2251 -0.0848 0.6401 0.035 Uiso 1 1 calc R
C64 C 0.3154(7) -0.0022(4) 0.7025(3) 0.0239(17) Uani 1 1 d .
C65 C 0.2075(8) 0.0005(4) 0.7353(3) 0.0309(19) Uani 1 1 d .
C66 C 0.4328(8) 0.0441(4) 0.7236(3) 0.034(2) Uani 1 1 d .
H66 H 0.4418 0.0761 0.7574 0.041 Uiso 1 1 calc R
C67 C 0.5363(7) 0.0434(4) 0.6952(3) 0.0280(19) Uani 1 1 d .
C68 C 0.5235(7) -0.0028(4) 0.6459(3) 0.0283(18) Uani 1 1 d .
H68 H 0.5938 -0.0019 0.6261 0.034 Uiso 1 1 calc R
C69 C 0.6802(8) 0.1251(5) 0.7647(3) 0.037(2) Uani 1 1 d .
C70 C 0.7697(8) 0.1040(4) 0.7989(3) 0.034(2) Uani 1 1 d .
C71 C 0.8427(9) 0.0403(5) 0.7848(3) 0.037(2) Uani 1 1 d .
C72 C 0.7947(9) 0.1467(5) 0.8508(3) 0.048(2) Uani 1 1 d .
H72 H 0.8589 0.1349 0.8743 0.057 Uiso 1 1 calc R
C73 C 0.7281(9) 0.2049(5) 0.8681(4) 0.058(3) Uani 1 1 d .
H73 H 0.7416 0.2308 0.9037 0.070 Uiso 1 1 calc R
C74 C 0.6409(9) 0.2254(5) 0.8328(4) 0.060(3) Uani 1 1 d .
H74 H 0.5942 0.2654 0.8444 0.072 Uiso 1 1 calc R
C75 C 0.6213(9) 0.1884(5) 0.7809(4) 0.049(3) Uani 1 1 d .
H75 H 0.5681 0.2059 0.7565 0.059 Uiso 1 1 calc R
C76 C 0.7428(7) -0.0896(4) 0.4582(3) 0.0269(18) Uani 1 1 d .
C77 C 0.8537(7) -0.0381(4) 0.4466(3) 0.0235(18) Uani 1 1 d .
C78 C 0.8636(7) 0.0402(4) 0.4651(3) 0.0249(18) Uani 1 1 d .
H78 H 0.8008 0.0607 0.4849 0.030 Uiso 1 1 calc R
C79 C 0.9649(7) 0.0866(4) 0.4544(3) 0.0251(18) Uani 1 1 d .
C80 C 0.9798(7) 0.1701(4) 0.4742(3) 0.0287(19) Uani 1 1 d .
C81 C 1.0558(7) 0.0565(4) 0.4249(3) 0.0295(19) Uani 1 1 d .
H81 H 1.1234 0.0893 0.4161 0.035 Uiso 1 1 calc R
C82 C 1.0484(7) -0.0205(4) 0.4082(3) 0.0241(17) Uani 1 1 d .
C83 C 0.9489(7) -0.0691(4) 0.4186(3) 0.0268(18) Uani 1 1 d .
H83 H 0.9441 -0.1221 0.4072 0.032 Uiso 1 1 calc R
C84 C 1.1392(7) -0.1205(4) 0.3590(3) 0.0298(19) Uani 1 1 d .
C85 C 1.2196(7) -0.1654(4) 0.3767(3) 0.0275(19) Uani 1 1 d .
C86 C 1.3186(7) -0.1401(4) 0.4239(3) 0.0266(18) Uani 1 1 d .
C87 C 1.2072(8) -0.2406(5) 0.3489(3) 0.044(2) Uani 1 1 d .
H87 H 1.2616 -0.2731 0.3600 0.053 Uiso 1 1 calc R
C88 C 1.1154(10) -0.2675(5) 0.3052(4) 0.062(3) Uani 1 1 d .
H88 H 1.1066 -0.3187 0.2869 0.075 Uiso 1 1 calc R
C89 C 1.0380(9) -0.2218(6) 0.2881(4) 0.059(3) Uani 1 1 d .
H89 H 0.9756 -0.2410 0.2581 0.071 Uiso 1 1 calc R
C90 C 1.0502(8) -0.1473(5) 0.3145(3) 0.041(2) Uani 1 1 d .
H90 H 0.9978 -0.1146 0.3023 0.049 Uiso 1 1 calc R
C91 C -1.0517(9) -1.2137(5) -0.3222(4) 0.048(2) Uani 1 1 d .
H91 H -1.0043 -1.1783 -0.3374 0.057 Uiso 1 1 calc R
C92 C -1.0786(10) -1.2873(6) -0.3489(4) 0.058(3) Uani 1 1 d .
H92 H -1.0480 -1.3033 -0.3813 0.070 Uiso 1 1 calc R
C93 C -1.1508(10) -1.3375(5) -0.3278(4) 0.053(3) Uani 1 1 d .
H93 H -1.1721 -1.3891 -0.3458 0.064 Uiso 1 1 calc R
C94 C -1.1928(9) -1.3134(5) -0.2803(4) 0.060(3) Uani 1 1 d .
H94 H -1.2437 -1.3478 -0.2656 0.072 Uiso 1 1 calc R
C95 C -1.1598(9) -1.2382(5) -0.2546(4) 0.049(3) Uani 1 1 d .
H95 H -1.1878 -1.2216 -0.2218 0.059 Uiso 1 1 calc R
C96 C -0.9108(10) -0.6726(6) 0.0326(4) 0.060(3) Uani 1 1 d .
H96 H -0.8342 -0.6739 0.0164 0.072 Uiso 1 1 calc R
C97 C -1.0282(12) -0.7018(7) 0.0025(4) 0.076(3) Uani 1 1 d .
H97 H -1.0318 -0.7209 -0.0339 0.091 Uiso 1 1 calc R
C98 C -1.1378(13) -0.7034(8) 0.0245(5) 0.081(5) Uani 1 1 d .
H98 H -1.2194 -0.7246 0.0043 0.118 Uiso 1 1 calc R
C99 C -1.1291(11) -0.6740(8) 0.0766(5) 0.079(4) Uani 1 1 d .
H99 H -1.2051 -0.6731 0.0932 0.116 Uiso 1 1 calc R
C100 C -1.0089(12) -0.6456(7) 0.1050(4) 0.073(4) Uani 1 1 d .
H100 H -1.0045 -0.6276 0.1415 0.100 Uiso 1 1 calc R
C101 C -0.4609(10) -0.3084(6) 0.3077(4) 0.059(3) Uani 1 1 d .
H101 H -0.5170 -0.3412 0.3219 0.070 Uiso 1 1 calc R
C102 C -0.4117(11) -0.2380(6) 0.3369(4) 0.072(3) Uani 1 1 d .
H102 H -0.4358 -0.2218 0.3705 0.087 Uiso 1 1 calc R
C103 C -0.3291(11) -0.1914(6) 0.3184(4) 0.066(3) Uani 1 1 d .
H103 H -0.2920 -0.1429 0.3391 0.080 Uiso 1 1 calc R
C104 C -0.2992(9) -0.2151(6) 0.2688(5) 0.058(3) Uani 1 1 d .
H104 H -0.2428 -0.1826 0.2545 0.069 Uiso 1 1 calc R
C105 C -0.3505(9) -0.2847(5) 0.2407(4) 0.054(3) Uani 1 1 d .
H105 H -0.3287 -0.3007 0.2066 0.064 Uiso 1 1 calc R
O1W O -0.7338(10) -0.7346(4) 0.1248(4) 0.082(4) Uani 1 1 d D
H2W1 H -0.7954 -0.7545 0.1010 0.102 Uiso 1 1 calc RD
O2W O -0.1760(6) -0.3039(4) 0.4363(2) 0.0450(16) Uani 1 1 d D
H2W2 H -0.2462 -0.2912 0.4450 0.068 Uiso 1 1 calc RD
O3W O 0.6639(6) -0.1969(4) 0.5570(3) 0.0459(16) Uani 1 1 d D
O4W O 0.6736(9) -0.1349(5) 0.6616(3) 0.108(4) Uani 1 1 d .
H1W1 H -0.669(10) -0.755(18) 0.115(8) 0.13(3) Uiso 1 1 d D
H1W2 H -0.147(7) -0.277(5) 0.417(4) 0.05(5) Uiso 1 1 d D
H1W3 H 0.656(8) -0.180(4) 0.5887(12) 0.05(3) Uiso 1 1 d D
H2W3 H 0.710(8) -0.231(4) 0.549(4) 0.08(4) Uiso 1 1 d 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'
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
O31 Mn1 N1 92.8(3) 1_444 .
O31 Mn1 O1 140.7(2) 1_444 .
N1 Mn1 O1 87.9(3) . .
O31 Mn1 O35 100.4(2) 1_444 1_344
N1 Mn1 O35 158.2(2) . 1_344
O1 Mn1 O35 92.7(2) . 1_344
O31 Mn1 O34 110.0(2) 1_444 1_344
N1 Mn1 O34 101.4(2) . 1_344
O1 Mn1 O34 108.3(2) . 1_344
O35 Mn1 O34 57.8(2) 1_344 1_344
O31 Mn1 O2 91.4(2) 1_444 .
N1 Mn1 O2 122.1(2) . .
O1 Mn1 O2 56.4(2) . .
O35 Mn1 O2 75.2(2) 1_344 .
O34 Mn1 O2 130.6(2) 1_344 .
O31 Mn1 C71 108.4(3) 1_444 1_344
N1 Mn1 C71 129.5(3) . 1_344
O1 Mn1 C71 101.0(3) . 1_344
O35 Mn1 C71 29.2(2) 1_344 1_344
O34 Mn1 C71 28.6(2) 1_344 1_344
O2 Mn1 C71 103.1(2) . 1_344
O8 Mn2 O32 94.9(2) . 1_444
O8 Mn2 O4 90.6(2) . 2_335
O32 Mn2 O4 171.9(2) 1_444 2_335
O8 Mn2 O6 96.9(2) . 2_435
O32 Mn2 O6 94.6(2) 1_444 2_435
O4 Mn2 O6 90.6(2) 2_335 2_435
O8 Mn2 O35 94.2(2) . 1_344
O32 Mn2 O35 87.3(2) 1_444 1_344
O4 Mn2 O35 86.4(2) 2_335 1_344
O6 Mn2 O35 168.6(2) 2_435 1_344
O8 Mn2 O2 172.1(2) . .
O32 Mn2 O2 83.1(2) 1_444 .
O4 Mn2 O2 90.7(2) 2_335 .
O6 Mn2 O2 90.9(2) 2_435 .
O35 Mn2 O2 78.1(2) 1_344 .
O9 Mn3 O11 96.5(3) . 2_445
O9 Mn3 O3 102.8(3) . 2_335
O11 Mn3 O3 101.6(3) 2_445 2_335
O9 Mn3 O7 140.6(3) . 2_435
O11 Mn3 O7 94.1(3) 2_445 2_435
O3 Mn3 O7 112.0(3) 2_335 2_435
O9 Mn3 O6 97.8(2) . 2_435
O11 Mn3 O6 150.5(3) 2_445 2_435
O3 Mn3 O6 100.1(2) 2_335 2_435
O7 Mn3 O6 59.1(2) 2_435 2_435
O9 Mn3 C11 123.2(3) . 2_435
O11 Mn3 C11 123.0(3) 2_445 2_435
O3 Mn3 C11 106.4(3) 2_335 2_435
O7 Mn3 C11 29.3(2) 2_435 2_435
O6 Mn3 C11 30.0(2) 2_435 2_435
O15 Mn4 O12 85.4(3) . 2_445
O15 Mn4 O20 84.6(2) . 1_455
O12 Mn4 O20 160.7(3) 2_445 1_455
O15 Mn4 O13 97.8(3) . .
O12 Mn4 O13 82.7(3) 2_445 .
O20 Mn4 O13 82.4(2) 1_455 .
O15 Mn4 N2 158.4(3) . .
O12 Mn4 N2 103.5(3) 2_445 .
O20 Mn4 N2 91.7(3) 1_455 .
O13 Mn4 N2 102.8(3) . .
O15 Mn4 O1W 84.4(3) . .
O12 Mn4 O1W 85.5(4) 2_445 .
O20 Mn4 O1W 109.9(3) 1_455 .
O13 Mn4 O1W 167.7(4) . .
N2 Mn4 O1W 76.9(3) . .
O21 Mn5 O16 120.8(3) 1_455 .
O21 Mn5 N3 95.0(3) 1_455 .
O16 Mn5 N3 109.7(3) . .
O21 Mn5 O14 130.7(3) 1_455 .
O16 Mn5 O14 104.3(3) . .
N3 Mn5 O14 87.0(3) . .
O21 Mn5 O13 90.7(2) 1_455 .
O16 Mn5 O13 104.9(3) . .
N3 Mn5 O13 135.3(3) . .
O14 Mn5 O13 57.1(2) . .
O21 Mn5 C29 113.6(3) 1_455 .
O16 Mn5 C29 105.0(3) . .
N3 Mn5 C29 112.6(3) . .
O14 Mn5 C29 28.3(2) . .
O13 Mn5 C29 28.9(3) . .
O22 Mn6 O22 180.0(3) . 2_546
O22 Mn6 O28 92.2(2) . 2_446
O22 Mn6 O28 87.8(2) 2_546 2_446
O22 Mn6 O28 87.8(2) . 1_655
O22 Mn6 O28 92.2(2) 2_546 1_655
O28 Mn6 O28 180.0(3) 2_446 1_655
O22 Mn6 O18 100.2(2) . 2_546
O22 Mn6 O18 79.8(2) 2_546 2_546
O28 Mn6 O18 91.59(19) 2_446 2_546
O28 Mn6 O18 88.41(19) 1_655 2_546
O22 Mn6 O18 79.8(2) . .
O22 Mn6 O18 100.2(2) 2_546 .
O28 Mn6 O18 88.41(19) 2_446 .
O28 Mn6 O18 91.59(19) 1_655 .
O18 Mn6 O18 180.000(1) 2_546 .
O39 Mn7 O2W 92.0(2) 2_656 .
O39 Mn7 O18 155.7(2) 2_656 .
O2W Mn7 O18 87.4(2) . .
O39 Mn7 O27 83.27(19) 2_656 1_655
O2W Mn7 O27 146.4(2) . 1_655
O18 Mn7 O27 83.88(18) . 1_655
O39 Mn7 O23 83.6(2) 2_656 .
O2W Mn7 O23 85.3(2) . .
O18 Mn7 O23 120.4(2) . .
O27 Mn7 O23 126.8(2) 1_655 .
O39 Mn7 O22 124.7(2) 2_656 .
O2W Mn7 O22 116.5(2) . .
O18 Mn7 O22 76.44(19) . .
O27 Mn7 O22 92.85(19) 1_655 .
O23 Mn7 O22 55.42(18) . .
O25 Mn8 O38 179.4(2) 2_546 2_656
O25 Mn8 O29 94.8(2) 2_546 .
O38 Mn8 O29 85.2(2) 2_656 .
O25 Mn8 O19 86.4(2) 2_546 .
O38 Mn8 O19 93.6(2) 2_656 .
O29 Mn8 O19 178.0(2) . .
O25 Mn8 O27 94.9(2) 2_546 1_655
O38 Mn8 O27 84.5(2) 2_656 1_655
O29 Mn8 O27 87.36(19) . 1_655
O19 Mn8 O27 91.0(2) . 1_655
O25 Mn8 O42 83.2(2) 2_546 1_455
O38 Mn8 O42 97.4(2) 2_656 1_455
O29 Mn8 O42 90.53(19) . 1_455
O19 Mn8 O42 91.2(2) . 1_455
O27 Mn8 O42 177.03(18) 1_655 1_455
O3W Mn9 O24 90.2(2) . 2_546
O3W Mn9 O30 85.0(2) . .
O24 Mn9 O30 154.0(2) 2_546 .
O3W Mn9 O42 145.8(2) . 1_455
O24 Mn9 O42 85.64(18) 2_546 1_455
O30 Mn9 O42 84.13(18) . 1_455
O3W Mn9 O36 90.0(2) . .
O24 Mn9 O36 82.17(19) 2_546 .
O30 Mn9 O36 123.25(19) . .
O42 Mn9 O36 122.8(2) 1_455 .
O3W Mn9 O37 112.3(2) . .
O24 Mn9 O37 130.4(2) 2_546 .
O30 Mn9 O37 74.5(2) . .
O42 Mn9 O37 95.74(19) 1_455 .
O36 Mn9 O37 55.66(18) . .
O37 Mn10 O37 180.0(3) . 2_656
O37 Mn10 O41 88.5(2) . 1_455
O37 Mn10 O41 91.5(2) 2_656 1_455
O37 Mn10 O41 91.5(2) . 2_756
O37 Mn10 O41 88.5(2) 2_656 2_756
O41 Mn10 O41 180.000(1) 1_455 2_756
O37 Mn10 O30 78.5(2) . .
O37 Mn10 O30 101.5(2) 2_656 .
O41 Mn10 O30 89.06(19) 1_455 .
O41 Mn10 O30 90.94(19) 2_756 .
O37 Mn10 O30 101.5(2) . 2_656
O37 Mn10 O30 78.5(2) 2_656 2_656
O41 Mn10 O30 90.94(19) 1_455 2_656
O41 Mn10 O30 89.06(19) 2_756 2_656
O30 Mn10 O30 180.000(1) . 2_656
C1 O1 Mn1 96.8(5) . .
C1 O2 Mn2 125.8(5) . .
C1 O2 Mn1 88.0(5) . .
Mn2 O2 Mn1 93.90(19) . .
C7 O3 Mn3 119.7(6) . 2_335
C7 O4 Mn2 147.4(6) . 2_335
C4 O5 C9 119.9(7) . .
C11 O6 Mn2 162.5(6) . 2_435
C11 O6 Mn3 86.7(5) . 2_435
Mn2 O6 Mn3 104.0(2) 2_435 2_435
C11 O7 Mn3 93.5(5) . 2_435
C16 O8 Mn2 129.5(6) . .
C16 O9 Mn3 138.6(6) . .
C22 O10 C23 122.7(7) . .
C26 O11 Mn3 152.1(7) . 2_445
C26 O12 Mn4 152.7(7) . 2_445
C29 O13 Mn4 146.5(6) . .
C29 O13 Mn5 88.2(6) . .
Mn4 O13 Mn5 98.1(2) . .
C29 O14 Mn5 92.4(6) . .
C31 O15 Mn4 133.6(7) . .
C31 O16 Mn5 112.4(7) . .
C37 O17 C38 118.7(6) . .
C41 O18 Mn7 120.4(5) . .
C41 O18 Mn6 132.6(4) . .
Mn7 O18 Mn6 97.8(2) . .
C41 O19 Mn8 136.1(5) . .
C44 O20 Mn4 137.4(5) . 1_655
C44 O21 Mn5 129.7(6) . 1_655
C46 O22 Mn6 161.9(5) . .
C46 O22 Mn7 90.0(5) . .
Mn6 O22 Mn7 96.7(2) . .
C46 O23 Mn7 95.4(5) . .
C50 O24 Mn9 106.5(5) . 2_546
C50 O25 Mn8 132.0(5) . 2_546
C52 O26 C54 119.5(6) . .
C56 O27 Mn7 127.6(4) . 1_455
C56 O27 Mn8 124.1(4) . 1_455
Mn7 O27 Mn8 97.0(2) 1_455 1_455
C56 O28 Mn6 135.4(5) . 1_455
C61 O29 Mn8 136.8(5) . .
C61 O30 Mn9 122.5(5) . .
C61 O30 Mn10 127.9(4) . .
Mn9 O30 Mn10 98.8(2) . .
C65 O31 Mn1 123.7(5) . 1_666
C65 O32 Mn2 141.6(5) . 1_666
C69 O33 C67 117.7(6) . .
C71 O34 Mn1 91.0(5) . 1_766
C71 O35 Mn2 165.0(6) . 1_766
C71 O35 Mn1 91.8(5) . 1_766
Mn2 O35 Mn1 100.5(2) 1_766 1_766
C76 O36 Mn9 92.3(5) . .
C76 O37 Mn10 166.8(5) . .
C76 O37 Mn9 91.1(5) . .
Mn10 O37 Mn9 98.1(2) . .
C80 O38 Mn8 126.4(5) . 2_656
C80 O39 Mn7 106.1(5) . 2_656
C84 O40 C82 118.0(6) . .
C86 O41 Mn10 138.4(5) . 1_655
C86 O42 Mn9 126.1(5) . 1_655
C86 O42 Mn8 121.0(4) . 1_655
Mn9 O42 Mn8 98.6(2) 1_655 1_655
C95 N1 C91 118.0(7) . .
C95 N1 Mn1 120.6(6) . .
C91 N1 Mn1 121.3(6) . .
C100 N2 C96 115.4(9) . .
C100 N2 Mn4 119.7(7) . .
C96 N2 Mn4 124.2(7) . .
C101 N3 C105 117.2(8) . .
C101 N3 Mn5 121.7(6) . .
C105 N3 Mn5 121.0(7) . .
O1 C1 O2 118.6(8) . .
O1 C1 C2 121.0(8) . .
O2 C1 C2 120.4(8) . .
C3 C2 C8 121.1(8) . .
C3 C2 C1 121.1(8) . .
C8 C2 C1 117.8(8) . .
C2 C3 C4 119.4(8) . .
C2 C3 H3 120.3 . .
C4 C3 H3 120.3 . .
O5 C4 C3 116.7(8) . .
O5 C4 C5 122.8(8) . .
C3 C4 C5 120.5(8) . .
C4 C5 C6 120.1(8) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C8 C6 C5 117.5(8) . .
C8 C6 C7 122.7(8) . .
C5 C6 C7 119.8(8) . .
O4 C7 O3 124.7(8) . .
O4 C7 C6 120.5(8) . .
O3 C7 C6 114.8(8) . .
C2 C8 C6 121.2(8) . .
C2 C8 H8 119.4 . .
C6 C8 H8 119.4 . .
C10 C9 O5 120.5(8) . .
C10 C9 C15 120.3(9) . .
O5 C9 C15 119.1(8) . .
C12 C10 C9 118.8(8) . .
C12 C10 C11 119.0(8) . .
C9 C10 C11 122.2(8) . .
O7 C11 O6 120.0(8) . .
O7 C11 C10 121.4(8) . .
O6 C11 C10 118.6(8) . .
O7 C11 Mn3 57.2(5) . 2_435
O6 C11 Mn3 63.2(4) . 2_435
C10 C11 Mn3 174.0(7) . 2_435
C10 C12 C13 121.5(9) . .
C10 C12 H12 119.2 . .
C13 C12 H12 119.2 . .
C14 C13 C12 118.6(10) . .
C14 C13 H13 120.7 . .
C12 C13 H13 120.7 . .
C15 C14 C13 122.0(9) . .
C15 C14 H14 119.0 . .
C13 C14 H14 119.0 . .
C14 C15 C9 118.6(9) . .
C14 C15 H15 120.7 . .
C9 C15 H15 120.7 . .
O8 C16 O9 124.0(9) . .
O8 C16 C17 117.9(8) . .
O9 C16 C17 118.0(8) . .
C18 C17 C22 116.6(8) . .
C18 C17 C16 118.7(8) . .
C22 C17 C16 124.5(8) . .
C17 C18 C19 123.1(9) . .
C17 C18 H18 118.5 . .
C19 C18 H18 118.5 . .
C20 C19 C18 118.9(10) . .
C20 C19 H19 120.6 . .
C18 C19 H19 120.6 . .
C19 C20 C21 119.5(10) . .
C19 C20 H20 120.3 . .
C21 C20 H20 120.3 . .
C22 C21 C20 119.7(9) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C21 C22 O10 119.9(8) . .
C21 C22 C17 122.2(8) . .
O10 C22 C17 117.8(8) . .
C24 C23 O10 120.7(10) . .
C24 C23 C30 122.4(9) . .
O10 C23 C30 116.0(10) . .
C23 C24 C25 116.6(9) . .
C23 C24 H24 121.7 . .
C25 C24 H24 121.7 . .
C27 C25 C24 119.8(9) . .
C27 C25 C26 122.8(9) . .
C24 C25 C26 116.7(9) . .
O12 C26 O11 123.5(10) . .
O12 C26 C25 117.8(9) . .
O11 C26 C25 118.7(10) . .
C28 C27 C25 122.3(9) . .
C28 C27 H27 118.9 . .
C25 C27 H27 118.9 . .
C30 C28 C27 117.5(9) . .
C30 C28 C29 119.7(9) . .
C27 C28 C29 121.9(8) . .
O14 C29 O13 121.9(9) . .
O14 C29 C28 119.0(9) . .
O13 C29 C28 119.0(9) . .
O14 C29 Mn5 59.4(5) . .
O13 C29 Mn5 62.8(5) . .
C28 C29 Mn5 170.7(6) . .
C28 C30 C23 121.2(10) . .
C28 C30 H30 119.4 . .
C23 C30 H30 119.4 . .
O16 C31 O15 122.3(10) . .
O16 C31 C32 120.1(10) . .
O15 C31 C32 117.5(10) . .
C37 C32 C33 116.9(8) . .
C37 C32 C31 124.4(8) . .
C33 C32 C31 118.7(8) . .
C34 C33 C32 121.4(9) . .
C34 C33 H33 119.3 . .
C32 C33 H33 119.3 . .
C35 C34 C33 120.3(9) . .
C35 C34 H34 119.8 . .
C33 C34 H34 119.8 . .
C34 C35 C36 119.5(9) . .
C34 C35 H35 120.3 . .
C36 C35 H35 120.3 . .
C37 C36 C35 120.1(8) . .
C37 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C36 C37 O17 121.1(8) . .
C36 C37 C32 121.5(8) . .
O17 C37 C32 116.7(7) . .
C45 C38 O17 123.1(7) . .
C45 C38 C39 120.3(8) . .
O17 C38 C39 116.6(7) . .
C38 C39 C40 119.8(8) . .
C38 C39 H39 120.1 . .
C40 C39 H39 120.1 . .
C42 C40 C39 118.5(7) . .
C42 C40 C41 123.6(7) . .
C39 C40 C41 117.8(7) . .
O19 C41 O18 123.6(7) . .
O19 C41 C40 117.7(8) . .
O18 C41 C40 118.7(7) . .
C40 C42 C43 122.1(7) . .
C40 C42 H42 118.9 . .
C43 C42 H42 118.9 . .
C45 C43 C42 116.8(7) . .
C45 C43 C44 120.0(7) . .
C42 C43 C44 123.2(7) . .
O21 C44 O20 124.5(8) . .
O21 C44 C43 119.2(8) . .
O20 C44 C43 116.3(7) . .
C38 C45 C43 122.3(8) . .
C38 C45 H45 118.9 . .
C43 C45 H45 118.9 . .
O23 C46 O22 118.8(8) . .
O23 C46 C47 121.9(7) . .
O22 C46 C47 119.3(7) . .
C48 C47 C53 121.2(7) . .
C48 C47 C46 121.0(7) . .
C53 C47 C46 117.8(7) . .
C49 C48 C47 119.7(7) . .
C49 C48 H48 120.1 . .
C47 C48 H48 120.1 . .
C51 C49 C48 119.8(7) . .
C51 C49 C50 120.7(7) . .
C48 C49 C50 119.5(7) . .
O24 C50 O25 121.7(7) . .
O24 C50 C49 118.8(7) . .
O25 C50 C49 119.5(7) . .
C49 C51 C52 120.5(7) . .
C49 C51 H51 119.8 . .
C52 C51 H51 119.8 . .
O26 C52 C51 115.7(7) . .
O26 C52 C53 123.2(7) . .
C51 C52 C53 120.9(7) . .
C47 C53 C52 117.7(7) . .
C47 C53 H53 121.2 . .
C52 C53 H53 121.2 . .
C55 C54 C60 122.4(7) . .
C55 C54 O26 119.4(7) . .
C60 C54 O26 118.1(7) . .
C54 C55 C57 116.6(7) . .
C54 C55 C56 125.3(7) . .
C57 C55 C56 118.0(7) . .
O28 C56 O27 122.6(7) . .
O28 C56 C55 118.9(7) . .
O27 C56 C55 118.5(6) . .
C58 C57 C55 121.2(8) . .
C58 C57 H57 119.4 . .
C55 C57 H57 119.4 . .
C57 C58 C59 120.3(8) . .
C57 C58 H58 119.8 . .
C59 C58 H58 119.8 . .
C60 C59 C58 119.9(8) . .
C60 C59 H59 120.1 . .
C58 C59 H59 120.1 . .
C59 C60 C54 119.6(8) . .
C59 C60 H60 120.2 . .
C54 C60 H60 120.2 . .
O29 C61 O30 124.3(7) . .
O29 C61 C62 119.0(7) . .
O30 C61 C62 116.7(7) . .
C68 C62 C63 120.7(7) . .
C68 C62 C61 118.5(7) . .
C63 C62 C61 120.7(7) . .
C64 C63 C62 119.2(7) . .
C64 C63 H63 120.4 . .
C62 C63 H63 120.4 . .
C63 C64 C66 120.2(8) . .
C63 C64 C65 122.5(7) . .
C66 C64 C65 117.3(7) . .
O31 C65 O32 124.2(8) . .
O31 C65 C64 118.2(7) . .
O32 C65 C64 117.5(7) . .
C67 C66 C64 119.8(8) . .
C67 C66 H66 120.1 . .
C64 C66 H66 120.1 . .
C68 C67 O33 115.6(7) . .
C68 C67 C66 120.3(7) . .
O33 C67 C66 124.1(7) . .
C67 C68 C62 119.8(8) . .
C67 C68 H68 120.1 . .
C62 C68 H68 120.1 . .
O33 C69 C70 119.0(7) . .
O33 C69 C75 120.2(8) . .
C70 C69 C75 120.6(8) . .
C69 C70 C72 117.9(7) . .
C69 C70 C71 124.8(7) . .
C72 C70 C71 117.2(7) . .
O34 C71 O35 119.2(7) . .
O34 C71 C70 122.9(8) . .
O35 C71 C70 117.9(7) . .
O34 C71 Mn1 60.4(4) . 1_766
O35 C71 Mn1 59.0(4) . 1_766
C70 C71 Mn1 174.3(6) . 1_766
C73 C72 C70 121.5(8) . .
C73 C72 H72 119.2 . .
C70 C72 H72 119.2 . .
C72 C73 C74 119.0(9) . .
C72 C73 H73 120.5 . .
C74 C73 H73 120.5 . .
C75 C74 C73 120.8(8) . .
C75 C74 H74 119.6 . .
C73 C74 H74 119.6 . .
C74 C75 C69 119.6(9) . .
C74 C75 H75 120.2 . .
C69 C75 H75 120.2 . .
O36 C76 O37 120.1(7) . .
O36 C76 C77 119.8(7) . .
O37 C76 C77 120.0(7) . .
C78 C77 C83 120.8(7) . .
C78 C77 C76 119.5(7) . .
C83 C77 C76 119.7(6) . .
C79 C78 C77 119.1(7) . .
C79 C78 H78 120.4 . .
C77 C78 H78 120.4 . .
C78 C79 C81 120.3(7) . .
C78 C79 C80 120.6(7) . .
C81 C79 C80 119.1(7) . .
O39 C80 O38 122.1(7) . .
O39 C80 C79 118.2(8) . .
O38 C80 C79 119.7(7) . .
C82 C81 C79 120.4(7) . .
C82 C81 H81 119.8 . .
C79 C81 H81 119.8 . .
C83 C82 C81 121.0(7) . .
C83 C82 O40 123.4(7) . .
C81 C82 O40 115.6(7) . .
C82 C83 C77 118.3(7) . .
C82 C83 H83 120.9 . .
C77 C83 H83 120.9 . .
C85 C84 C90 121.8(7) . .
C85 C84 O40 121.3(7) . .
C90 C84 O40 116.8(7) . .
C84 C85 C87 117.8(7) . .
C84 C85 C86 124.7(7) . .
C87 C85 C86 117.5(7) . .
O41 C86 O42 122.2(7) . .
O41 C86 C85 119.1(7) . .
O42 C86 C85 118.6(7) . .
C88 C87 C85 120.0(8) . .
C88 C87 H87 120.0 . .
C85 C87 H87 120.0 . .
C89 C88 C87 121.0(8) . .
C89 C88 H88 119.5 . .
C87 C88 H88 119.5 . .
C88 C89 C90 119.8(8) . .
C88 C89 H89 120.1 . .
C90 C89 H89 120.1 . .
C89 C90 C84 119.5(8) . .
C89 C90 H90 120.2 . .
C84 C90 H90 120.2 . .
C92 C91 N1 123.0(9) . .
C92 C91 H91 118.5 . .
N1 C91 H91 118.5 . .
C91 C92 C93 118.2(10) . .
C91 C92 H92 120.9 . .
C93 C92 H92 120.9 . .
C92 C93 C94 120.0(9) . .
C92 C93 H93 120.0 . .
C94 C93 H93 120.0 . .
C93 C94 C95 119.1(10) . .
C93 C94 H94 120.5 . .
C95 C94 H94 120.5 . .
N1 C95 C94 121.7(10) . .
N1 C95 H95 119.2 . .
C94 C95 H95 119.2 . .
N2 C96 C97 122.9(10) . .
N2 C96 H96 118.6 . .
C97 C96 H96 118.6 . .
C98 C97 C96 119.9(11) . .
C98 C97 H97 120.0 . .
C96 C97 H97 120.0 . .
C97 C98 C99 118.4(12) . .
C97 C98 H98 120.8 . .
C99 C98 H98 120.8 . .
C98 C99 C100 119.3(12) . .
C98 C99 H99 120.4 . .
C100 C99 H99 120.4 . .
N2 C100 C99 124.0(11) . .
N2 C100 H100 118.0 . .
C99 C100 H100 118.0 . .
N3 C101 C102 121.8(10) . .
N3 C101 H101 119.1 . .
C102 C101 H101 119.1 . .
C103 C102 C101 120.3(11) . .
C103 C102 H102 119.9 . .
C101 C102 H102 119.9 . .
C102 C103 C104 118.8(10) . .
C102 C103 H103 120.6 . .
C104 C103 H103 120.6 . .
C105 C104 C103 119.5(10) . .
C105 C104 H104 120.2 . .
C103 C104 H104 120.2 . .
C104 C105 N3 122.4(10) . .
C104 C105 H105 118.8 . .
N3 C105 H105 118.8 . .
Mn4 O1W H2W1 109.5 . .
Mn4 O1W H1W1 115.00 . .
H2W1 O1W H1W1 105.0 . .
Mn7 O2W H2W2 109.5 . .
Mn7 O2W H1W2 124(7) . .
H2W2 O2W H1W2 109.0 . .
Mn9 O3W H1W3 129(6) . .
Mn9 O3W H2W3 112(7) . .
H1W3 O3W H2W3 118(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O31 2.072(6) 1_444
Mn1 N1 2.196(7) .
Mn1 O1 2.211(6) .
Mn1 O35 2.227(6) 1_344
Mn1 O34 2.259(6) 1_344
Mn1 O2 2.393(5) .
Mn1 C71 2.598(8) 1_344
Mn2 O8 2.136(6) .
Mn2 O32 2.139(6) 1_444
Mn2 O4 2.150(6) 2_335
Mn2 O6 2.178(6) 2_435
Mn2 O35 2.208(6) 1_344
Mn2 O2 2.271(6) .
Mn3 O9 2.024(6) .
Mn3 O11 2.031(7) 2_445
Mn3 O3 2.072(6) 2_335
Mn3 O7 2.140(6) 2_435
Mn3 O6 2.272(6) 2_435
Mn3 C11 2.541(9) 2_435
Mn4 O15 2.103(7) .
Mn4 O12 2.113(7) 2_445
Mn4 O20 2.142(6) 1_455
Mn4 O13 2.184(7) .
Mn4 N2 2.273(8) .
Mn4 O1W 2.352(8) .
Mn5 O21 2.064(6) 1_455
Mn5 O16 2.086(7) .
Mn5 N3 2.170(7) .
Mn5 O14 2.245(7) .
Mn5 O13 2.320(7) .
Mn5 C29 2.607(10) .
Mn6 O22 2.117(5) .
Mn6 O22 2.117(5) 2_546
Mn6 O28 2.120(5) 2_446
Mn6 O28 2.120(5) 1_655
Mn6 O18 2.276(5) 2_546
Mn6 O18 2.276(5) .
Mn7 O39 2.130(5) 2_656
Mn7 O2W 2.175(6) .
Mn7 O18 2.180(5) .
Mn7 O27 2.225(5) 1_655
Mn7 O23 2.291(6) .
Mn7 O22 2.372(6) .
Mn8 O25 2.100(5) 2_546
Mn8 O38 2.118(5) 2_656
Mn8 O29 2.169(5) .
Mn8 O19 2.184(5) .
Mn8 O27 2.266(5) 1_655
Mn8 O42 2.270(5) 1_455
Mn9 O3W 2.128(7) .
Mn9 O24 2.168(5) 2_546
Mn9 O30 2.199(5) .
Mn9 O42 2.216(5) 1_455
Mn9 O36 2.334(6) .
Mn9 O37 2.342(5) .
Mn10 O37 2.110(5) .
Mn10 O37 2.110(5) 2_656
Mn10 O41 2.117(5) 1_455
Mn10 O41 2.117(5) 2_756
Mn10 O30 2.232(5) .
Mn10 O30 2.232(5) 2_656
O1 C1 1.261(10) .
O2 C1 1.275(10) .
O3 C7 1.276(10) .
O3 Mn3 2.072(6) 2_335
O4 C7 1.239(10) .
O4 Mn2 2.150(6) 2_335
O5 C4 1.372(9) .
O5 C9 1.403(10) .
O6 C11 1.274(10) .
O6 Mn2 2.178(6) 2_435
O6 Mn3 2.272(6) 2_435
O7 C11 1.244(10) .
O7 Mn3 2.140(6) 2_435
O8 C16 1.256(9) .
O9 C16 1.266(10) .
O10 C22 1.383(10) .
O10 C23 1.388(10) .
O11 C26 1.244(11) .
O11 Mn3 2.031(7) 2_445
O12 C26 1.244(11) .
O12 Mn4 2.113(7) 2_445
O13 C29 1.262(10) .
O14 C29 1.236(10) .
O15 C31 1.270(11) .
O16 C31 1.253(12) .
O17 C37 1.378(9) .
O17 C38 1.384(9) .
O18 C41 1.275(9) .
O19 C41 1.244(8) .
O20 C44 1.271(9) .
O20 Mn4 2.142(6) 1_655
O21 C44 1.254(9) .
O21 Mn5 2.064(6) 1_655
O22 C46 1.290(9) .
O23 C46 1.231(9) .
O24 C50 1.268(8) .
O24 Mn9 2.168(5) 2_546
O25 C50 1.268(9) .
O25 Mn8 2.100(5) 2_546
O26 C52 1.377(9) .
O26 C54 1.395(8) .
O27 C56 1.284(8) .
O27 Mn7 2.225(5) 1_455
O27 Mn8 2.266(5) 1_455
O28 C56 1.247(8) .
O28 Mn6 2.120(5) 1_455
O29 C61 1.233(8) .
O30 C61 1.284(9) .
O31 C65 1.264(9) .
O31 Mn1 2.072(6) 1_666
O32 C65 1.270(8) .
O32 Mn2 2.139(6) 1_666
O33 C69 1.378(9) .
O33 C67 1.384(8) .
O34 C71 1.243(9) .
O34 Mn1 2.259(6) 1_766
O35 C71 1.269(9) .
O35 Mn2 2.208(6) 1_766
O35 Mn1 2.227(6) 1_766
O36 C76 1.244(8) .
O37 C76 1.276(9) .
O38 C80 1.280(9) .
O38 Mn8 2.118(5) 2_656
O39 C80 1.269(9) .
O39 Mn7 2.130(5) 2_656
O40 C84 1.387(8) .
O40 C82 1.390(8) .
O41 C86 1.255(8) .
O41 Mn10 2.117(5) 1_655
O42 C86 1.290(8) .
O42 Mn9 2.216(5) 1_655
O42 Mn8 2.270(5) 1_655
N1 C95 1.332(11) .
N1 C91 1.367(11) .
N2 C100 1.320(13) .
N2 C96 1.359(11) .
N3 C101 1.352(11) .
N3 C105 1.353(11) .
C1 C2 1.488(11) .
C2 C3 1.363(10) .
C2 C8 1.368(11) .
C3 C4 1.376(11) .
C3 H3 0.9500 .
C4 C5 1.391(12) .
C5 C6 1.405(11) .
C5 H5 0.9500 .
C6 C8 1.393(11) .
C6 C7 1.485(11) .
C8 H8 0.9500 .
C9 C10 1.394(11) .
C9 C15 1.404(12) .
C10 C12 1.371(11) .
C10 C11 1.510(11) .
C11 Mn3 2.541(9) 2_435
C12 C13 1.389(12) .
C12 H12 0.9500 .
C13 C14 1.371(12) .
C13 H13 0.9500 .
C14 C15 1.371(14) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.515(12) .
C17 C18 1.368(12) .
C17 C22 1.387(11) .
C18 C19 1.380(13) .
C18 H18 0.9500 .
C19 C20 1.378(13) .
C19 H19 0.9500 .
C20 C21 1.391(12) .
C20 H20 0.9500 .
C21 C22 1.366(11) .
C21 H21 0.9500 .
C23 C24 1.370(14) .
C23 C30 1.390(13) .
C24 C25 1.406(12) .
C24 H24 0.9500 .
C25 C27 1.393(12) .
C25 C26 1.504(13) .
C27 C28 1.375(12) .
C27 H27 0.9500 .
C28 C30 1.354(12) .
C28 C29 1.516(12) .
C30 H30 0.9500 .
C31 C32 1.493(13) .
C32 C37 1.381(10) .
C32 C33 1.398(12) .
C33 C34 1.368(13) .
C33 H33 0.9500 .
C34 C35 1.363(13) .
C34 H34 0.9500 .
C35 C36 1.374(12) .
C35 H35 0.9500 .
C36 C37 1.374(11) .
C36 H36 0.9500 .
C38 C45 1.353(11) .
C38 C39 1.389(10) .
C39 C40 1.390(10) .
C39 H39 0.9500 .
C40 C42 1.385(10) .
C40 C41 1.505(10) .
C42 C43 1.403(10) .
C42 H42 0.9500 .
C43 C45 1.389(10) .
C43 C44 1.481(11) .
C45 H45 0.9500 .
C46 C47 1.476(10) .
C47 C48 1.392(10) .
C47 C53 1.394(10) .
C48 C49 1.387(10) .
C48 H48 0.9500 .
C49 C51 1.372(10) .
C49 C50 1.484(9) .
C51 C52 1.386(10) .
C51 H51 0.9500 .
C52 C53 1.400(10) .
C53 H53 0.9500 .
C54 C55 1.381(10) .
C54 C60 1.384(10) .
C55 C57 1.401(10) .
C55 C56 1.492(10) .
C57 C58 1.376(11) .
C57 H57 0.9500 .
C58 C59 1.376(11) .
C58 H58 0.9500 .
C59 C60 1.364(11) .
C59 H59 0.9500 .
C60 H60 0.9500 .
C61 C62 1.509(10) .
C62 C68 1.382(10) .
C62 C63 1.390(10) .
C63 C64 1.390(10) .
C63 H63 0.9500 .
C64 C66 1.392(10) .
C64 C65 1.498(11) .
C66 C67 1.385(11) .
C66 H66 0.9500 .
C67 C68 1.382(10) .
C68 H68 0.9500 .
C69 C70 1.392(10) .
C69 C75 1.396(11) .
C70 C72 1.411(11) .
C70 C71 1.484(11) .
C71 Mn1 2.598(8) 1_766
C72 C73 1.377(11) .
C72 H72 0.9500 .
C73 C74 1.390(12) .
C73 H73 0.9500 .
C74 C75 1.380(12) .
C74 H74 0.9500 .
C75 H75 0.9500 .
C76 C77 1.504(10) .
C77 C78 1.404(9) .
C77 C83 1.411(10) .
C78 C79 1.367(10) .
C78 H78 0.9500 .
C79 C81 1.391(10) .
C79 C80 1.493(10) .
C81 C82 1.379(10) .
C81 H81 0.9500 .
C82 C83 1.373(10) .
C83 H83 0.9500 .
C84 C85 1.374(10) .
C84 C90 1.384(11) .
C85 C87 1.402(10) .
C85 C86 1.492(10) .
C87 C88 1.387(11) .
C87 H87 0.9500 .
C88 C89 1.357(12) .
C88 H88 0.9500 .
C89 C90 1.380(11) .
C89 H89 0.9500 .
C90 H90 0.9500 .
C91 C92 1.363(12) .
C91 H91 0.9500 .
C92 C93 1.367(13) .
C92 H92 0.9500 .
C93 C94 1.380(13) .
C93 H93 0.9500 .
C94 C95 1.384(12) .
C94 H94 0.9500 .
C95 H95 0.9500 .
C96 C97 1.375(13) .
C96 H96 0.9500 .
C97 C98 1.343(15) .
C97 H97 0.9500 .
C98 C99 1.362(16) .
C98 H98 0.9500 .
C99 C100 1.377(14) .
C99 H99 0.9500 .
C100 H100 0.9500 .
C101 C102 1.362(13) .
C101 H101 0.9500 .
C102 C103 1.343(14) .
C102 H102 0.9500 .
C103 C104 1.378(14) .
C103 H103 0.9500 .
C104 C105 1.345(12) .
C104 H104 0.9500 .
C105 H105 0.9500 .
O1W H2W1 0.8400 .
O1W H1W1 0.86(12) .
O2W H2W2 0.8400 .
O2W H1W2 0.84(10) .
O3W H1W3 0.84(2) .
O3W H2W3 0.85(8) .
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
O31 Mn1 O1 C1 43.1(7) 1_444 .
N1 Mn1 O1 C1 134.9(5) . .
O35 Mn1 O1 C1 -66.9(5) 1_344 .
O34 Mn1 O1 C1 -123.8(5) 1_344 .
O2 Mn1 O1 C1 3.3(5) . .
C71 Mn1 O1 C1 -95.2(5) 1_344 .
O32 Mn2 O2 C1 -153.6(7) 1_444 .
O4 Mn2 O2 C1 21.3(7) 2_335 .
O6 Mn2 O2 C1 111.9(7) 2_435 .
O35 Mn2 O2 C1 -65.0(7) 1_344 .
O32 Mn2 O2 Mn1 -63.3(2) 1_444 .
O4 Mn2 O2 Mn1 111.6(2) 2_335 .
O6 Mn2 O2 Mn1 -157.8(2) 2_435 .
O35 Mn2 O2 Mn1 25.3(2) 1_344 .
O31 Mn1 O2 C1 -159.4(5) 1_444 .
N1 Mn1 O2 C1 -65.2(5) . .
O1 Mn1 O2 C1 -3.3(5) . .
O35 Mn1 O2 C1 100.3(5) 1_344 .
O34 Mn1 O2 C1 82.5(5) 1_344 .
C71 Mn1 O2 C1 91.4(5) 1_344 .
O31 Mn1 O2 Mn2 74.9(2) 1_444 .
N1 Mn1 O2 Mn2 169.1(3) . .
O1 Mn1 O2 Mn2 -129.0(3) . .
O35 Mn1 O2 Mn2 -25.4(2) 1_344 .
O34 Mn1 O2 Mn2 -43.2(4) 1_344 .
C71 Mn1 O2 Mn2 -34.3(3) 1_344 .
O32 Mn2 O8 C16 -145.8(8) 1_444 .
O4 Mn2 O8 C16 40.1(8) 2_335 .
O6 Mn2 O8 C16 -50.5(8) 2_435 .
O35 Mn2 O8 C16 126.6(8) 1_344 .
O11 Mn3 O9 C16 -179.4(10) 2_445 .
O3 Mn3 O9 C16 -75.9(10) 2_335 .
O7 Mn3 O9 C16 75.9(11) 2_435 .
O6 Mn3 O9 C16 26.4(10) 2_435 .
C11 Mn3 O9 C16 43.7(11) 2_435 .
O15 Mn4 O13 C29 84.1(12) . .
O12 Mn4 O13 C29 -0.2(12) 2_445 .
O20 Mn4 O13 C29 167.6(12) 1_455 .
N2 Mn4 O13 C29 -102.5(12) . .
O1W Mn4 O13 C29 -15(2) . .
O15 Mn4 O13 Mn5 -15.0(3) . .
O12 Mn4 O13 Mn5 -99.3(3) 2_445 .
O20 Mn4 O13 Mn5 68.4(2) 1_455 .
N2 Mn4 O13 Mn5 158.4(3) . .
O1W Mn4 O13 Mn5 -114.5(12) . .
O21 Mn5 O13 C29 143.6(5) 1_455 .
O16 Mn5 O13 C29 -94.2(6) . .
N3 Mn5 O13 C29 45.7(7) . .
O14 Mn5 O13 C29 3.4(5) . .
O21 Mn5 O13 Mn4 -69.5(3) 1_455 .
O16 Mn5 O13 Mn4 52.8(3) . .
N3 Mn5 O13 Mn4 -167.4(3) . .
O14 Mn5 O13 Mn4 150.4(4) . .
C29 Mn5 O13 Mn4 147.0(6) . .
O21 Mn5 O14 C29 -61.2(6) 1_455 .
O16 Mn5 O14 C29 95.2(6) . .
N3 Mn5 O14 C29 -155.2(6) . .
O13 Mn5 O14 C29 -3.5(5) . .
O12 Mn4 O15 C31 30.3(10) 2_445 .
O20 Mn4 O15 C31 -133.2(10) 1_455 .
O13 Mn4 O15 C31 -51.7(10) . .
N2 Mn4 O15 C31 146.0(10) . .
O1W Mn4 O15 C31 116.1(10) . .
O21 Mn5 O16 C31 39.8(8) 1_455 .
N3 Mn5 O16 C31 148.6(7) . .
O14 Mn5 O16 C31 -119.4(7) . .
O13 Mn5 O16 C31 -60.2(7) . .
C29 Mn5 O16 C31 -90.2(7) . .
O39 Mn7 O18 C41 -19.8(8) 2_656 .
O2W Mn7 O18 C41 69.3(5) . .
O27 Mn7 O18 C41 -78.2(5) 1_655 .
O23 Mn7 O18 C41 152.4(5) . .
O22 Mn7 O18 C41 -172.6(5) . .
O39 Mn7 O18 Mn6 130.9(4) 2_656 .
O2W Mn7 O18 Mn6 -139.9(2) . .
O27 Mn7 O18 Mn6 72.55(19) 1_655 .
O23 Mn7 O18 Mn6 -56.9(3) . .
O22 Mn7 O18 Mn6 -21.89(18) . .
O22 Mn6 O18 C41 169.4(7) . .
O22 Mn6 O18 C41 -10.6(7) 2_546 .
O28 Mn6 O18 C41 -98.0(6) 2_446 .
O28 Mn6 O18 C41 82.0(6) 1_655 .
O22 Mn6 O18 Mn7 24.4(2) . .
O22 Mn6 O18 Mn7 -155.6(2) 2_546 .
O28 Mn6 O18 Mn7 116.9(2) 2_446 .
O28 Mn6 O18 Mn7 -63.1(2) 1_655 .
O25 Mn8 O19 C41 108.8(7) 2_546 .
O38 Mn8 O19 C41 -70.6(7) 2_656 .
O27 Mn8 O19 C41 13.9(7) 1_655 .
O42 Mn8 O19 C41 -168.1(7) 1_455 .
O28 Mn6 O22 C46 -178.8(18) 1_655 .
O18 Mn6 O22 C46 -91.1(19) 2_546 .
O18 Mn6 O22 C46 88.9(19) . .
O28 Mn6 O22 Mn7 -110.2(2) 2_446 .
O28 Mn6 O22 Mn7 69.8(2) 1_655 .
O18 Mn6 O22 Mn7 157.78(18) 2_546 .
O18 Mn6 O22 Mn7 -22.22(18) . .
O39 Mn7 O22 C46 53.6(5) 2_656 .
O2W Mn7 O22 C46 -59.5(5) . .
O18 Mn7 O22 C46 -139.6(5) . .
O27 Mn7 O22 C46 137.4(5) 1_655 .
O23 Mn7 O22 C46 3.5(4) . .
O39 Mn7 O22 Mn6 -143.2(2) 2_656 .
O2W Mn7 O22 Mn6 103.7(2) . .
O18 Mn7 O22 Mn6 23.57(19) . .
O27 Mn7 O22 Mn6 -59.4(2) 1_655 .
O23 Mn7 O22 Mn6 166.6(3) . .
O39 Mn7 O23 C46 -144.2(5) 2_656 .
O2W Mn7 O23 C46 123.2(5) . .
O18 Mn7 O23 C46 39.0(5) . .
O27 Mn7 O23 C46 -67.5(5) 1_655 .
O22 Mn7 O23 C46 -3.7(4) . .
O25 Mn8 O29 C61 72.1(7) 2_546 .
O38 Mn8 O29 C61 -108.5(7) 2_656 .
O27 Mn8 O29 C61 166.8(7) 1_655 .
O42 Mn8 O29 C61 -11.1(7) 1_455 .
O3W Mn9 O30 C61 -75.6(5) . .
O24 Mn9 O30 C61 4.6(8) 2_546 .
O42 Mn9 O30 C61 72.0(5) 1_455 .
O36 Mn9 O30 C61 -162.3(5) . .
O37 Mn9 O30 C61 169.6(5) . .
O3W Mn9 O30 Mn10 137.7(2) . .
O24 Mn9 O30 Mn10 -142.0(4) 2_546 .
O42 Mn9 O30 Mn10 -74.7(2) 1_455 .
O36 Mn9 O30 Mn10 51.0(3) . .
O37 Mn9 O30 Mn10 22.90(19) . .
O37 Mn10 O30 C61 -169.2(6) . .
O37 Mn10 O30 C61 10.8(6) 2_656 .
O41 Mn10 O30 C61 -80.5(6) 1_455 .
O41 Mn10 O30 C61 99.5(6) 2_756 .
O37 Mn10 O30 Mn9 -25.1(2) . .
O37 Mn10 O30 Mn9 154.9(2) 2_656 .
O41 Mn10 O30 Mn9 63.6(2) 1_455 .
O41 Mn10 O30 Mn9 -116.4(2) 2_756 .
O3W Mn9 O36 C76 -112.0(5) . .
O24 Mn9 O36 C76 157.8(5) 2_546 .
O30 Mn9 O36 C76 -27.9(5) . .
O42 Mn9 O36 C76 78.2(5) 1_455 .
O37 Mn9 O36 C76 5.4(4) . .
O41 Mn10 O37 C76 161(3) 1_455 .
O41 Mn10 O37 C76 -19(3) 2_756 .
O30 Mn10 O37 C76 -110(3) . .
O30 Mn10 O37 C76 70(3) 2_656 .
O41 Mn10 O37 Mn9 -65.9(2) 1_455 .
O41 Mn10 O37 Mn9 114.1(2) 2_756 .
O30 Mn10 O37 Mn9 23.45(19) . .
O30 Mn10 O37 Mn9 -156.55(19) 2_656 .
O3W Mn9 O37 C76 68.4(5) . .
O24 Mn9 O37 C76 -42.4(5) 2_546 .
O30 Mn9 O37 C76 146.2(5) . .
O42 Mn9 O37 C76 -131.5(5) 1_455 .
O36 Mn9 O37 C76 -5.3(4) . .
O3W Mn9 O37 Mn10 -102.1(3) . .
O24 Mn9 O37 Mn10 147.2(2) 2_546 .
O30 Mn9 O37 Mn10 -24.3(2) . .
O42 Mn9 O37 Mn10 58.0(2) 1_455 .
O36 Mn9 O37 Mn10 -175.8(3) . .
O31 Mn1 N1 C95 164.3(7) 1_444 .
O1 Mn1 N1 C95 23.6(7) . .
O35 Mn1 N1 C95 -68.4(10) 1_344 .
O34 Mn1 N1 C95 -84.6(7) 1_344 .
O2 Mn1 N1 C95 70.9(7) . .
C71 Mn1 N1 C95 -78.9(7) 1_344 .
O31 Mn1 N1 C91 -11.8(6) 1_444 .
O1 Mn1 N1 C91 -152.5(6) . .
O35 Mn1 N1 C91 115.6(8) 1_344 .
O34 Mn1 N1 C91 99.3(6) 1_344 .
O2 Mn1 N1 C91 -105.2(6) . .
C71 Mn1 N1 C91 105.0(7) 1_344 .
O15 Mn4 N2 C100 62.7(12) . .
O12 Mn4 N2 C100 175.3(8) 2_445 .
O20 Mn4 N2 C100 -16.8(9) 1_455 .
O13 Mn4 N2 C100 -99.3(9) . .
O1W Mn4 N2 C100 93.3(9) . .
O15 Mn4 N2 C96 -107.4(10) . .
O12 Mn4 N2 C96 5.2(8) 2_445 .
O20 Mn4 N2 C96 173.2(8) 1_455 .
O13 Mn4 N2 C96 90.6(8) . .
O1W Mn4 N2 C96 -76.8(8) . .
O21 Mn5 N3 C101 17.7(7) 1_455 .
O16 Mn5 N3 C101 -107.5(7) . .
O14 Mn5 N3 C101 148.3(7) . .
O13 Mn5 N3 C101 113.9(7) . .
C29 Mn5 N3 C101 135.9(7) . .
O21 Mn5 N3 C105 -159.0(7) 1_455 .
O16 Mn5 N3 C105 75.7(7) . .
O14 Mn5 N3 C105 -28.4(7) . .
O13 Mn5 N3 C105 -62.9(8) . .
C29 Mn5 N3 C105 -40.8(8) . .
Mn1 O1 C1 O2 -5.9(8) . .
Mn1 O1 C1 C2 174.6(7) . .
Mn2 O2 C1 O1 98.8(8) . .
Mn1 O2 C1 O1 5.4(8) . .
Mn2 O2 C1 C2 -81.7(9) . .
Mn1 O2 C1 C2 -175.1(7) . .
O1 C1 C2 C3 165.8(8) . .
O2 C1 C2 C3 -13.7(12) . .
O1 C1 C2 C8 -16.0(12) . .
O2 C1 C2 C8 164.5(7) . .
C8 C2 C3 C4 -2.8(12) . .
C1 C2 C3 C4 175.4(8) . .
C9 O5 C4 C3 156.9(8) . .
C9 O5 C4 C5 -25.2(12) . .
C2 C3 C4 O5 176.3(7) . .
C2 C3 C4 C5 -1.7(13) . .
O5 C4 C5 C6 -174.1(7) . .
C3 C4 C5 C6 3.8(13) . .
C4 C5 C6 C8 -1.5(12) . .
C4 C5 C6 C7 179.4(7) . .
Mn2 O4 C7 O3 -18.1(16) 2_335 .
Mn2 O4 C7 C6 159.0(7) 2_335 .
Mn3 O3 C7 O4 -12.4(11) 2_335 .
Mn3 O3 C7 C6 170.4(5) 2_335 .
C8 C6 C7 O4 -169.0(8) . .
C5 C6 C7 O4 10.0(12) . .
C8 C6 C7 O3 8.4(11) . .
C5 C6 C7 O3 -172.6(7) . .
C3 C2 C8 C6 5.1(12) . .
C1 C2 C8 C6 -173.1(7) . .
C5 C6 C8 C2 -2.9(12) . .
C7 C6 C8 C2 176.2(7) . .
C4 O5 C9 C10 128.7(9) . .
C4 O5 C9 C15 -55.0(12) . .
O5 C9 C10 C12 175.6(8) . .
C15 C9 C10 C12 -0.6(14) . .
O5 C9 C10 C11 -3.7(13) . .
C15 C9 C10 C11 -179.9(9) . .
Mn3 O7 C11 O6 -8.0(10) 2_435 .
Mn3 O7 C11 C10 173.1(8) 2_435 .
Mn2 O6 C11 O7 136.0(17) 2_435 .
Mn3 O6 C11 O7 7.5(9) 2_435 .
Mn2 O6 C11 C10 -45(2) 2_435 .
Mn3 O6 C11 C10 -173.6(8) 2_435 .
Mn2 O6 C11 Mn3 129(2) 2_435 2_435
C12 C10 C11 O7 160.1(9) . .
C9 C10 C11 O7 -20.6(14) . .
C12 C10 C11 O6 -18.8(13) . .
C9 C10 C11 O6 160.5(8) . .
C9 C10 C12 C13 3.4(14) . .
C11 C10 C12 C13 -177.3(9) . .
C10 C12 C13 C14 -3.9(15) . .
C12 C13 C14 C15 1.6(17) . .
C13 C14 C15 C9 1.1(18) . .
C10 C9 C15 C14 -1.6(16) . .
O5 C9 C15 C14 -177.9(10) . .
Mn2 O8 C16 O9 28.2(14) . .
Mn2 O8 C16 C17 -150.5(6) . .
Mn3 O9 C16 O8 -14.8(16) . .
Mn3 O9 C16 C17 163.8(6) . .
O8 C16 C17 C18 19.2(13) . .
O9 C16 C17 C18 -159.6(9) . .
O8 C16 C17 C22 -165.6(9) . .
O9 C16 C17 C22 15.7(14) . .
C22 C17 C18 C19 1.6(16) . .
C16 C17 C18 C19 177.2(10) . .
C17 C18 C19 C20 -0.6(19) . .
C18 C19 C20 C21 0(2) . .
C19 C20 C21 C22 -0.1(19) . .
C20 C21 C22 O10 -176.6(11) . .
C20 C21 C22 C17 1.2(18) . .
C23 O10 C22 C21 -11.2(15) . .
C23 O10 C22 C17 170.9(9) . .
C18 C17 C22 C21 -1.9(15) . .
C16 C17 C22 C21 -177.3(9) . .
C18 C17 C22 O10 175.9(9) . .
C16 C17 C22 O10 0.6(14) . .
C22 O10 C23 C24 -71.6(13) . .
C22 O10 C23 C30 119.3(10) . .
O10 C23 C24 C25 -166.8(7) . .
C30 C23 C24 C25 1.6(14) . .
C23 C24 C25 C27 1.3(13) . .
C23 C24 C25 C26 172.2(8) . .
Mn4 O12 C26 O11 35(2) 2_445 .
Mn4 O12 C26 C25 -144.2(12) 2_445 .
Mn3 O11 C26 O12 -115.2(15) 2_445 .
Mn3 O11 C26 C25 63.7(19) 2_445 .
C27 C25 C26 O12 145.7(9) . .
C24 C25 C26 O12 -24.9(12) . .
C27 C25 C26 O11 -33.2(13) . .
C24 C25 C26 O11 156.2(8) . .
C24 C25 C27 C28 -1.1(14) . .
C26 C25 C27 C28 -171.4(9) . .
C25 C27 C28 C30 -2.1(14) . .
C25 C27 C28 C29 167.1(8) . .
Mn5 O14 C29 O13 6.4(9) . .
Mn5 O14 C29 C28 -169.5(7) . .
Mn4 O13 C29 O14 -108.3(12) . .
Mn5 O13 C29 O14 -6.2(9) . .
Mn4 O13 C29 C28 67.6(15) . .
Mn5 O13 C29 C28 169.7(7) . .
Mn4 O13 C29 Mn5 -102.1(11) . .
C30 C28 C29 O14 164.7(8) . .
C27 C28 C29 O14 -4.3(14) . .
C30 C28 C29 O13 -11.3(13) . .
C27 C28 C29 O13 179.7(8) . .
O21 Mn5 C29 O14 133.5(5) 1_455 .
O16 Mn5 C29 O14 -92.3(6) . .
N3 Mn5 C29 O14 26.9(6) . .
O13 Mn5 C29 O14 173.9(9) . .
O21 Mn5 C29 O13 -40.4(6) 1_455 .
O16 Mn5 C29 O13 93.8(6) . .
N3 Mn5 C29 O13 -147.0(5) . .
O14 Mn5 C29 O13 -173.9(9) . .
C27 C28 C30 C23 5.1(14) . .
C29 C28 C30 C23 -164.4(8) . .
C24 C23 C30 C28 -5.0(15) . .
O10 C23 C30 C28 164.0(8) . .
Mn5 O16 C31 O15 6.2(12) . .
Mn5 O16 C31 C32 -172.8(6) . .
Mn4 O15 C31 O16 63.4(14) . .
Mn4 O15 C31 C32 -117.6(9) . .
O16 C31 C32 C37 45.3(14) . .
O15 C31 C32 C37 -133.8(10) . .
O16 C31 C32 C33 -134.4(10) . .
O15 C31 C32 C33 46.5(13) . .
C37 C32 C33 C34 3.0(15) . .
C31 C32 C33 C34 -177.3(10) . .
C32 C33 C34 C35 -4.2(17) . .
C33 C34 C35 C36 5.2(18) . .
C34 C35 C36 C37 -5.0(17) . .
C35 C36 C37 O17 174.5(9) . .
C35 C36 C37 C32 4.0(15) . .
C38 O17 C37 C36 48.4(12) . .
C38 O17 C37 C32 -140.6(8) . .
C33 C32 C37 C36 -2.9(14) . .
C31 C32 C37 C36 177.4(9) . .
C33 C32 C37 O17 -173.8(8) . .
C31 C32 C37 O17 6.5(14) . .
C37 O17 C38 C45 29.0(12) . .
C37 O17 C38 C39 -153.0(7) . .
C45 C38 C39 C40 4.1(12) . .
O17 C38 C39 C40 -173.9(7) . .
C38 C39 C40 C42 -4.3(11) . .
C38 C39 C40 C41 173.8(7) . .
Mn8 O19 C41 O18 0.6(12) . .
Mn8 O19 C41 C40 178.9(5) . .
Mn7 O18 C41 O19 37.1(9) . .
Mn6 O18 C41 O19 -101.7(8) . .
Mn7 O18 C41 C40 -141.2(5) . .
Mn6 O18 C41 C40 80.0(8) . .
C42 C40 C41 O19 21.0(11) . .
C39 C40 C41 O19 -156.9(7) . .
C42 C40 C41 O18 -160.6(7) . .
C39 C40 C41 O18 21.5(10) . .
C39 C40 C42 C43 2.0(11) . .
C41 C40 C42 C43 -175.9(7) . .
C40 C42 C43 C45 0.5(11) . .
C40 C42 C43 C44 -178.6(7) . .
Mn5 O21 C44 O20 5.6(12) 1_655 .
Mn5 O21 C44 C43 -174.5(5) 1_655 .
Mn4 O20 C44 O21 5.8(13) 1_655 .
Mn4 O20 C44 C43 -174.1(5) 1_655 .
C45 C43 C44 O21 167.0(7) . .
C42 C43 C44 O21 -14.0(12) . .
C45 C43 C44 O20 -13.1(11) . .
C42 C43 C44 O20 166.0(7) . .
O17 C38 C45 C43 176.4(7) . .
C39 C38 C45 C43 -1.5(12) . .
C42 C43 C45 C38 -0.7(12) . .
C44 C43 C45 C38 178.4(7) . .
Mn7 O23 C46 O22 6.3(8) . .
Mn7 O23 C46 C47 -172.1(6) . .
Mn6 O22 C46 O23 -118.2(17) . .
Mn7 O22 C46 O23 -6.1(7) . .
Mn6 O22 C46 C47 60(2) . .
Mn7 O22 C46 C47 172.4(6) . .
O23 C46 C47 C48 154.6(8) . .
O22 C46 C47 C48 -23.9(11) . .
O23 C46 C47 C53 -24.2(11) . .
O22 C46 C47 C53 157.4(7) . .
C53 C47 C48 C49 -0.2(11) . .
C46 C47 C48 C49 -178.8(7) . .
C47 C48 C49 C51 -3.6(11) . .
C47 C48 C49 C50 175.6(7) . .
Mn9 O24 C50 O25 -2.8(8) 2_546 .
Mn9 O24 C50 C49 175.6(5) 2_546 .
Mn8 O25 C50 O24 -76.1(9) 2_546 .
Mn8 O25 C50 C49 105.5(7) 2_546 .
C51 C49 C50 O24 -11.2(10) . .
C48 C49 C50 O24 169.6(7) . .
C51 C49 C50 O25 167.2(7) . .
C48 C49 C50 O25 -12.0(10) . .
C48 C49 C51 C52 4.1(11) . .
C50 C49 C51 C52 -175.1(7) . .
C54 O26 C52 C51 171.1(7) . .
C54 O26 C52 C53 -13.0(11) . .
C49 C51 C52 O26 175.1(7) . .
C49 C51 C52 C53 -0.9(12) . .
C48 C47 C53 C52 3.2(11) . .
C46 C47 C53 C52 -178.1(7) . .
O26 C52 C53 C47 -178.4(7) . .
C51 C52 C53 C47 -2.7(11) . .
C52 O26 C54 C55 113.8(8) . .
C52 O26 C54 C60 -70.3(10) . .
C60 C54 C55 C57 -1.6(12) . .
O26 C54 C55 C57 174.1(7) . .
C60 C54 C55 C56 179.6(8) . .
O26 C54 C55 C56 -4.8(12) . .
Mn6 O28 C56 O27 -3.4(12) 1_455 .
Mn6 O28 C56 C55 173.2(5) 1_455 .
Mn7 O27 C56 O28 28.2(10) 1_455 .
Mn8 O27 C56 O28 -106.9(7) 1_455 .
Mn7 O27 C56 C55 -148.4(5) 1_455 .
Mn8 O27 C56 C55 76.4(8) 1_455 .
C54 C55 C56 O28 23.0(12) . .
C57 C55 C56 O28 -155.9(8) . .
C54 C55 C56 O27 -160.3(7) . .
C57 C55 C56 O27 20.8(11) . .
C54 C55 C57 C58 0.7(13) . .
C56 C55 C57 C58 179.7(8) . .
C55 C57 C58 C59 1.1(14) . .
C57 C58 C59 C60 -2.1(14) . .
C58 C59 C60 C54 1.3(14) . .
C55 C54 C60 C59 0.6(13) . .
O26 C54 C60 C59 -175.2(8) . .
Mn8 O29 C61 O30 -8.0(12) . .
Mn8 O29 C61 C62 173.6(5) . .
Mn9 O30 C61 O29 -28.6(10) . .
Mn10 O30 C61 O29 108.0(7) . .
Mn9 O30 C61 C62 149.8(5) . .
Mn10 O30 C61 C62 -73.6(8) . .
O29 C61 C62 C68 158.9(7) . .
O30 C61 C62 C68 -19.6(10) . .
O29 C61 C62 C63 -17.0(10) . .
O30 C61 C62 C63 164.5(7) . .
C68 C62 C63 C64 1.6(11) . .
C61 C62 C63 C64 177.4(6) . .
C62 C63 C64 C66 -3.3(11) . .
C62 C63 C64 C65 179.8(7) . .
Mn1 O31 C65 O32 -16.4(11) 1_666 .
Mn1 O31 C65 C64 164.9(5) 1_666 .
Mn2 O32 C65 O31 25.9(13) 1_666 .
Mn2 O32 C65 C64 -155.4(6) 1_666 .
C63 C64 C65 O31 10.6(11) . .
C66 C64 C65 O31 -166.3(7) . .
C63 C64 C65 O32 -168.2(7) . .
C66 C64 C65 O32 14.9(10) . .
C63 C64 C66 C67 2.4(11) . .
C65 C64 C66 C67 179.4(7) . .
C69 O33 C67 C68 -171.6(7) . .
C69 O33 C67 C66 7.0(11) . .
C64 C66 C67 C68 0.3(11) . .
C64 C66 C67 O33 -178.2(7) . .
O33 C67 C68 C62 176.6(6) . .
C66 C67 C68 C62 -2.1(11) . .
C63 C62 C68 C67 1.1(11) . .
C61 C62 C68 C67 -174.8(6) . .
C67 O33 C69 C70 113.4(8) . .
C67 O33 C69 C75 -71.3(10) . .
O33 C69 C70 C72 177.8(8) . .
C75 C69 C70 C72 2.5(13) . .
O33 C69 C70 C71 -1.3(13) . .
C75 C69 C70 C71 -176.6(8) . .
Mn1 O34 C71 O35 3.6(9) 1_766 .
Mn1 O34 C71 C70 -174.5(8) 1_766 .
Mn2 O35 C71 O34 141.5(19) 1_766 .
Mn1 O35 C71 O34 -3.7(9) 1_766 .
Mn2 O35 C71 C70 -40(3) 1_766 .
Mn1 O35 C71 C70 174.5(7) 1_766 .
Mn2 O35 C71 Mn1 145(2) 1_766 1_766
C69 C70 C71 O34 -33.0(14) . .
C72 C70 C71 O34 147.9(9) . .
C69 C70 C71 O35 148.8(9) . .
C72 C70 C71 O35 -30.2(12) . .
C69 C70 C72 C73 3.5(14) . .
C71 C70 C72 C73 -177.4(9) . .
C70 C72 C73 C74 -4.6(16) . .
C72 C73 C74 C75 -0.3(16) . .
C73 C74 C75 C69 6.2(16) . .
O33 C69 C75 C74 177.5(9) . .
C70 C69 C75 C74 -7.2(14) . .
Mn9 O36 C76 O37 -9.5(8) . .
Mn9 O36 C76 C77 172.8(6) . .
Mn10 O37 C76 O36 144(2) . .
Mn9 O37 C76 O36 9.5(8) . .
Mn10 O37 C76 C77 -39(3) . .
Mn9 O37 C76 C77 -172.9(6) . .
O36 C76 C77 C78 -161.3(7) . .
O37 C76 C77 C78 21.1(11) . .
O36 C76 C77 C83 16.7(11) . .
O37 C76 C77 C83 -161.0(7) . .
C83 C77 C78 C79 2.0(11) . .
C76 C77 C78 C79 179.9(6) . .
C77 C78 C79 C81 0.9(11) . .
C77 C78 C79 C80 -179.1(7) . .
Mn7 O39 C80 O38 3.2(8) 2_656 .
Mn7 O39 C80 C79 -175.2(5) 2_656 .
Mn8 O38 C80 O39 75.5(9) 2_656 .
Mn8 O38 C80 C79 -106.0(7) 2_656 .
C78 C79 C80 O39 -163.4(7) . .
C81 C79 C80 O39 16.6(10) . .
C78 C79 C80 O38 18.1(11) . .
C81 C79 C80 O38 -161.9(7) . .
C78 C79 C81 C82 -3.2(11) . .
C80 C79 C81 C82 176.8(7) . .
C79 C81 C82 C83 2.6(11) . .
C79 C81 C82 O40 -174.8(6) . .
C84 O40 C82 C83 11.3(10) . .
C84 O40 C82 C81 -171.4(7) . .
C81 C82 C83 C77 0.3(11) . .
O40 C82 C83 C77 177.5(6) . .
C78 C77 C83 C82 -2.6(11) . .
C76 C77 C83 C82 179.5(6) . .
C82 O40 C84 C85 -113.5(8) . .
C82 O40 C84 C90 71.0(9) . .
C90 C84 C85 C87 -1.4(12) . .
O40 C84 C85 C87 -176.6(7) . .
C90 C84 C85 C86 179.3(8) . .
O40 C84 C85 C86 4.1(12) . .
Mn10 O41 C86 O42 2.0(12) 1_655 .
Mn10 O41 C86 C85 -175.1(5) 1_655 .
Mn9 O42 C86 O41 -24.9(10) 1_655 .
Mn8 O42 C86 O41 105.9(7) 1_655 .
Mn9 O42 C86 C85 152.2(5) 1_655 .
Mn8 O42 C86 C85 -77.0(7) 1_655 .
C84 C85 C86 O41 -21.0(12) . .
C87 C85 C86 O41 159.7(8) . .
C84 C85 C86 O42 161.8(7) . .
C87 C85 C86 O42 -17.5(11) . .
C84 C85 C87 C88 -0.3(13) . .
C86 C85 C87 C88 179.0(9) . .
C85 C87 C88 C89 1.1(16) . .
C87 C88 C89 C90 -0.1(17) . .
C88 C89 C90 C84 -1.6(15) . .
C85 C84 C90 C89 2.4(13) . .
O40 C84 C90 C89 177.8(8) . .
C95 N1 C91 C92 -2.3(13) . .
Mn1 N1 C91 C92 173.9(7) . .
N1 C91 C92 C93 2.4(15) . .
C91 C92 C93 C94 -0.9(15) . .
C92 C93 C94 C95 -0.6(14) . .
C91 N1 C95 C94 0.7(13) . .
Mn1 N1 C95 C94 -175.5(7) . .
C93 C94 C95 N1 0.7(14) . .
C100 N2 C96 C97 3.7(16) . .
Mn4 N2 C96 C97 174.1(8) . .
N2 C96 C97 C98 -2.6(18) . .
C96 C97 C98 C99 1(2) . .
C97 C98 C99 C100 -2(2) . .
C96 N2 C100 C99 -3.9(18) . .
Mn4 N2 C100 C99 -174.8(10) . .
C98 C99 C100 N2 3(2) . .
C105 N3 C101 C102 0.8(14) . .
Mn5 N3 C101 C102 -176.1(8) . .
N3 C101 C102 C103 -2.0(17) . .
C101 C102 C103 C104 2.3(17) . .
C102 C103 C104 C105 -1.6(15) . .
C103 C104 C105 N3 0.5(15) . .
C101 N3 C105 C104 -0.1(14) . .
Mn5 N3 C105 C104 176.9(7) . .
