#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:50:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179992 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/86/7028627.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_7028627
loop_
_publ_author_name
'Yang, Peng'
'Wang, Meng-Si'
'Shen, Jin-Jin'
'Li, Ming-Xing'
'Wang, Zhao-Xi'
'Shao, Min'
'He, Xiang'
_publ_section_title
;
 Seven novel coordination polymers constructed by rigid
 4-(4-carboxyphenyl)-terpyridine ligands: synthesis, structural diversity,
 luminescence and magnetic properties.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1460
_journal_page_last               1470
_journal_paper_doi               10.1039/c3dt52500g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C132 H90 Mn3 N18 O15'
_chemical_formula_weight         2333.04
_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                98.411(2)
_cell_angle_beta                 91.251(2)
_cell_angle_gamma                96.172(2)
_cell_formula_units_Z            2
_cell_length_a                   10.6445(11)
_cell_length_b                   17.4956(18)
_cell_length_c                   30.022(3)
_cell_measurement_reflns_used    4772
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      24.54
_cell_measurement_theta_min      2.22
_cell_volume                     5494.8(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0557
_diffrn_reflns_av_sigmaI/netI    0.1161
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            36209
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         0.69
_diffrn_standards_decay_%        5.11
_exptl_absorpt_coefficient_mu    0.418
_exptl_absorpt_correction_T_max  0.9714
_exptl_absorpt_correction_T_min  0.9477
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2406
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.170
_refine_diff_density_min         -1.051
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1491
_refine_ls_number_reflns         21392
_refine_ls_number_restraints     103
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1770
_refine_ls_R_factor_gt           0.1036
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1909P)²+12.0215P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2783
_refine_ls_wR_factor_ref         0.3434
_reflns_number_gt                11798
_reflns_number_total             21392
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52500g.txt
_cod_data_source_block           added_by_encifer
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        5494.9(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7028627
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 0.76664(9) 0.64939(5) 0.23336(3) 0.0231(3) Uani 1 1 d .
Mn2 Mn 0.26039(9) 0.87003(5) 0.26678(3) 0.0219(3) Uani 1 1 d .
Mn3 Mn 0.50801(9) 0.76137(6) 0.24576(4) 0.0286(3) Uani 1 1 d .
N1 N 1.1211(5) 0.9463(3) 0.5649(2) 0.0321(13) Uani 1 1 d .
N2 N 0.8511(5) 1.0940(3) 0.67343(19) 0.0302(13) Uani 1 1 d .
N3 N 1.5782(7) 0.9118(6) 0.5415(3) 0.083(3) Uani 1 1 d .
N4 N 0.4059(9) 0.9147(5) -0.0533(3) 0.064(2) Uani 1 1 d .
N6 N -0.0553(17) 0.8580(12) -0.0492(7) 0.197(8) Uani 1 1 d U
N7 N -0.0411(6) 0.1767(3) 0.1846(2) 0.0423(17) Uani 1 1 d .
N8 N 0.1972(6) -0.0255(3) 0.2383(2) 0.0351(14) Uani 1 1 d .
N9 N -0.4845(8) 0.2254(5) 0.1467(4) 0.087(3) Uani 1 1 d .
N10 N 0.5226(12) 0.5794(5) 0.5514(3) 0.081(3) Uani 1 1 d .
N11 N 0.9950(15) 0.6566(8) 0.5724(4) 0.131(5) Uani 1 1 d .
N13 N 1.0726(6) 1.3348(3) 0.3081(2) 0.0414(16) Uani 1 1 d .
N14 N 0.8335(5) 1.5430(3) 0.2602(2) 0.0324(14) Uani 1 1 d .
N15 N 1.5112(8) 1.2889(5) 0.3514(4) 0.090(4) Uani 1 1 d .
N16 N -0.1311(5) 0.5498(4) -0.0638(2) 0.0353(14) Uani 1 1 d .
N17 N 0.1419(5) 0.3997(3) -0.16893(19) 0.0309(13) Uani 1 1 d .
N18 N -0.5888(7) 0.5808(6) -0.0395(3) 0.082(3) Uani 1 1 d .
O1 O 0.7280(6) 0.6887(3) 0.29974(18) 0.0547(17) Uani 1 1 d .
O2 O 0.6287(5) 0.7933(3) 0.30362(16) 0.0369(12) Uani 1 1 d .
O3 O 0.6857(4) 0.7432(2) 0.20429(15) 0.0260(10) Uani 1 1 d .
O4 O 0.8607(5) 0.8237(3) 0.1964(2) 0.0557(16) Uani 1 1 d .
O5 O 0.5987(4) 0.5773(3) 0.20872(17) 0.0329(11) Uani 1 1 d .
O6 O 0.4570(5) 0.6420(3) 0.2468(2) 0.0510(16) Uani 1 1 d .
O7 O 0.3344(4) 0.7771(3) 0.29362(16) 0.0313(11) Uani 1 1 d .
O8 O 0.1534(5) 0.7013(4) 0.2943(3) 0.066(2) Uani 1 1 d .
O9 O 0.5410(5) 0.8832(3) 0.24277(19) 0.0474(14) Uani 1 1 d .
O10 O 0.4240(4) 0.9429(3) 0.29428(19) 0.0394(13) Uani 1 1 d .
O11 O 0.3728(5) 0.7463(4) 0.18943(18) 0.0553(17) Uani 1 1 d .
O12 O 0.2016(6) 0.8072(3) 0.20712(17) 0.0469(15) Uani 1 1 d .
O1W O 0.9470(6) 0.7278(4) 0.2482(2) 0.0632(18) Uani 1 1 d .
C1 C 0.7041(8) 0.7540(4) 0.3190(2) 0.0352(18) Uani 1 1 d .
C2 C 0.7735(7) 0.7824(4) 0.3631(2) 0.0309(16) Uani 1 1 d .
C3 C 0.7302(7) 0.8424(4) 0.3921(2) 0.0308(15) Uani 1 1 d .
H3 H 0.6570 0.8640 0.3833 0.037 Uiso 1 1 calc R
C4 C 0.7902(6) 0.8716(4) 0.4333(2) 0.0322(16) Uani 1 1 d .
H4 H 0.7572 0.9116 0.4529 0.039 Uiso 1 1 calc R
C5 C 0.9015(7) 0.8410(4) 0.4456(2) 0.0312(16) Uani 1 1 d .
C6 C 0.9458(9) 0.7812(5) 0.4161(3) 0.048(2) Uani 1 1 d .
H6 H 1.0207 0.7599 0.4234 0.057 Uiso 1 1 calc R
C7 C 0.8783(9) 0.7540(4) 0.3761(3) 0.048(2) Uani 1 1 d .
H7 H 0.9079 0.7125 0.3565 0.058 Uiso 1 1 calc R
C8 C 0.9967(6) 0.9514(4) 0.5616(2) 0.0314(16) Uani 1 1 d .
C9 C 0.9204(6) 0.9166(4) 0.5246(2) 0.0300(15) Uani 1 1 d .
H9 H 0.8320 0.9201 0.5242 0.036 Uiso 1 1 calc R
C10 C 0.9750(7) 0.8764(4) 0.4880(2) 0.0313(16) Uani 1 1 d .
C11 C 1.1041(7) 0.8724(4) 0.4916(2) 0.0339(16) Uani 1 1 d .
H11 H 1.1448 0.8452 0.4673 0.041 Uiso 1 1 calc R
C12 C 1.1739(6) 0.9068(4) 0.5292(2) 0.0334(16) Uani 1 1 d .
C13 C 0.9675(6) 1.0737(4) 0.6743(2) 0.0291(15) Uani 1 1 d .
H13 H 1.0193 1.0917 0.7007 0.035 Uiso 1 1 calc R
C14 C 1.0179(6) 1.0283(4) 0.6396(2) 0.0277(15) Uani 1 1 d .
H14 H 1.1022 1.0160 0.6423 0.033 Uiso 1 1 calc R
C15 C 0.9455(6) 1.0003(4) 0.6005(2) 0.0296(15) Uani 1 1 d .
C16 C 0.8250(7) 1.0259(5) 0.5981(2) 0.0392(18) Uani 1 1 d .
H16 H 0.7734 1.0127 0.5713 0.047 Uiso 1 1 calc R
C17 C 0.7826(7) 1.0709(5) 0.6358(2) 0.0386(18) Uani 1 1 d .
H17 H 0.6996 1.0859 0.6343 0.046 Uiso 1 1 calc R
C18 C 1.5099(8) 0.9471(7) 0.5734(4) 0.073(3) Uani 1 1 d .
H18 H 1.5539 0.9758 0.5994 0.087 Uiso 1 1 calc R
C19 C 1.3812(8) 0.9449(6) 0.5712(3) 0.063(3) Uani 1 1 d .
H19 H 1.3388 0.9703 0.5957 0.076 Uiso 1 1 calc R
C20 C 1.3125(7) 0.9056(5) 0.5335(3) 0.0412(18) Uani 1 1 d .
C21 C 1.3815(9) 0.8686(7) 0.5004(4) 0.083(4) Uani 1 1 d .
H21 H 1.3402 0.8414 0.4734 0.100 Uiso 1 1 calc R
C22 C 1.5105(10) 0.8712(8) 0.5065(4) 0.095(4) Uani 1 1 d U
H22 H 1.5543 0.8418 0.4840 0.114 Uiso 1 1 calc R
C23 C 0.7522(6) 0.7911(4) 0.1839(3) 0.0339(17) Uani 1 1 d .
C24 C 0.6991(6) 0.8087(4) 0.1400(3) 0.0318(16) Uani 1 1 d .
C25 C 0.5861(7) 0.7689(4) 0.1215(2) 0.0327(16) Uani 1 1 d .
H25 H 0.5436 0.7292 0.1360 0.039 Uiso 1 1 calc R
C26 C 0.5353(8) 0.7868(5) 0.0822(3) 0.0434(19) Uani 1 1 d .
H26 H 0.4570 0.7593 0.0704 0.052 Uiso 1 1 calc R
C27 C 0.5931(8) 0.8427(4) 0.0591(3) 0.0407(19) Uani 1 1 d .
C28 C 0.7058(9) 0.8796(5) 0.0763(3) 0.052(2) Uani 1 1 d .
H28 H 0.7491 0.9175 0.0608 0.063 Uiso 1 1 calc R
C29 C 0.7606(8) 0.8635(5) 0.1165(3) 0.057(2) Uani 1 1 d .
H29 H 0.8400 0.8903 0.1276 0.068 Uiso 1 1 calc R
C30 C 0.5292(11) 0.9252(5) -0.0478(3) 0.055(2) Uani 1 1 d .
C31 C 0.6007(10) 0.9029(5) -0.0117(3) 0.060(3) Uani 1 1 d .
H31 H 0.6902 0.9134 -0.0084 0.072 Uiso 1 1 calc R
C32 C 0.5282(9) 0.8644(4) 0.0184(3) 0.043(2) Uani 1 1 d .
C33 C 0.4004(9) 0.8518(5) 0.0116(3) 0.048(2) Uani 1 1 d .
H33 H 0.3513 0.8257 0.0320 0.058 Uiso 1 1 calc R
C34 C 0.3378(10) 0.8770(5) -0.0258(3) 0.055(2) Uani 1 1 d .
N5 N 0.7228(10) 1.0714(5) -0.1329(3) 0.118(4) Uani 1 1 d GU
C35 C 0.7908(8) 1.0451(6) -0.1000(3) 0.146(7) Uani 1 1 d GDU
H35 H 0.8788 1.0612 -0.0955 0.176 Uiso 1 1 calc R
C36 C 0.7315(8) 0.9955(5) -0.0735(3) 0.103(5) Uani 1 1 d GDU
H36 H 0.7785 0.9773 -0.0508 0.124 Uiso 1 1 calc R
C37 C 0.6041(9) 0.9723(4) -0.0800(2) 0.079(4) Uani 1 1 d G
C38 C 0.5361(9) 0.9986(4) -0.1129(3) 0.121(6) Uani 1 1 d G
H38 H 0.4481 0.9825 -0.1174 0.145 Uiso 1 1 calc R
C39 C 0.5954(10) 1.0482(5) -0.1394(3) 0.114(5) Uani 1 1 d GU
H39 H 0.5484 1.0664 -0.1622 0.137 Uiso 1 1 calc R
C40 C 0.0231(17) 0.8955(12) -0.0737(6) 0.131(7) Uani 1 1 d .
H40 H -0.0096 0.9211 -0.0965 0.158 Uiso 1 1 calc R
C41 C 0.1445(13) 0.8983(7) -0.0674(4) 0.087(4) Uani 1 1 d .
H41 H 0.1974 0.9218 -0.0879 0.104 Uiso 1 1 calc R
C42 C 0.2021(12) 0.8686(7) -0.0324(4) 0.079(4) Uani 1 1 d .
C43 C 0.1241(16) 0.8317(11) -0.0067(6) 0.153(7) Uani 1 1 d U
H43 H 0.1582 0.8083 0.0169 0.184 Uiso 1 1 calc R
C44 C -0.006(2) 0.8265(13) -0.0134(7) 0.197(9) Uani 1 1 d U
H44 H -0.0607 0.8019 0.0061 0.237 Uiso 1 1 calc R
C45 C 0.4896(6) 0.5840(4) 0.2226(2) 0.0311(16) Uani 1 1 d .
C46 C 0.3910(6) 0.5146(3) 0.2110(2) 0.0270(15) Uani 1 1 d .
C47 C 0.2675(7) 0.5173(4) 0.2239(3) 0.0351(17) Uani 1 1 d .
H47 H 0.2426 0.5641 0.2396 0.042 Uiso 1 1 calc R
C48 C 0.1810(6) 0.4532(4) 0.2141(3) 0.0336(17) Uani 1 1 d .
H48 H 0.0966 0.4560 0.2233 0.040 Uiso 1 1 calc R
C49 C 0.2137(7) 0.3841(4) 0.1910(3) 0.0377(18) Uani 1 1 d .
C50 C 0.3357(7) 0.3805(4) 0.1773(3) 0.051(2) Uani 1 1 d .
H50 H 0.3604 0.3337 0.1614 0.061 Uiso 1 1 calc R
C51 C 0.4231(7) 0.4472(4) 0.1874(3) 0.049(2) Uani 1 1 d .
H51 H 0.5070 0.4454 0.1774 0.059 Uiso 1 1 calc R
C52 C 0.0810(7) 0.1782(4) 0.1942(3) 0.0351(17) Uani 1 1 d .
C53 C 0.1673(7) 0.2447(4) 0.1939(3) 0.042(2) Uani 1 1 d .
H53 H 0.2551 0.2427 0.1991 0.050 Uiso 1 1 calc R
C54 C 0.1230(7) 0.3129(4) 0.1859(3) 0.0368(18) Uani 1 1 d .
C55 C -0.0046(7) 0.3120(4) 0.1753(3) 0.0415(19) Uani 1 1 d .
H55 H -0.0370 0.3577 0.1686 0.050 Uiso 1 1 calc R
C56 C -0.0851(7) 0.2431(4) 0.1743(3) 0.0394(19) Uani 1 1 d .
C57 C 0.0969(7) -0.0295(4) 0.2110(3) 0.0337(17) Uani 1 1 d .
H57 H 0.0505 -0.0790 0.2018 0.040 Uiso 1 1 calc R
C58 C 0.0550(7) 0.0345(4) 0.1949(2) 0.0335(16) Uani 1 1 d .
H58 H -0.0196 0.0290 0.1762 0.040 Uiso 1 1 calc R
C59 C 0.1249(7) 0.1062(4) 0.2068(3) 0.0350(17) Uani 1 1 d .
C60 C 0.2315(8) 0.1100(4) 0.2351(3) 0.048(2) Uani 1 1 d .
H60 H 0.2825 0.1581 0.2437 0.057 Uiso 1 1 calc R
C61 C 0.2623(8) 0.0447(4) 0.2503(3) 0.044(2) Uani 1 1 d .
H61 H 0.3337 0.0491 0.2704 0.053 Uiso 1 1 calc R
C62 C -0.4324(10) 0.1840(6) 0.1727(5) 0.078(3) Uani 1 1 d .
H62 H -0.4872 0.1475 0.1857 0.094 Uiso 1 1 calc R
C63 C -0.3065(8) 0.1877(5) 0.1833(4) 0.063(3) Uani 1 1 d .
H63 H -0.2771 0.1557 0.2034 0.075 Uiso 1 1 calc R
C64 C -0.2222(7) 0.2383(4) 0.1647(3) 0.044(2) Uani 1 1 d .
C65 C -0.2729(8) 0.2826(5) 0.1355(4) 0.059(3) Uani 1 1 d .
H65 H -0.2195 0.3184 0.1215 0.071 Uiso 1 1 calc R
C66 C -0.4023(11) 0.2738(6) 0.1270(5) 0.094(5) Uani 1 1 d .
H66 H -0.4355 0.3032 0.1063 0.113 Uiso 1 1 calc R
C67 C 0.2592(6) 0.7268(4) 0.3103(3) 0.0359(18) Uani 1 1 d .
C68 C 0.3049(6) 0.7026(4) 0.3524(3) 0.0344(17) Uani 1 1 d .
C69 C 0.4220(8) 0.7327(5) 0.3723(3) 0.055(2) Uani 1 1 d .
H69 H 0.4738 0.7701 0.3590 0.066 Uiso 1 1 calc R
C70 C 0.4635(9) 0.7093(6) 0.4107(3) 0.060(3) Uani 1 1 d .
H70 H 0.5458 0.7292 0.4228 0.071 Uiso 1 1 calc R
C71 C 0.3908(8) 0.6576(4) 0.4330(3) 0.044(2) Uani 1 1 d .
C72 C 0.2725(10) 0.6308(6) 0.4141(4) 0.078(4) Uani 1 1 d .
H72 H 0.2180 0.5961 0.4284 0.094 Uiso 1 1 calc R
C73 C 0.2323(9) 0.6533(6) 0.3752(4) 0.081(4) Uani 1 1 d .
H73 H 0.1497 0.6338 0.3633 0.097 Uiso 1 1 calc R
C74 C 0.6037(12) 0.6213(5) 0.5271(3) 0.065(3) Uani 1 1 d .
C75 C 0.5642(10) 0.6471(5) 0.4884(3) 0.053(2) Uani 1 1 d .
H75 H 0.6231 0.6746 0.4715 0.064 Uiso 1 1 calc R
C76 C 0.4380(10) 0.6326(5) 0.4743(3) 0.053(2) Uani 1 1 d .
C77 C 0.3575(10) 0.5920(5) 0.5000(3) 0.059(3) Uani 1 1 d .
H77 H 0.2702 0.5826 0.4914 0.071 Uiso 1 1 calc R
C78 C 0.3975(13) 0.5651(6) 0.5367(4) 0.072(3) Uani 1 1 d .
C79 C 0.9111(18) 0.6005(8) 0.5844(5) 0.106(5) Uani 1 1 d .
H79 H 0.9409 0.5665 0.6032 0.127 Uiso 1 1 calc R
C80 C 0.7871(16) 0.5897(7) 0.5714(4) 0.093(4) Uani 1 1 d .
H80 H 0.7337 0.5497 0.5821 0.112 Uiso 1 1 calc R
C81 C 0.7354(14) 0.6349(6) 0.5432(4) 0.082(4) Uani 1 1 d .
C82 C 0.8219(14) 0.6913(8) 0.5300(5) 0.110(5) Uani 1 1 d .
H82 H 0.7933 0.7252 0.5109 0.132 Uiso 1 1 calc R
C83 C 0.9482(17) 0.7004(10) 0.5435(6) 0.145(7) Uani 1 1 d U
H83 H 1.0041 0.7385 0.5322 0.174 Uiso 1 1 calc R
N12 N 0.1564(11) 0.4241(5) 0.6105(4) 0.137(5) Uani 1 1 d GU
C84 C 0.2791(12) 0.4453(5) 0.6246(3) 0.132(6) Uani 1 1 d GU
H84 H 0.3113 0.4278 0.6506 0.159 Uiso 1 1 calc R
C85 C 0.3557(9) 0.4916(5) 0.6015(3) 0.101(4) Uani 1 1 d GU
H85 H 0.4415 0.5064 0.6114 0.121 Uiso 1 1 calc R
C86 C 0.3097(9) 0.5167(4) 0.5643(3) 0.082(4) Uani 1 1 d GU
C87 C 0.1870(9) 0.4955(6) 0.5502(3) 0.124(6) Uani 1 1 d GU
H87 H 0.1548 0.5130 0.5242 0.149 Uiso 1 1 calc R
C88 C 0.1104(9) 0.4492(6) 0.5733(4) 0.160(7) Uani 1 1 d GU
H88 H 0.0247 0.4344 0.5634 0.192 Uiso 1 1 calc R
C89 C 0.5247(7) 0.9369(4) 0.2736(2) 0.0306(16) Uani 1 1 d .
C90 C 0.6285(6) 1.0019(3) 0.2853(2) 0.0277(15) Uani 1 1 d .
C91 C 0.7481(7) 0.9966(4) 0.2697(3) 0.0321(16) Uani 1 1 d .
H91 H 0.7670 0.9496 0.2523 0.038 Uiso 1 1 calc R
C92 C 0.8408(7) 1.0586(4) 0.2788(3) 0.0400(19) Uani 1 1 d .
H92 H 0.9237 1.0531 0.2687 0.048 Uiso 1 1 calc R
C93 C 0.8150(6) 1.1300(4) 0.3029(2) 0.0300(15) Uani 1 1 d .
C94 C 0.6935(7) 1.1338(4) 0.3193(3) 0.0417(19) Uani 1 1 d .
H94 H 0.6730 1.1808 0.3362 0.050 Uiso 1 1 calc R
C95 C 0.6034(7) 1.0704(4) 0.3111(3) 0.042(2) Uani 1 1 d .
H95 H 0.5225 1.0737 0.3235 0.051 Uiso 1 1 calc R
C96 C 0.9506(7) 1.3341(4) 0.2986(3) 0.0344(17) Uani 1 1 d .
C97 C 0.8649(7) 1.2688(4) 0.2986(3) 0.0372(18) Uani 1 1 d .
H97 H 0.7773 1.2713 0.2932 0.045 Uiso 1 1 calc R
C98 C 0.9077(7) 1.1994(4) 0.3067(3) 0.0342(17) Uani 1 1 d .
C99 C 1.0338(7) 1.2004(4) 0.3171(3) 0.0343(17) Uani 1 1 d .
H99 H 1.0657 1.1545 0.3236 0.041 Uiso 1 1 calc R
C100 C 1.1151(7) 1.2678(4) 0.3181(3) 0.0407(19) Uani 1 1 d .
C101 C 0.9354(7) 1.5443(4) 0.2872(2) 0.0330(16) Uani 1 1 d .
H101 H 0.9827 1.5931 0.2975 0.040 Uiso 1 1 calc R
C102 C 0.9754(7) 1.4795(4) 0.3007(3) 0.0330(16) Uani 1 1 d .
H102 H 1.0496 1.4840 0.3195 0.040 Uiso 1 1 calc R
C103 C 0.9075(7) 1.4067(4) 0.2870(3) 0.0368(18) Uani 1 1 d .
C104 C 0.7981(7) 1.4057(4) 0.2597(3) 0.047(2) Uani 1 1 d .
H104 H 0.7470 1.3581 0.2496 0.056 Uiso 1 1 calc R
C105 C 0.7661(7) 1.4732(4) 0.2478(3) 0.0414(19) Uani 1 1 d .
H105 H 0.6914 1.4711 0.2295 0.050 Uiso 1 1 calc R
C106 C 1.4627(10) 1.3327(7) 0.3232(5) 0.084(4) Uani 1 1 d .
H106 H 1.5188 1.3687 0.3103 0.101 Uiso 1 1 calc R
C107 C 1.3379(8) 1.3275(5) 0.3126(4) 0.065(3) Uani 1 1 d .
H107 H 1.3083 1.3615 0.2938 0.078 Uiso 1 1 calc R
C108 C 1.2529(8) 1.2740(5) 0.3284(3) 0.050(2) Uani 1 1 d .
C109 C 1.3034(9) 1.2282(5) 0.3579(4) 0.065(3) Uani 1 1 d .
H109 H 1.2493 1.1910 0.3706 0.078 Uiso 1 1 calc R
C110 C 1.4303(10) 1.2377(6) 0.3682(5) 0.086(4) Uani 1 1 d .
H110 H 1.4625 1.2065 0.3882 0.103 Uiso 1 1 calc R
C111 C 0.2672(7) 0.7638(4) 0.1815(2) 0.0337(17) Uani 1 1 d .
C112 C 0.2034(7) 0.7300(4) 0.1363(2) 0.0321(17) Uani 1 1 d .
C113 C 0.0880(7) 0.7520(4) 0.1239(2) 0.0360(17) Uani 1 1 d .
H113 H 0.0504 0.7902 0.1434 0.043 Uiso 1 1 calc R
C114 C 0.0281(8) 0.7199(4) 0.0844(2) 0.0391(18) Uani 1 1 d .
H114 H -0.0517 0.7352 0.0769 0.047 Uiso 1 1 calc R
C115 C 0.0808(7) 0.6644(4) 0.0541(2) 0.0334(17) Uani 1 1 d .
C116 C 0.1964(7) 0.6427(4) 0.0661(2) 0.0401(19) Uani 1 1 d .
H116 H 0.2343 0.6053 0.0461 0.048 Uiso 1 1 calc R
C117 C 0.2585(7) 0.6749(5) 0.1071(2) 0.0398(18) Uani 1 1 d .
H117 H 0.3378 0.6593 0.1150 0.048 Uiso 1 1 calc R
C118 C -0.0062(7) 0.5474(4) -0.0608(2) 0.0353(17) Uani 1 1 d .
C119 C 0.0682(7) 0.5857(4) -0.0237(2) 0.0350(17) Uani 1 1 d .
H119 H 0.1572 0.5845 -0.0230 0.042 Uiso 1 1 calc R
C120 C 0.0100(7) 0.6260(4) 0.0125(2) 0.0387(18) Uani 1 1 d .
C121 C -0.1184(7) 0.6277(4) 0.0087(2) 0.0387(18) Uani 1 1 d .
H121 H -0.1611 0.6550 0.0324 0.046 Uiso 1 1 calc R
C122 C -0.1855(7) 0.5899(5) -0.0296(2) 0.0381(18) Uani 1 1 d .
C123 C 0.0213(6) 0.4150(4) -0.1697(2) 0.0307(16) Uani 1 1 d .
H123 H -0.0328 0.3907 -0.1945 0.037 Uiso 1 1 calc R
C124 C -0.0281(6) 0.4645(4) -0.1361(2) 0.0308(16) Uani 1 1 d .
H124 H -0.1132 0.4754 -0.1386 0.037 Uiso 1 1 calc R
C125 C 0.0476(6) 0.4984(4) -0.0983(2) 0.0325(16) Uani 1 1 d .
C126 C 0.1705(7) 0.4783(5) -0.0969(3) 0.050(2) Uani 1 1 d .
H126 H 0.2254 0.4977 -0.0715 0.060 Uiso 1 1 calc R
C127 C 0.2122(7) 0.4296(6) -0.1330(2) 0.048(2) Uani 1 1 d .
H127 H 0.2968 0.4172 -0.1315 0.058 Uiso 1 1 calc R
C128 C -0.5205(11) 0.5392(9) -0.0667(5) 0.124(6) Uani 1 1 d U
H128 H -0.5653 0.5046 -0.0906 0.149 Uiso 1 1 calc R
C129 C -0.3919(10) 0.5395(8) -0.0651(4) 0.109(6) Uani 1 1 d .
H129 H -0.3518 0.5048 -0.0861 0.131 Uiso 1 1 calc R
C130 C -0.3245(7) 0.5892(5) -0.0336(3) 0.046(2) Uani 1 1 d .
C131 C -0.3939(9) 0.6358(8) -0.0065(5) 0.110(6) Uani 1 1 d .
H131 H -0.3526 0.6731 0.0169 0.132 Uiso 1 1 calc R
C132 C -0.5223(10) 0.6300(8) -0.0123(5) 0.103(5) Uani 1 1 d U
H132 H -0.5649 0.6671 0.0061 0.124 Uiso 1 1 calc R
O2W O 0.7456(11) 0.2762(7) 0.4138(5) 0.159(5) Uani 1 1 d .
O3W O 0.7226(19) 0.7617(11) 0.9178(7) 0.247(9) 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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Mn1 O5 103.3(2) . .
O1 Mn1 O3 96.00(19) . .
O5 Mn1 O3 86.55(17) . .
O1 Mn1 O1W 84.6(3) . .
O5 Mn1 O1W 171.1(2) . .
O3 Mn1 O1W 88.69(19) . .
O1 Mn1 N17 164.8(2) . 2_665
O5 Mn1 N17 87.27(19) . 2_665
O3 Mn1 N17 95.4(2) . 2_665
O1W Mn1 N17 85.7(2) . 2_665
O1 Mn1 N14 86.0(2) . 1_545
O5 Mn1 N14 87.58(19) . 1_545
O3 Mn1 N14 174.09(18) . 1_545
O1W Mn1 N14 97.0(2) . 1_545
N17 Mn1 N14 83.7(2) 2_665 1_545
O12 Mn2 O10 137.4(2) . .
O12 Mn2 O7 95.62(19) . .
O10 Mn2 O7 87.97(18) . .
O12 Mn2 N2 129.3(2) . 2_676
O10 Mn2 N2 92.4(2) . 2_676
O7 Mn2 N2 95.2(2) . 2_676
O12 Mn2 N8 86.4(2) . 1_565
O10 Mn2 N8 87.8(2) . 1_565
O7 Mn2 N8 175.4(2) . 1_565
N2 Mn2 N8 86.6(2) 2_676 1_565
O6 Mn3 O2 102.2(2) . .
O6 Mn3 O9 174.4(2) . .
O2 Mn3 O9 82.0(2) . .
O6 Mn3 O11 84.9(2) . .
O2 Mn3 O11 170.9(2) . .
O9 Mn3 O11 90.5(2) . .
O6 Mn3 O3 94.60(18) . .
O2 Mn3 O3 88.04(17) . .
O9 Mn3 O3 89.1(2) . .
O11 Mn3 O3 97.18(18) . .
O6 Mn3 O7 83.92(18) . .
O2 Mn3 O7 87.83(18) . .
O9 Mn3 O7 92.7(2) . .
O11 Mn3 O7 87.24(18) . .
O3 Mn3 O7 175.21(15) . .
C8 N1 C12 117.2(6) . .
C17 N2 C13 116.9(6) . .
C17 N2 Mn2 114.3(5) . 2_676
C13 N2 Mn2 126.0(4) . 2_676
C22 N3 C18 114.5(8) . .
C30 N4 C34 119.7(8) . .
C40 N6 C44 118.7(17) . .
C52 N7 C56 118.4(6) . .
C57 N8 C61 116.9(6) . .
C57 N8 Mn2 123.7(4) . 1_545
C61 N8 Mn2 119.4(5) . 1_545
C62 N9 C66 114.9(9) . .
C74 N10 C78 117.7(9) . .
C79 N11 C83 115.1(14) . .
C96 N13 C100 118.3(6) . .
C101 N14 C105 116.4(6) . .
C101 N14 Mn1 125.4(4) . 1_565
C105 N14 Mn1 118.3(5) . 1_565
C110 N15 C106 117.3(9) . .
C118 N16 C122 118.0(6) . .
C127 N17 C123 117.3(6) . .
C127 N17 Mn1 120.1(5) . 2_665
C123 N17 Mn1 120.8(4) . 2_665
C132 N18 C128 111.8(9) . .
C1 O1 Mn1 131.8(5) . .
C1 O2 Mn3 127.6(4) . .
C23 O3 Mn1 122.5(4) . .
C23 O3 Mn3 129.1(4) . .
Mn1 O3 Mn3 103.08(18) . .
C45 O5 Mn1 126.1(4) . .
C45 O6 Mn3 130.5(5) . .
C67 O7 Mn2 119.9(4) . .
C67 O7 Mn3 131.1(4) . .
Mn2 O7 Mn3 98.77(19) . .
C89 O9 Mn3 126.3(5) . .
C89 O10 Mn2 117.3(4) . .
C111 O11 Mn3 138.2(5) . .
C111 O12 Mn2 125.9(5) . .
O2 C1 O1 123.9(7) . .
O2 C1 C2 120.7(6) . .
O1 C1 C2 115.4(7) . .
C7 C2 C3 117.6(6) . .
C7 C2 C1 123.3(7) . .
C3 C2 C1 119.1(7) . .
C4 C3 C2 122.0(7) . .
C3 C4 C5 118.9(6) . .
C6 C5 C4 118.9(6) . .
C6 C5 C10 120.8(7) . .
C4 C5 C10 120.1(6) . .
C7 C6 C5 118.5(7) . .
C2 C7 C6 124.1(7) . .
N1 C8 C9 123.5(6) . .
N1 C8 C15 114.7(6) . .
C9 C8 C15 121.7(6) . .
C8 C9 C10 119.1(6) . .
C11 C10 C9 116.9(6) . .
C11 C10 C5 120.3(6) . .
C9 C10 C5 122.8(6) . .
C12 C11 C10 121.4(7) . .
N1 C12 C11 122.0(6) . .
N1 C12 C20 115.3(6) . .
C11 C12 C20 122.7(7) . .
N2 C13 C14 124.2(6) . .
C13 C14 C15 119.9(6) . .
C14 C15 C16 116.2(6) . .
C14 C15 C8 121.9(6) . .
C16 C15 C8 121.7(6) . .
C17 C16 C15 118.8(7) . .
N2 C17 C16 123.7(7) . .
N3 C18 C19 124.7(10) . .
C18 C19 C20 120.1(9) . .
C21 C20 C19 115.9(8) . .
C21 C20 C12 123.1(8) . .
C19 C20 C12 121.0(7) . .
C22 C21 C20 119.8(9) . .
N3 C22 C21 124.8(10) . .
O4 C23 O3 125.8(7) . .
O4 C23 C24 116.4(7) . .
O3 C23 C24 117.8(6) . .
C25 C24 C29 117.8(7) . .
C25 C24 C23 119.9(6) . .
C29 C24 C23 122.3(7) . .
C26 C25 C24 120.0(6) . .
C25 C26 C27 123.0(8) . .
C28 C27 C26 116.9(8) . .
C28 C27 C32 122.3(7) . .
C26 C27 C32 120.7(8) . .
C27 C28 C29 121.9(7) . .
C24 C29 C28 120.3(8) . .
N4 C30 C31 125.7(8) . .
N4 C30 C37 117.5(8) . .
C31 C30 C37 116.5(9) . .
C32 C31 C30 114.7(9) . .
C33 C32 C31 119.1(8) . .
C33 C32 C27 121.7(7) . .
C31 C32 C27 119.0(8) . .
C32 C33 C34 121.7(8) . .
N4 C34 C33 119.0(10) . .
N4 C34 C42 118.0(9) . .
C33 C34 C42 122.9(8) . .
C35 N5 C39 120.0 . .
N5 C35 C36 120.0 . .
C37 C36 C35 120.0 . .
C36 C37 C38 120.0 . .
C36 C37 C30 122.3(7) . .
C38 C37 C30 117.2(7) . .
C37 C38 C39 120.0 . .
C38 C39 N5 120.0 . .
C41 C40 N6 121.2(14) . .
C40 C41 C42 123.9(13) . .
C43 C42 C41 115.6(12) . .
C43 C42 C34 123.2(10) . .
C41 C42 C34 121.2(11) . .
C42 C43 C44 121.4(13) . .
C43 C44 N6 118.9(18) . .
O6 C45 O5 125.4(6) . .
O6 C45 C46 117.1(6) . .
O5 C45 C46 117.5(6) . .
C51 C46 C47 118.4(6) . .
C51 C46 C45 120.0(6) . .
C47 C46 C45 121.6(6) . .
C48 C47 C46 120.5(6) . .
C47 C48 C49 121.4(7) . .
C50 C49 C48 119.1(6) . .
C50 C49 C54 120.3(6) . .
C48 C49 C54 120.2(7) . .
C49 C50 C51 118.7(7) . .
C46 C51 C50 121.9(7) . .
N7 C52 C53 122.7(6) . .
N7 C52 C59 117.1(6) . .
C53 C52 C59 120.1(6) . .
C54 C53 C52 119.2(7) . .
C53 C54 C55 118.5(6) . .
C53 C54 C49 118.0(6) . .
C55 C54 C49 123.4(6) . .
C54 C55 C56 119.5(7) . .
N7 C56 C55 121.4(7) . .
N7 C56 C64 116.0(6) . .
C55 C56 C64 122.5(7) . .
N8 C57 C58 124.0(6) . .
C59 C58 C57 118.3(7) . .
C58 C59 C60 117.5(6) . .
C58 C59 C52 121.5(6) . .
C60 C59 C52 120.6(6) . .
C61 C60 C59 119.8(7) . .
N8 C61 C60 123.4(7) . .
N9 C62 C63 126.3(11) . .
C62 C63 C64 119.5(10) . .
C63 C64 C65 116.6(8) . .
C63 C64 C56 121.4(8) . .
C65 C64 C56 122.0(8) . .
C66 C65 C64 119.0(10) . .
N9 C66 C65 123.7(11) . .
O8 C67 O7 124.0(7) . .
O8 C67 C68 119.9(7) . .
O7 C67 C68 116.0(6) . .
C73 C68 C69 116.2(8) . .
C73 C68 C67 122.3(7) . .
C69 C68 C67 121.4(6) . .
C70 C69 C68 120.8(7) . .
C69 C70 C71 122.6(9) . .
C72 C71 C70 116.1(8) . .
C72 C71 C76 122.2(8) . .
C70 C71 C76 121.7(8) . .
C73 C72 C71 121.0(8) . .
C72 C73 C68 123.1(9) . .
N10 C74 C75 121.9(11) . .
N10 C74 C81 116.4(9) . .
C75 C74 C81 121.6(10) . .
C74 C75 C76 119.6(9) . .
C77 C76 C75 117.4(9) . .
C77 C76 C71 120.6(9) . .
C75 C76 C71 122.0(8) . .
C78 C77 C76 122.6(11) . .
C77 C78 N10 120.8(10) . .
C77 C78 C86 122.9(12) . .
N10 C78 C86 116.3(9) . .
N11 C79 C80 124.0(12) . .
C79 C80 C81 122.3(14) . .
C82 C81 C80 113.7(13) . .
C82 C81 C74 123.3(9) . .
C80 C81 C74 122.9(12) . .
C83 C82 C81 122.6(12) . .
N11 C83 C82 122.1(16) . .
C84 N12 C88 120.0 . .
C85 C84 N12 120.0 . .
C86 C85 C84 120.0 . .
C87 C86 C85 120.0 . .
C87 C86 C78 119.8(8) . .
C85 C86 C78 120.1(8) . .
C88 C87 C86 120.0 . .
C87 C88 N12 120.0 . .
O9 C89 O10 124.8(6) . .
O9 C89 C90 118.5(7) . .
O10 C89 C90 116.6(6) . .
C91 C90 C95 118.7(6) . .
C91 C90 C89 121.5(6) . .
C95 C90 C89 119.7(6) . .
C90 C91 C92 120.8(6) . .
C91 C92 C93 121.2(7) . .
C94 C93 C92 117.2(6) . .
C94 C93 C98 121.5(6) . .
C92 C93 C98 121.1(7) . .
C95 C94 C93 120.8(7) . .
C94 C95 C90 121.2(7) . .
N13 C96 C97 122.5(6) . .
N13 C96 C103 117.3(6) . .
C97 C96 C103 120.2(6) . .
C96 C97 C98 119.8(7) . .
C99 C98 C97 117.5(6) . .
C99 C98 C93 124.5(6) . .
C97 C98 C93 117.9(6) . .
C98 C99 C100 120.6(6) . .
N13 C100 C99 121.2(7) . .
N13 C100 C108 114.6(7) . .
C99 C100 C108 124.2(7) . .
N14 C101 C102 123.7(6) . .
C101 C102 C103 120.1(6) . .
C102 C103 C104 116.1(6) . .
C102 C103 C96 122.3(6) . .
C104 C103 C96 121.5(6) . .
C105 C104 C103 119.5(6) . .
N14 C105 C104 124.1(7) . .
C107 C106 N15 122.7(12) . .
C106 C107 C108 121.4(11) . .
C107 C108 C109 115.9(8) . .
C107 C108 C100 122.7(8) . .
C109 C108 C100 121.2(8) . .
C110 C109 C108 119.7(11) . .
N15 C110 C109 122.9(11) . .
O11 C111 O12 127.8(7) . .
O11 C111 C112 117.6(7) . .
O12 C111 C112 114.5(7) . .
C113 C112 C117 119.0(6) . .
C113 C112 C111 120.5(7) . .
C117 C112 C111 120.4(7) . .
C114 C113 C112 120.9(7) . .
C113 C114 C115 121.6(7) . .
C116 C115 C114 117.8(6) . .
C116 C115 C120 121.2(7) . .
C114 C115 C120 120.8(7) . .
C115 C116 C117 121.1(7) . .
C112 C117 C116 119.6(7) . .
N16 C118 C119 122.5(7) . .
N16 C118 C125 115.6(6) . .
C119 C118 C125 121.9(6) . .
C118 C119 C120 119.1(7) . .
C121 C120 C119 117.4(6) . .
C121 C120 C115 120.0(7) . .
C119 C120 C115 122.6(7) . .
C120 C121 C122 120.2(7) . .
N16 C122 C121 122.8(7) . .
N16 C122 C130 116.4(6) . .
C121 C122 C130 120.8(7) . .
N17 C123 C124 123.0(6) . .
C123 C124 C125 119.8(6) . .
C126 C125 C124 116.3(6) . .
C126 C125 C118 123.2(6) . .
C124 C125 C118 120.4(6) . .
C127 C126 C125 119.5(7) . .
N17 C127 C126 123.8(7) . .
N18 C128 C129 127.6(11) . .
C130 C129 C128 118.6(10) . .
C129 C130 C131 114.3(9) . .
C129 C130 C122 120.6(8) . .
C131 C130 C122 125.1(8) . .
C130 C131 C132 120.9(10) . .
N18 C132 C131 126.2(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.076(6) .
Mn1 O5 2.125(5) .
Mn1 O3 2.211(4) .
Mn1 O1W 2.233(6) .
Mn1 N17 2.281(5) 2_665
Mn1 N14 2.307(6) 1_545
Mn2 O12 2.009(5) .
Mn2 O10 2.120(5) .
Mn2 O7 2.132(4) .
Mn2 N2 2.225(6) 2_676
Mn2 N8 2.284(6) 1_565
Mn3 O6 2.105(5) .
Mn3 O2 2.108(5) .
Mn3 O9 2.138(5) .
Mn3 O11 2.164(6) .
Mn3 O3 2.312(4) .
Mn3 O7 2.380(5) .
N1 C8 1.340(9) .
N1 C12 1.355(9) .
N2 C17 1.319(9) .
N2 C13 1.325(8) .
N2 Mn2 2.225(6) 2_676
N3 C22 1.330(14) .
N3 C18 1.334(13) .
N4 C30 1.310(13) .
N4 C34 1.314(12) .
N6 C40 1.31(2) .
N6 C44 1.396(19) .
N7 C52 1.321(9) .
N7 C56 1.372(9) .
N8 C57 1.321(9) .
N8 C61 1.341(9) .
N8 Mn2 2.284(6) 1_545
N9 C62 1.295(15) .
N9 C66 1.357(17) .
N10 C74 1.366(14) .
N10 C78 1.378(15) .
N11 C79 1.35(2) .
N11 C83 1.359(17) .
N13 C96 1.322(9) .
N13 C100 1.371(9) .
N14 C101 1.334(8) .
N14 C105 1.346(9) .
N14 Mn1 2.307(6) 1_565
N15 C110 1.336(16) .
N15 C106 1.352(16) .
N16 C118 1.336(9) .
N16 C122 1.338(9) .
N17 C127 1.309(9) .
N17 C123 1.339(8) .
N17 Mn1 2.281(5) 2_665
N18 C132 1.243(13) .
N18 C128 1.301(14) .
O1 C1 1.256(8) .
O2 C1 1.235(9) .
O3 C23 1.272(8) .
O4 C23 1.256(8) .
O5 C45 1.254(8) .
O6 C45 1.244(8) .
O7 C67 1.288(8) .
O8 C67 1.227(8) .
O9 C89 1.247(9) .
O10 C89 1.258(9) .
O11 C111 1.224(9) .
O12 C111 1.274(9) .
C1 C2 1.494(9) .
C2 C7 1.342(11) .
C2 C3 1.388(9) .
C3 C4 1.381(9) .
C4 C5 1.416(10) .
C5 C6 1.399(10) .
C5 C10 1.495(9) .
C6 C7 1.382(11) .
C8 C9 1.386(9) .
C8 C15 1.494(9) .
C9 C10 1.388(9) .
C10 C11 1.386(10) .
C11 C12 1.364(10) .
C12 C20 1.480(10) .
C13 C14 1.371(9) .
C14 C15 1.386(9) .
C15 C16 1.408(10) .
C16 C17 1.393(10) .
C18 C19 1.366(12) .
C19 C20 1.385(11) .
C20 C21 1.376(12) .
C21 C22 1.376(13) .
C23 C24 1.509(10) .
C24 C25 1.385(10) .
C24 C29 1.388(10) .
C25 C26 1.379(10) .
C26 C27 1.380(10) .
C27 C28 1.353(12) .
C27 C32 1.506(11) .
C28 C29 1.406(12) .
C30 C31 1.434(13) .
C30 C37 1.542(11) .
C31 C32 1.401(11) .
C32 C33 1.360(12) .
C33 C34 1.440(11) .
C34 C42 1.442(15) .
N5 C35 1.374(5) .
N5 C39 1.374(5) .
C35 C36 1.374(5) .
C36 C37 1.374(5) .
C37 C38 1.374(5) .
C38 C39 1.374(5) .
C40 C41 1.296(18) .
C41 C42 1.398(14) .
C42 C43 1.327(19) .
C43 C44 1.39(2) .
C45 C46 1.512(9) .
C46 C51 1.365(9) .
C46 C47 1.382(9) .
C47 C48 1.363(9) .
C48 C49 1.386(10) .
C49 C50 1.376(10) .
C49 C54 1.478(9) .
C50 C51 1.404(10) .
C52 C53 1.404(10) .
C52 C59 1.485(9) .
C53 C54 1.380(10) .
C54 C55 1.386(10) .
C55 C56 1.398(9) .
C56 C64 1.472(10) .
C57 C58 1.395(9) .
C58 C59 1.382(9) .
C59 C60 1.392(10) .
C60 C61 1.360(10) .
C62 C63 1.363(13) .
C63 C64 1.377(12) .
C64 C65 1.390(12) .
C65 C66 1.383(13) .
C67 C68 1.479(10) .
C68 C73 1.364(11) .
C68 C69 1.386(10) .
C69 C70 1.359(11) .
C70 C71 1.382(11) .
C71 C72 1.376(13) .
C71 C76 1.469(11) .
C72 C73 1.360(14) .
C74 C75 1.380(12) .
C74 C81 1.456(16) .
C75 C76 1.385(13) .
C76 C77 1.377(11) .
C77 C78 1.338(14) .
C78 C86 1.532(12) .
C79 C80 1.354(19) .
C80 C81 1.384(13) .
C81 C82 1.383(17) .
C82 C83 1.381(19) .
N12 C84 1.360(5) .
N12 C88 1.360(5) .
C84 C85 1.360(5) .
C85 C86 1.360(5) .
C86 C87 1.360(5) .
C87 C88 1.359(5) .
C89 C90 1.495(9) .
C90 C91 1.374(9) .
C90 C95 1.383(9) .
C91 C92 1.378(9) .
C92 C93 1.405(10) .
C93 C94 1.398(10) .
C93 C98 1.469(9) .
C94 C95 1.375(10) .
C96 C97 1.384(9) .
C96 C103 1.481(9) .
C97 C98 1.394(9) .
C98 C99 1.369(10) .
C99 C100 1.382(10) .
C100 C108 1.481(11) .
C101 C102 1.364(9) .
C102 C103 1.397(9) .
C103 C104 1.406(10) .
C104 C105 1.359(10) .
C106 C107 1.349(13) .
C107 C108 1.373(13) .
C108 C109 1.414(13) .
C109 C110 1.366(13) .
C111 C112 1.513(9) .
C112 C113 1.386(10) .
C112 C117 1.393(10) .
C113 C114 1.351(10) .
C114 C115 1.401(10) .
C115 C116 1.382(11) .
C115 C120 1.477(9) .
C116 C117 1.396(10) .
C118 C119 1.394(10) .
C118 C125 1.478(9) .
C119 C120 1.401(10) .
C120 C121 1.373(10) .
C121 C122 1.381(10) .
C122 C130 1.480(10) .
C123 C124 1.382(9) .
C124 C125 1.395(9) .
C125 C126 1.393(10) .
C126 C127 1.389(10) .
C128 C129 1.368(15) .
C129 C130 1.327(12) .
C130 C131 1.355(12) .
C131 C132 1.365(14) .
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
O5 Mn1 O1 C1 -107.1(8) .
O3 Mn1 O1 C1 -19.2(8) .
O1W Mn1 O1 C1 68.9(8) .
N17 Mn1 O1 C1 119.5(9) 2_665
N14 Mn1 O1 C1 166.4(8) 1_545
O6 Mn3 O2 C1 35.4(6) .
O9 Mn3 O2 C1 -148.3(6) .
O11 Mn3 O2 C1 176.1(12) .
O3 Mn3 O2 C1 -58.9(6) .
O7 Mn3 O2 C1 118.7(6) .
O1 Mn1 O3 C23 117.3(5) .
O5 Mn1 O3 C23 -139.6(5) .
O1W Mn1 O3 C23 32.9(5) .
N17 Mn1 O3 C23 -52.7(5) 2_665
N14 Mn1 O3 C23 -133.6(18) 1_545
O1 Mn1 O3 Mn3 -38.9(2) .
O5 Mn1 O3 Mn3 64.20(19) .
O1W Mn1 O3 Mn3 -123.3(2) .
N17 Mn1 O3 Mn3 151.12(19) 2_665
N14 Mn1 O3 Mn3 70(2) 1_545
O6 Mn3 O3 C23 165.9(6) .
O2 Mn3 O3 C23 -92.1(6) .
O9 Mn3 O3 C23 -10.0(6) .
O11 Mn3 O3 C23 80.4(6) .
O7 Mn3 O3 C23 -122.3(18) .
O6 Mn3 O3 Mn1 -40.2(2) .
O2 Mn3 O3 Mn1 61.9(2) .
O9 Mn3 O3 Mn1 144.0(2) .
O11 Mn3 O3 Mn1 -125.6(2) .
O7 Mn3 O3 Mn1 31.7(19) .
O1 Mn1 O5 C45 27.6(6) .
O3 Mn1 O5 C45 -67.8(6) .
O1W Mn1 O5 C45 -125.5(14) .
N17 Mn1 O5 C45 -163.4(6) 2_665
N14 Mn1 O5 C45 112.9(6) 1_545
O2 Mn3 O6 C45 -107.2(7) .
O9 Mn3 O6 C45 114(2) .
O11 Mn3 O6 C45 78.6(7) .
O3 Mn3 O6 C45 -18.3(7) .
O7 Mn3 O6 C45 166.3(7) .
O12 Mn2 O7 C67 -80.5(6) .
O10 Mn2 O7 C67 142.1(6) .
N2 Mn2 O7 C67 49.9(6) 2_676
N8 Mn2 O7 C67 164(2) 1_565
O12 Mn2 O7 Mn3 68.3(2) .
O10 Mn2 O7 Mn3 -69.1(2) .
N2 Mn2 O7 Mn3 -161.32(19) 2_676
N8 Mn2 O7 Mn3 -48(3) 1_565
O6 Mn3 O7 C67 2.7(6) .
O2 Mn3 O7 C67 -99.8(6) .
O9 Mn3 O7 C67 178.3(6) .
O11 Mn3 O7 C67 87.9(6) .
O3 Mn3 O7 C67 -70(2) .
O6 Mn3 O7 Mn2 -140.7(2) .
O2 Mn3 O7 Mn2 116.8(2) .
O9 Mn3 O7 Mn2 34.9(2) .
O11 Mn3 O7 Mn2 -55.5(2) .
O3 Mn3 O7 Mn2 147.1(18) .
O6 Mn3 O9 C89 86(2) .
O2 Mn3 O9 C89 -53.8(6) .
O11 Mn3 O9 C89 120.9(6) .
O3 Mn3 O9 C89 -141.9(6) .
O7 Mn3 O9 C89 33.6(6) .
O12 Mn2 O10 C89 -18.8(6) .
O7 Mn2 O10 C89 77.3(5) .
N2 Mn2 O10 C89 172.4(5) 2_676
N8 Mn2 O10 C89 -101.1(5) 1_565
O6 Mn3 O11 C111 107.6(8) .
O2 Mn3 O11 C111 -33.9(18) .
O9 Mn3 O11 C111 -69.2(8) .
O3 Mn3 O11 C111 -158.4(8) .
O7 Mn3 O11 C111 23.5(8) .
O10 Mn2 O12 C111 43.4(7) .
O7 Mn2 O12 C111 -49.7(6) .
N2 Mn2 O12 C111 -151.1(5) 2_676
N8 Mn2 O12 C111 126.2(6) 1_565
Mn3 O2 C1 O1 5.9(11) .
Mn3 O2 C1 C2 -173.8(5) .
Mn1 O1 C1 O2 45.9(12) .
Mn1 O1 C1 C2 -134.4(6) .
O2 C1 C2 C7 -161.9(8) .
O1 C1 C2 C7 18.4(11) .
O2 C1 C2 C3 16.5(11) .
O1 C1 C2 C3 -163.2(7) .
C7 C2 C3 C4 -1.2(11) .
C1 C2 C3 C4 -179.7(6) .
C2 C3 C4 C5 2.0(11) .
C3 C4 C5 C6 -1.1(11) .
C3 C4 C5 C10 174.4(6) .
C4 C5 C6 C7 -0.6(12) .
C10 C5 C6 C7 -176.0(7) .
C3 C2 C7 C6 -0.6(13) .
C1 C2 C7 C6 177.9(8) .
C5 C6 C7 C2 1.5(14) .
C12 N1 C8 C9 2.3(11) .
C12 N1 C8 C15 -175.8(6) .
N1 C8 C9 C10 -2.5(11) .
C15 C8 C9 C10 175.5(6) .
C8 C9 C10 C11 1.4(10) .
C8 C9 C10 C5 -176.3(7) .
C6 C5 C10 C11 23.3(11) .
C4 C5 C10 C11 -152.0(7) .
C6 C5 C10 C9 -159.1(8) .
C4 C5 C10 C9 25.6(11) .
C9 C10 C11 C12 -0.2(11) .
C5 C10 C11 C12 177.5(7) .
C8 N1 C12 C11 -1.1(11) .
C8 N1 C12 C20 177.3(7) .
C10 C11 C12 N1 0.1(11) .
C10 C11 C12 C20 -178.2(7) .
C17 N2 C13 C14 -2.7(11) .
Mn2 N2 C13 C14 157.2(6) 2_676
N2 C13 C14 C15 -0.3(11) .
C13 C14 C15 C16 4.4(11) .
C13 C14 C15 C8 179.2(7) .
N1 C8 C15 C14 -8.9(10) .
C9 C8 C15 C14 172.9(7) .
N1 C8 C15 C16 165.6(7) .
C9 C8 C15 C16 -12.6(11) .
C14 C15 C16 C17 -5.6(11) .
C8 C15 C16 C17 179.6(7) .
C13 N2 C17 C16 1.4(12) .
Mn2 N2 C17 C16 -160.9(7) 2_676
C15 C16 C17 N2 2.8(13) .
C22 N3 C18 C19 -1(2) .
N3 C18 C19 C20 -1.7(19) .
C18 C19 C20 C21 1.8(16) .
C18 C19 C20 C12 -176.0(10) .
N1 C12 C20 C21 -179.7(9) .
C11 C12 C20 C21 -1.3(14) .
N1 C12 C20 C19 -2.1(12) .
C11 C12 C20 C19 176.3(9) .
C19 C20 C21 C22 1.1(18) .
C12 C20 C21 C22 178.8(11) .
C18 N3 C22 C21 5(2) .
C20 C21 C22 N3 -5(2) .
Mn1 O3 C23 O4 -42.8(9) .
Mn3 O3 C23 O4 106.8(7) .
Mn1 O3 C23 C24 134.9(5) .
Mn3 O3 C23 C24 -75.5(7) .
O4 C23 C24 C25 173.1(7) .
O3 C23 C24 C25 -4.7(10) .
O4 C23 C24 C29 -6.0(10) .
O3 C23 C24 C29 176.1(7) .
C29 C24 C25 C26 -3.0(11) .
C23 C24 C25 C26 177.8(7) .
C24 C25 C26 C27 1.1(12) .
C25 C26 C27 C28 1.3(13) .
C25 C26 C27 C32 -174.9(7) .
C26 C27 C28 C29 -1.7(13) .
C32 C27 C28 C29 174.5(8) .
C25 C24 C29 C28 2.6(13) .
C23 C24 C29 C28 -178.2(8) .
C27 C28 C29 C24 -0.3(15) .
C34 N4 C30 C31 -4.1(15) .
C34 N4 C30 C37 -178.0(8) .
N4 C30 C31 C32 2.3(14) .
C37 C30 C31 C32 176.2(7) .
C30 C31 C32 C33 -0.2(12) .
C30 C31 C32 C27 -176.4(7) .
C28 C27 C32 C33 -153.4(9) .
C26 C27 C32 C33 22.6(12) .
C28 C27 C32 C31 22.7(12) .
C26 C27 C32 C31 -161.3(8) .
C31 C32 C33 C34 0.0(13) .
C27 C32 C33 C34 176.1(8) .
C30 N4 C34 C33 3.6(14) .
C30 N4 C34 C42 178.3(10) .
C32 C33 C34 N4 -1.7(14) .
C32 C33 C34 C42 -176.1(10) .
C39 N5 C35 C36 0.0 .
N5 C35 C36 C37 0.0 .
C35 C36 C37 C38 0.0 .
C35 C36 C37 C30 -172.2(7) .
N4 C30 C37 C36 171.1(7) .
C31 C30 C37 C36 -3.3(10) .
N4 C30 C37 C38 -1.3(11) .
C31 C30 C37 C38 -175.7(7) .
C36 C37 C38 C39 0.0 .
C30 C37 C38 C39 172.6(7) .
C37 C38 C39 N5 0.0 .
C35 N5 C39 C38 0.0 .
C44 N6 C40 C41 6(4) .
N6 C40 C41 C42 -6(3) .
C40 C41 C42 C43 4(3) .
C40 C41 C42 C34 -176.9(16) .
N4 C34 C42 C43 180.0(15) .
C33 C34 C42 C43 -6(2) .
N4 C34 C42 C41 1.3(17) .
C33 C34 C42 C41 175.8(11) .
C41 C42 C43 C44 -3(3) .
C34 C42 C43 C44 178.5(18) .
C42 C43 C44 N6 3(4) .
C40 N6 C44 C43 -4(4) .
Mn3 O6 C45 O5 39.2(11) .
Mn3 O6 C45 C46 -144.0(5) .
Mn1 O5 C45 O6 14.7(11) .
Mn1 O5 C45 C46 -162.1(4) .
O6 C45 C46 C51 -175.2(8) .
O5 C45 C46 C51 1.8(11) .
O6 C45 C46 C47 4.7(11) .
O5 C45 C46 C47 -178.3(7) .
C51 C46 C47 C48 1.7(12) .
C45 C46 C47 C48 -178.2(7) .
C46 C47 C48 C49 -0.3(12) .
C47 C48 C49 C50 -0.6(12) .
C47 C48 C49 C54 172.2(7) .
C48 C49 C50 C51 0.0(13) .
C54 C49 C50 C51 -172.7(8) .
C47 C46 C51 C50 -2.3(13) .
C45 C46 C51 C50 177.6(8) .
C49 C50 C51 C46 1.4(14) .
C56 N7 C52 C53 -0.6(13) .
C56 N7 C52 C59 177.9(7) .
N7 C52 C53 C54 4.0(13) .
C59 C52 C53 C54 -174.4(8) .
C52 C53 C54 C55 -4.6(13) .
C52 C53 C54 C49 173.0(8) .
C50 C49 C54 C53 38.2(12) .
C48 C49 C54 C53 -134.5(8) .
C50 C49 C54 C55 -144.3(9) .
C48 C49 C54 C55 43.0(12) .
C53 C54 C55 C56 2.1(13) .
C49 C54 C55 C56 -175.4(8) .
C52 N7 C56 C55 -2.1(12) .
C52 N7 C56 C64 -179.0(8) .
C54 C55 C56 N7 1.3(13) .
C54 C55 C56 C64 178.0(8) .
C61 N8 C57 C58 -1.0(11) .
Mn2 N8 C57 C58 177.5(6) 1_545
N8 C57 C58 C59 2.4(12) .
C57 C58 C59 C60 -1.4(12) .
C57 C58 C59 C52 -174.8(7) .
N7 C52 C59 C58 21.2(12) .
C53 C52 C59 C58 -160.3(8) .
N7 C52 C59 C60 -151.9(8) .
C53 C52 C59 C60 26.6(12) .
C58 C59 C60 C61 -0.7(13) .
C52 C59 C60 C61 172.7(8) .
C57 N8 C61 C60 -1.4(13) .
Mn2 N8 C61 C60 -179.9(7) 1_545
C59 C60 C61 N8 2.2(14) .
C66 N9 C62 C63 3.4(19) .
N9 C62 C63 C64 -1.5(18) .
C62 C63 C64 C65 -0.4(14) .
C62 C63 C64 C56 -178.6(9) .
N7 C56 C64 C63 28.0(12) .
C55 C56 C64 C63 -148.9(9) .
N7 C56 C64 C65 -150.2(8) .
C55 C56 C64 C65 33.0(13) .
C63 C64 C65 C66 0.2(14) .
C56 C64 C65 C66 178.4(9) .
C62 N9 C66 C65 -3.6(18) .
C64 C65 C66 N9 1.9(17) .
Mn2 O7 C67 O8 38.6(10) .
Mn3 O7 C67 O8 -98.6(8) .
Mn2 O7 C67 C68 -138.6(5) .
Mn3 O7 C67 C68 84.3(8) .
O8 C67 C68 C73 -1.2(13) .
O7 C67 C68 C73 176.0(9) .
O8 C67 C68 C69 -177.4(8) .
O7 C67 C68 C69 -0.1(11) .
C73 C68 C69 C70 4.4(15) .
C67 C68 C69 C70 -179.2(9) .
C68 C69 C70 C71 -2.9(16) .
C69 C70 C71 C72 -0.1(15) .
C69 C70 C71 C76 179.5(9) .
C70 C71 C72 C73 1.4(17) .
C76 C71 C72 C73 -178.3(11) .
C71 C72 C73 C68 0(2) .
C69 C68 C73 C72 -3.3(17) .
C67 C68 C73 C72 -179.6(11) .
C78 N10 C74 C75 -1.8(14) .
C78 N10 C74 C81 -179.5(9) .
N10 C74 C75 C76 2.2(14) .
C81 C74 C75 C76 179.8(9) .
C74 C75 C76 C77 -0.5(13) .
C74 C75 C76 C71 -179.0(8) .
C72 C71 C76 C77 -11.5(14) .
C70 C71 C76 C77 168.9(9) .
C72 C71 C76 C75 167.0(10) .
C70 C71 C76 C75 -12.6(13) .
C75 C76 C77 C78 -1.6(14) .
C71 C76 C77 C78 176.9(9) .
C76 C77 C78 N10 2.1(15) .
C76 C77 C78 C86 -177.1(9) .
C74 N10 C78 C77 -0.4(15) .
C74 N10 C78 C86 178.9(8) .
C83 N11 C79 C80 -4(2) .
N11 C79 C80 C81 2(2) .
C79 C80 C81 C82 -0.2(19) .
C79 C80 C81 C74 176.7(12) .
N10 C74 C81 C82 -163.0(13) .
C75 C74 C81 C82 19.2(19) .
N10 C74 C81 C80 20.3(16) .
C75 C74 C81 C80 -157.4(11) .
C80 C81 C82 C83 1(2) .
C74 C81 C82 C83 -176.0(15) .
C79 N11 C83 C82 4(3) .
C81 C82 C83 N11 -3(3) .
C88 N12 C84 C85 0.0 .
N12 C84 C85 C86 0.0 .
C84 C85 C86 C87 0.0 .
C84 C85 C86 C78 -176.6(8) .
C77 C78 C86 C87 3.9(12) .
N10 C78 C86 C87 -175.4(7) .
C77 C78 C86 C85 -179.5(8) .
N10 C78 C86 C85 1.3(12) .
C85 C86 C87 C88 0.0 .
C78 C86 C87 C88 176.7(8) .
C86 C87 C88 N12 0.0 .
C84 N12 C88 C87 0.0 .
Mn3 O9 C89 O10 -52.9(10) .
Mn3 O9 C89 C90 131.1(6) .
Mn2 O10 C89 O9 -12.6(9) .
Mn2 O10 C89 C90 163.5(4) .
O9 C89 C90 C91 -13.0(10) .
O10 C89 C90 C91 170.7(7) .
O9 C89 C90 C95 164.6(7) .
O10 C89 C90 C95 -11.7(10) .
C95 C90 C91 C92 -1.1(11) .
C89 C90 C91 C92 176.5(7) .
C90 C91 C92 C93 -2.4(12) .
C91 C92 C93 C94 3.5(12) .
C91 C92 C93 C98 -170.6(7) .
C92 C93 C94 C95 -1.2(12) .
C98 C93 C94 C95 172.9(7) .
C93 C94 C95 C90 -2.3(13) .
C91 C90 C95 C94 3.4(12) .
C89 C90 C95 C94 -174.2(7) .
C100 N13 C96 C97 0.3(12) .
C100 N13 C96 C103 -178.9(7) .
N13 C96 C97 C98 -3.3(13) .
C103 C96 C97 C98 175.8(7) .
C96 C97 C98 C99 3.9(12) .
C96 C97 C98 C93 -175.2(7) .
C94 C93 C98 C99 140.2(8) .
C92 C93 C98 C99 -46.0(11) .
C94 C93 C98 C97 -40.8(11) .
C92 C93 C98 C97 133.0(8) .
C97 C98 C99 C100 -1.7(12) .
C93 C98 C99 C100 177.3(8) .
C96 N13 C100 C99 2.0(12) .
C96 N13 C100 C108 -179.9(8) .
C98 C99 C100 N13 -1.3(13) .
C98 C99 C100 C108 -179.1(8) .
C105 N14 C101 C102 2.5(11) .
Mn1 N14 C101 C102 -176.8(6) 1_565
N14 C101 C102 C103 -1.1(12) .
C101 C102 C103 C104 -0.7(12) .
C101 C102 C103 C96 176.5(7) .
N13 C96 C103 C102 -23.3(12) .
C97 C96 C103 C102 157.5(8) .
N13 C96 C103 C104 153.9(8) .
C97 C96 C103 C104 -25.4(12) .
C102 C103 C104 C105 1.1(13) .
C96 C103 C104 C105 -176.2(8) .
C101 N14 C105 C104 -2.2(12) .
Mn1 N14 C105 C104 177.2(7) 1_565
C103 C104 C105 N14 0.4(14) .
C110 N15 C106 C107 1.4(18) .
N15 C106 C107 C108 -3.2(18) .
C106 C107 C108 C109 3.1(15) .
C106 C107 C108 C100 178.7(10) .
N13 C100 C108 C107 -24.7(13) .
C99 C100 C108 C107 153.3(9) .
N13 C100 C108 C109 150.7(8) .
C99 C100 C108 C109 -31.3(13) .
C107 C108 C109 C110 -1.5(14) .
C100 C108 C109 C110 -177.2(9) .
C106 N15 C110 C109 0.3(17) .
C108 C109 C110 N15 -0.1(17) .
Mn3 O11 C111 O12 6.8(14) .
Mn3 O11 C111 C112 -172.5(5) .
Mn2 O12 C111 O11 6.9(11) .
Mn2 O12 C111 C112 -173.8(4) .
O11 C111 C112 C113 -175.2(7) .
O12 C111 C112 C113 5.5(10) .
O11 C111 C112 C117 6.4(10) .
O12 C111 C112 C117 -172.9(6) .
C117 C112 C113 C114 1.0(11) .
C111 C112 C113 C114 -177.4(7) .
C112 C113 C114 C115 -1.2(12) .
C113 C114 C115 C116 0.6(12) .
C113 C114 C115 C120 175.7(7) .
C114 C115 C116 C117 0.2(12) .
C120 C115 C116 C117 -175.0(7) .
C113 C112 C117 C116 -0.3(11) .
C111 C112 C117 C116 178.1(7) .
C115 C116 C117 C112 -0.3(12) .
C122 N16 C118 C119 -0.7(12) .
C122 N16 C118 C125 176.5(7) .
N16 C118 C119 C120 2.3(12) .
C125 C118 C119 C120 -174.7(7) .
C118 C119 C120 C121 -2.3(12) .
C118 C119 C120 C115 176.6(7) .
C116 C115 C120 C121 157.5(8) .
C114 C115 C120 C121 -17.5(12) .
C116 C115 C120 C119 -21.4(12) .
C114 C115 C120 C119 163.6(8) .
C119 C120 C121 C122 0.8(12) .
C115 C120 C121 C122 -178.1(8) .
C118 N16 C122 C121 -0.9(12) .
C118 N16 C122 C130 -178.2(7) .
C120 C121 C122 N16 0.8(13) .
C120 C121 C122 C130 178.0(8) .
C127 N17 C123 C124 4.7(11) .
Mn1 N17 C123 C124 -160.4(6) 2_665
N17 C123 C124 C125 -2.7(11) .
C123 C124 C125 C126 -1.0(11) .
C123 C124 C125 C118 -176.0(7) .
N16 C118 C125 C126 -168.3(8) .
C119 C118 C125 C126 8.9(13) .
N16 C118 C125 C124 6.4(11) .
C119 C118 C125 C124 -176.4(7) .
C124 C125 C126 C127 2.7(13) .
C118 C125 C126 C127 177.6(8) .
C123 N17 C127 C126 -2.8(14) .
Mn1 N17 C127 C126 162.3(7) 2_665
C125 C126 C127 N17 -0.8(15) .
C132 N18 C128 C129 7(3) .
N18 C128 C129 C130 -3(3) .
C128 C129 C130 C131 -1(2) .
C128 C129 C130 C122 178.1(13) .
N16 C122 C130 C129 12.5(15) .
C121 C122 C130 C129 -164.9(12) .
N16 C122 C130 C131 -168.6(12) .
C121 C122 C130 C131 14.0(16) .
C129 C130 C131 C132 0(2) .
C122 C130 C131 C132 -178.9(13) .
C128 N18 C132 C131 -8(3) .
C130 C131 C132 N18 5(3) .
