#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:15:46 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179565 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/34/4503491.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_4503491
loop_
_publ_author_name
'Liu, Yaru'
'Hou, Hongwei'
'Chen, Qianru'
'Fan, Yaoting'
_publ_section_title
;
 From Multifunctional Precursor to Novel Reaction Products:
 Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl
 Carboxylate Complexes
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1435
_journal_paper_doi               10.1021/cg701221f
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C220 H246 Fe10 N10 O58 Zn10'
_chemical_formula_weight         5170.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.376(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   25.349(3)
_cell_length_b                   21.983(2)
_cell_length_c                   26.491(3)
_cell_measurement_reflns_used    5093
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      16.54
_cell_measurement_theta_min      2.39
_cell_volume                     13109(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      291(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1736
_diffrn_reflns_av_sigmaI/netI    0.2709
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            68784
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    1.500
_exptl_absorpt_correction_T_max  0.8645
_exptl_absorpt_correction_T_min  0.5209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5320
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.992
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1262
_refine_ls_number_reflns         23952
_refine_ls_number_restraints     820
_refine_ls_restrained_S_all      0.931
_refine_ls_R_factor_all          0.3000
_refine_ls_R_factor_gt           0.0902
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1403P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2088
_refine_ls_wR_factor_ref         0.3210
_reflns_number_gt                6209
_reflns_number_total             23952
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg701221f-file001.cif
_cod_data_source_block           w2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 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      P2(1)/c
_cod_database_code               4503491
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.06517(3) 0.67858(3) 0.43027(3) 0.0948(3) Uani 1 1 d .
Zn2 Zn 0.17157(3) 0.62755(3) 0.53329(3) 0.0830(3) Uani 1 1 d .
Zn3 Zn 0.21126(3) 0.52752(3) 0.62170(3) 0.0803(3) Uani 1 1 d .
Zn4 Zn 0.17159(3) 0.41906(3) 0.66625(3) 0.0847(3) Uani 1 1 d .
Zn5 Zn 0.06675(3) 0.33859(3) 0.64563(3) 0.0937(3) Uani 1 1 d .
O1 O 0.05681(14) 0.71165(18) 0.35480(16) 0.0969(15) Uani 1 1 d U
O2 O -0.04034(14) 0.70031(17) 0.30084(16) 0.0945(14) Uani 1 1 d U
O3 O 0.0677(2) 0.6552(2) 0.2523(3) 0.203(3) Uani 1 1 d DU
O4 O 0.11197(14) 0.75623(14) 0.46593(18) 0.0973(16) Uani 1 1 d U
O5 O 0.19115(14) 0.71767(14) 0.54200(15) 0.0831(14) Uani 1 1 d U
O6 O 0.1451(3) 0.9206(3) 0.5577(2) 0.248(4) Uani 1 1 d DU
O7 O 0.25712(12) 0.61367(14) 0.54667(14) 0.0689(12) Uani 1 1 d U
O8 O 0.28421(12) 0.53694(15) 0.60847(13) 0.0673(12) Uani 1 1 d U
O9 O 0.4281(2) 0.55752(17) 0.68829(17) 0.142(2) Uani 1 1 d DU
O10 O 0.26601(13) 0.53256(15) 0.70574(14) 0.0743(13) Uani 1 1 d U
O11 O 0.23601(13) 0.45387(15) 0.73941(14) 0.0741(13) Uani 1 1 d U
O12 O 0.24752(18) 0.5364(2) 0.84425(18) 0.144(2) Uani 1 1 d DU
O13 O 0.21274(13) 0.33727(15) 0.69452(17) 0.0915(15) Uani 1 1 d U
O14 O 0.13569(14) 0.27638(14) 0.67852(18) 0.0961(16) Uani 1 1 d U
O15 O 0.2367(3) 0.1735(3) 0.8185(2) 0.193(3) Uani 1 1 d DU
O16 O -0.01202(13) 0.71712(14) 0.41547(16) 0.0787(13) Uani 1 1 d U
H16D H -0.0166 0.7016 0.4479 0.094 Uiso 1 1 calc R
O17 O 0.00861(12) 0.61331(13) 0.38765(13) 0.0637(11) Uani 1 1 d U
O18 O 0.14021(12) 0.63433(15) 0.44949(13) 0.0670(12) Uani 1 1 d U
H18D H 0.1241 0.5932 0.4386 0.080 Uiso 1 1 calc R
O19 O 0.08747(11) 0.64903(13) 0.50662(13) 0.0614(11) Uani 1 1 d U
O20 O 0.19652(13) 0.61631(13) 0.61457(13) 0.0622(11) Uani 1 1 d U
H20D H 0.1561 0.6136 0.6104 0.075 Uiso 1 1 calc R
O21 O 0.16283(12) 0.53952(12) 0.54022(13) 0.0599(11) Uani 1 1 d U
O22 O 0.21984(12) 0.43769(14) 0.62694(13) 0.0651(12) Uani 1 1 d U
H22D H 0.1905 0.4274 0.5881 0.078 Uiso 1 1 calc R
O23 O 0.14678(11) 0.50172(13) 0.63922(13) 0.0601(11) Uani 1 1 d U
O24 O 0.11783(12) 0.40040(14) 0.69967(13) 0.0657(12) Uani 1 1 d U
H24 H 0.0913 0.4357 0.6863 0.079 Uiso 1 1 calc R
O25 O 0.10471(12) 0.37811(14) 0.60490(12) 0.0608(11) Uani 1 1 d U
O26 O 0.3868(4) 0.3598(4) 0.8737(3) 0.288(5) Uani 1 1 d .
H26C H 0.3780 0.3902 0.8514 0.346 Uiso 1 1 d R
H26D H 0.4244 0.3572 0.8915 0.346 Uiso 1 1 d R
O27 O 0.3917(5) 0.6913(4) 0.6879(4) 0.369(6) Uani 1 1 d .
H27C H 0.4080 0.6564 0.6954 0.443 Uiso 1 1 d R
H27D H 0.4173 0.7177 0.7079 0.443 Uiso 1 1 d R
O28 O 0.1587(4) 0.1182(4) 0.6108(5) 0.372(7) Uani 1 1 d .
H28C H 0.1443 0.1532 0.6104 0.447 Uiso 1 1 d R
H28D H 0.1601 0.1141 0.5795 0.447 Uiso 1 1 d R
O29 O 0.3259(6) 0.4243(4) 0.5084(4) 0.528(7) Uani 1 1 d .
H29C H 0.3182 0.4038 0.5314 0.634 Uiso 1 1 d R
H29D H 0.3101 0.4066 0.4763 0.634 Uiso 1 1 d R
N1 N 0.0666(2) 0.7549(3) 0.2621(2) 0.136(2) Uani 1 1 d U
H1N H 0.0835 0.7890 0.2625 0.163 Uiso 1 1 calc R
N2 N 0.1533(2) 0.8705(2) 0.4877(3) 0.160(3) Uani 1 1 d U
H2N H 0.1532 0.8753 0.4554 0.192 Uiso 1 1 calc R
N3 N 0.38628(16) 0.51775(19) 0.60296(19) 0.0830(16) Uani 1 1 d U
H3N H 0.3842 0.4866 0.5825 0.100 Uiso 1 1 calc R
N4 N 0.31983(19) 0.4789(2) 0.85008(18) 0.0938(18) Uani 1 1 d U
H4N H 0.3459 0.4518 0.8690 0.113 Uiso 1 1 calc R
N5 N 0.2052(2) 0.1773(2) 0.7288(3) 0.120(2) Uani 1 1 d U
H5N H 0.1875 0.1579 0.6972 0.144 Uiso 1 1 calc R
C1 C 0.0099(2) 0.7194(3) 0.3121(2) 0.093(2) Uani 1 1 d U
C2 C 0.0120(3) 0.7571(3) 0.2655(3) 0.117(2) Uani 1 1 d U
C3 C -0.0341(3) 0.7868(3) 0.2302(3) 0.127(3) Uani 1 1 d U
H3 H -0.0665 0.7847 0.2378 0.152 Uiso 1 1 calc R
C4 C -0.04445(18) 0.82435(19) 0.17884(16) 0.117(2) Uani 1 1 d GU
C5 C -0.0942(2) 0.8584(3) 0.1495(2) 0.156(3) Uani 1 1 d GU
H5 H -0.1269 0.8637 0.1592 0.187 Uiso 1 1 calc R
C6 C -0.0901(3) 0.8849(3) 0.1049(3) 0.156(3) Uani 1 1 d GU
H6 H -0.1198 0.9116 0.0764 0.187 Uiso 1 1 calc R
C7 C -0.0378(3) 0.8671(3) 0.1067(3) 0.142(3) Uani 1 1 d GU
H7 H -0.0239 0.8777 0.0789 0.170 Uiso 1 1 calc R
C8 C -0.0096(2) 0.8297(3) 0.1524(2) 0.126(3) Uani 1 1 d GU
H8 H 0.0283 0.8087 0.1632 0.152 Uiso 1 1 calc R
Fe1 Fe -0.08890(6) 0.79754(7) 0.10166(6) 0.1631(6) Uani 1 1 d .
C9 C -0.1212(4) 0.7130(3) 0.1112(4) 0.335(5) Uani 1 1 d GU
H9 H -0.1155 0.6949 0.1472 0.403 Uiso 1 1 calc R
C10 C -0.0808(5) 0.7055(5) 0.0844(5) 0.347(5) Uani 1 1 d GU
H10 H -0.0438 0.6819 0.1000 0.416 Uiso 1 1 calc R
C11 C -0.1047(7) 0.7437(6) 0.0315(6) 0.350(5) Uani 1 1 d GU
H11 H -0.0864 0.7489 0.0062 0.420 Uiso 1 1 calc R
C12 C -0.1599(7) 0.7749(5) 0.0257(6) 0.335(5) Uani 1 1 d GU
H12 H -0.1845 0.8034 -0.0045 0.402 Uiso 1 1 calc R
C13 C -0.1701(5) 0.7559(5) 0.0749(5) 0.339(5) Uani 1 1 d GU
H13 H -0.2024 0.7700 0.0826 0.407 Uiso 1 1 calc R
C14 C 0.09362(17) 0.7037(3) 0.2584(3) 0.160(3) Uani 1 1 d DU
C15 C 0.14872(16) 0.7139(3) 0.2560(2) 0.202(3) Uani 1 1 d GDU
C16 C 0.1880(2) 0.7578(3) 0.2850(3) 0.228(4) Uani 1 1 d GU
H16 H 0.1785 0.7868 0.3050 0.273 Uiso 1 1 calc R
C17 C 0.2411(3) 0.7596(4) 0.2851(4) 0.250(4) Uani 1 1 d GU
H17 H 0.2683 0.7899 0.3052 0.300 Uiso 1 1 calc R
C18 C 0.2549(3) 0.7175(5) 0.2562(4) 0.241(4) Uani 1 1 d GU
H18 H 0.2916 0.7188 0.2563 0.289 Uiso 1 1 calc R
C19 C 0.2156(4) 0.6737(4) 0.2272(4) 0.272(5) Uani 1 1 d GU
H19 H 0.2251 0.6446 0.2072 0.326 Uiso 1 1 calc R
C20 C 0.1625(3) 0.6719(3) 0.2271(3) 0.248(4) Uani 1 1 d GU
H20 H 0.1353 0.6415 0.2070 0.298 Uiso 1 1 calc R
C21 C 0.1615(2) 0.7596(2) 0.5096(2) 0.0810(19) Uani 1 1 d U
C22 C 0.1877(2) 0.8237(2) 0.5257(3) 0.106(2) Uani 1 1 d U
C23 C 0.2399(2) 0.8304(3) 0.5688(3) 0.102(2) Uani 1 1 d U
H23 H 0.2564 0.7953 0.5898 0.122 Uiso 1 1 calc R
C24 C 0.27711(14) 0.88637(14) 0.58936(16) 0.111(2) Uani 1 1 d GU
C25 C 0.2703(2) 0.94129(18) 0.5586(2) 0.116(3) Uani 1 1 d GU
H25 H 0.2369 0.9516 0.5218 0.139 Uiso 1 1 calc R
C26 C 0.3218(3) 0.9775(2) 0.5894(3) 0.126(3) Uani 1 1 d GU
H26 H 0.3295 1.0176 0.5781 0.151 Uiso 1 1 calc R
C27 C 0.3604(2) 0.9449(2) 0.6392(3) 0.141(3) Uani 1 1 d GU
H27 H 0.3991 0.9590 0.6686 0.169 Uiso 1 1 calc R
C28 C 0.33275(19) 0.8886(2) 0.63918(19) 0.119(3) Uani 1 1 d GU
H28 H 0.3493 0.8568 0.6682 0.143 Uiso 1 1 calc R
Fe2 Fe 0.34607(4) 0.89716(5) 0.57056(5) 0.1253(5) Uani 1 1 d .
C29 C 0.3354(2) 0.8790(3) 0.4917(2) 0.206(4) Uani 1 1 d GU
H29 H 0.2990 0.8851 0.4561 0.248 Uiso 1 1 calc R
C30 C 0.3508(3) 0.8267(3) 0.5245(3) 0.191(3) Uani 1 1 d GU
H30 H 0.3274 0.7892 0.5160 0.229 Uiso 1 1 calc R
C31 C 0.4062(4) 0.8360(4) 0.5704(3) 0.210(4) Uani 1 1 d GU
H31 H 0.4284 0.8064 0.6005 0.252 Uiso 1 1 calc R
C32 C 0.4249(3) 0.8940(4) 0.5660(3) 0.212(4) Uani 1 1 d GU
H32 H 0.4624 0.9130 0.5927 0.254 Uiso 1 1 calc R
C33 C 0.3812(3) 0.9206(3) 0.5173(3) 0.210(4) Uani 1 1 d GU
H33 H 0.3824 0.9616 0.5035 0.252 Uiso 1 1 calc R
C34 C 0.1157(4) 0.9128(3) 0.5063(2) 0.240(4) Uani 1 1 d DU
C35 C 0.0912(2) 0.9600(2) 0.4645(3) 0.298(4) Uani 1 1 d GDU
C36 C 0.0901(3) 0.9667(3) 0.4108(3) 0.291(5) Uani 1 1 d GU
H36 H 0.1101 0.9389 0.3992 0.349 Uiso 1 1 calc R
C37 C 0.0586(4) 1.0156(4) 0.3747(4) 0.326(5) Uani 1 1 d GU
H37 H 0.0579 1.0200 0.3395 0.391 Uiso 1 1 calc R
C38 C 0.0282(4) 1.0580(4) 0.3923(5) 0.352(5) Uani 1 1 d GU
H38 H 0.0075 1.0901 0.3687 0.423 Uiso 1 1 calc R
C39 C 0.0293(4) 1.0513(4) 0.4460(5) 0.367(5) Uani 1 1 d GU
H39 H 0.0094 1.0791 0.4576 0.441 Uiso 1 1 calc R
C40 C 0.0608(3) 1.0023(3) 0.4821(4) 0.364(5) Uani 1 1 d GU
H40 H 0.0616 0.9979 0.5173 0.437 Uiso 1 1 calc R
C41 C 0.29305(19) 0.5731(2) 0.5773(2) 0.0645(17) Uani 1 1 d U
C42 C 0.3508(2) 0.5690(2) 0.5745(2) 0.0730(18) Uani 1 1 d U
C43 C 0.3654(2) 0.6100(2) 0.5465(2) 0.0817(19) Uani 1 1 d U
H43 H 0.3392 0.6424 0.5316 0.098 Uiso 1 1 calc R
C44 C 0.41559(13) 0.61139(17) 0.53623(15) 0.1017(19) Uani 1 1 d GU
C45 C 0.4534(2) 0.5633(2) 0.5364(3) 0.121(2) Uani 1 1 d GU
H45 H 0.4515 0.5209 0.5469 0.145 Uiso 1 1 calc R
C46 C 0.4941(3) 0.5876(3) 0.5184(3) 0.148(3) Uani 1 1 d GU
H46 H 0.5252 0.5649 0.5143 0.178 Uiso 1 1 calc R
C47 C 0.4815(3) 0.6508(3) 0.5072(3) 0.162(3) Uani 1 1 d GU
H47 H 0.5018 0.6789 0.4931 0.195 Uiso 1 1 calc R
C48 C 0.4330(2) 0.6655(2) 0.5182(3) 0.137(3) Uani 1 1 d GU
H48 H 0.4138 0.7053 0.5126 0.165 Uiso 1 1 calc R
Fe3 Fe 0.41048(5) 0.59830(6) 0.45869(5) 0.1511(5) Uani 1 1 d .
C49 C 0.3630(3) 0.5318(4) 0.3988(2) 0.262(4) Uani 1 1 d GU
H49 H 0.3625 0.4905 0.4059 0.314 Uiso 1 1 calc R
C50 C 0.3264(4) 0.5729(5) 0.4006(3) 0.253(4) Uani 1 1 d GU
H50 H 0.2954 0.5658 0.4093 0.304 Uiso 1 1 calc R
C51 C 0.3414(5) 0.6258(5) 0.3881(4) 0.263(4) Uani 1 1 d GU
H51 H 0.3227 0.6627 0.3863 0.316 Uiso 1 1 calc R
C52 C 0.3872(5) 0.6174(5) 0.3785(4) 0.266(4) Uani 1 1 d GU
H52 H 0.4068 0.6474 0.3687 0.319 Uiso 1 1 calc R
C53 C 0.4006(4) 0.5593(5) 0.3851(4) 0.256(4) Uani 1 1 d GU
H53 H 0.4313 0.5409 0.3808 0.307 Uiso 1 1 calc R
C54 C 0.4221(2) 0.51386(16) 0.6580(2) 0.107(3) Uani 1 1 d DU
C55 C 0.44687(18) 0.45418(15) 0.6795(2) 0.145(3) Uani 1 1 d GDU
C56 C 0.4550(3) 0.4373(2) 0.7334(2) 0.196(4) Uani 1 1 d GU
H56 H 0.4427 0.4631 0.7538 0.236 Uiso 1 1 calc R
C57 C 0.4817(4) 0.3817(3) 0.7568(3) 0.241(5) Uani 1 1 d GU
H57 H 0.4871 0.3704 0.7927 0.289 Uiso 1 1 calc R
C58 C 0.5002(3) 0.3429(3) 0.7262(4) 0.221(4) Uani 1 1 d GU
H58 H 0.5179 0.3058 0.7418 0.265 Uiso 1 1 calc R
C59 C 0.4920(3) 0.3598(3) 0.6723(4) 0.198(4) Uani 1 1 d GU
H59 H 0.5044 0.3340 0.6519 0.237 Uiso 1 1 calc R
C60 C 0.4654(3) 0.4154(2) 0.6489(3) 0.176(3) Uani 1 1 d GU
H60 H 0.4600 0.4267 0.6130 0.212 Uiso 1 1 calc R
C61 C 0.2707(2) 0.4979(3) 0.7454(2) 0.076(2) Uani 1 1 d U
C62 C 0.3231(2) 0.5064(2) 0.8019(2) 0.0730(18) Uani 1 1 d U
C63 C 0.3734(2) 0.5319(2) 0.8076(2) 0.0731(19) Uani 1 1 d U
H63 H 0.3713 0.5466 0.7739 0.088 Uiso 1 1 calc R
C64 C 0.43100(12) 0.54094(12) 0.85719(14) 0.0679(18) Uani 1 1 d GU
C65 C 0.44504(17) 0.53874(17) 0.91421(17) 0.084(2) Uani 1 1 d GU
H65 H 0.4175 0.5292 0.9296 0.101 Uiso 1 1 calc R
C66 C 0.5049(2) 0.5518(2) 0.9456(2) 0.105(3) Uani 1 1 d GU
H66 H 0.5270 0.5538 0.9872 0.126 Uiso 1 1 calc R
C67 C 0.52784(19) 0.5621(2) 0.9080(2) 0.097(2) Uani 1 1 d GU
H67 H 0.5691 0.5727 0.9182 0.116 Uiso 1 1 calc R
C68 C 0.48218(16) 0.55539(18) 0.85334(18) 0.079(2) Uani 1 1 d GU
H68 H 0.4856 0.5597 0.8181 0.094 Uiso 1 1 calc R
Fe4 Fe 0.46134(4) 0.62178(4) 0.89310(4) 0.0868(3) Uani 1 1 d .
C69 C 0.4033(2) 0.68281(14) 0.9007(2) 0.168(3) Uani 1 1 d GU
H69 H 0.3707 0.6726 0.9092 0.202 Uiso 1 1 calc R
C70 C 0.3994(3) 0.6881(2) 0.8482(3) 0.175(4) Uani 1 1 d GU
H70 H 0.3635 0.6822 0.8120 0.210 Uiso 1 1 calc R
C71 C 0.4537(4) 0.7040(3) 0.8543(4) 0.149(3) Uani 1 1 d GU
H71 H 0.4637 0.7125 0.8234 0.179 Uiso 1 1 calc R
C72 C 0.4911(3) 0.7086(2) 0.9106(4) 0.172(4) Uani 1 1 d GU
H72 H 0.5327 0.7216 0.9275 0.206 Uiso 1 1 calc R
C73 C 0.4599(3) 0.6955(2) 0.9393(3) 0.178(4) Uani 1 1 d GU
H73 H 0.4752 0.6969 0.9806 0.214 Uiso 1 1 calc R
C74 C 0.2794(2) 0.4926(2) 0.86704(19) 0.110(3) Uani 1 1 d DU
C75 C 0.27462(16) 0.45849(17) 0.91145(13) 0.112(2) Uani 1 1 d GDU
C76 C 0.22244(18) 0.4613(2) 0.91485(18) 0.139(3) Uani 1 1 d GU
H76 H 0.1919 0.4864 0.8903 0.166 Uiso 1 1 calc R
C77 C 0.2152(3) 0.4271(3) 0.9544(2) 0.152(3) Uani 1 1 d GU
H77 H 0.1797 0.4290 0.9567 0.182 Uiso 1 1 calc R
C78 C 0.2602(3) 0.3902(3) 0.9905(2) 0.155(3) Uani 1 1 d GU
H78 H 0.2552 0.3670 1.0174 0.186 Uiso 1 1 calc R
C79 C 0.3124(3) 0.3874(2) 0.9871(2) 0.157(3) Uani 1 1 d GU
H79 H 0.3429 0.3623 1.0117 0.188 Uiso 1 1 calc R
C80 C 0.31957(19) 0.4216(2) 0.94761(17) 0.135(3) Uani 1 1 d GU
H80 H 0.3551 0.4197 0.9453 0.162 Uiso 1 1 calc R
C81 C 0.1898(2) 0.2867(2) 0.6972(3) 0.099(2) Uani 1 1 d U
C82 C 0.2321(2) 0.2373(3) 0.7260(3) 0.115(2) Uani 1 1 d U
C83 C 0.2890(3) 0.2455(3) 0.7481(3) 0.127(3) Uani 1 1 d U
H83 H 0.3007 0.2847 0.7445 0.152 Uiso 1 1 calc R
C84 C 0.3397(2) 0.2010(2) 0.7789(2) 0.147(3) Uani 1 1 d GU
C85 C 0.3987(3) 0.2191(3) 0.8045(3) 0.164(3) Uani 1 1 d GU
H85 H 0.4131 0.2610 0.8086 0.197 Uiso 1 1 calc R
C86 C 0.4338(3) 0.1672(4) 0.8202(4) 0.198(4) Uani 1 1 d GU
H86 H 0.4773 0.1661 0.8396 0.238 Uiso 1 1 calc R
C87 C 0.3964(4) 0.1170(4) 0.8043(4) 0.190(4) Uani 1 1 d GU
H87 H 0.4089 0.0744 0.8117 0.229 Uiso 1 1 calc R
C88 C 0.3383(3) 0.1379(3) 0.7788(3) 0.191(4) Uani 1 1 d GU
H88 H 0.3025 0.1126 0.7635 0.230 Uiso 1 1 calc R
Fe5 Fe 0.38320(4) 0.16214(5) 0.73834(6) 0.1391(5) Uani 1 1 d .
C89 C 0.3429(3) 0.1262(3) 0.6599(2) 0.232(4) Uani 1 1 d GU
H89 H 0.3097 0.0973 0.6458 0.278 Uiso 1 1 calc R
C90 C 0.3383(4) 0.1871(3) 0.6572(3) 0.220(4) Uani 1 1 d GU
H90 H 0.3013 0.2105 0.6403 0.264 Uiso 1 1 calc R
C91 C 0.3935(5) 0.2104(4) 0.6810(4) 0.218(4) Uani 1 1 d GU
H91 H 0.4038 0.2537 0.6839 0.262 Uiso 1 1 calc R
C92 C 0.4322(4) 0.1638(5) 0.6984(4) 0.203(4) Uani 1 1 d GU
H92 H 0.4756 0.1672 0.7163 0.244 Uiso 1 1 calc R
C93 C 0.4009(3) 0.1118(4) 0.6854(3) 0.218(4) Uani 1 1 d GU
H93 H 0.4175 0.0706 0.6927 0.262 Uiso 1 1 calc R
C94 C 0.2052(3) 0.1513(2) 0.7721(2) 0.143(3) Uani 1 1 d DU
C95 C 0.17339(17) 0.09524(18) 0.76579(19) 0.144(3) Uani 1 1 d GDU
C96 C 0.1201(2) 0.0891(2) 0.7217(2) 0.185(4) Uani 1 1 d GU
H96 H 0.1042 0.1203 0.6953 0.222 Uiso 1 1 calc R
C97 C 0.0893(3) 0.0384(3) 0.7153(3) 0.210(4) Uani 1 1 d GU
H97 H 0.0519 0.0340 0.6844 0.252 Uiso 1 1 calc R
C98 C 0.1119(4) -0.0062(3) 0.7529(4) 0.201(4) Uani 1 1 d GU
H98 H 0.0904 -0.0418 0.7484 0.241 Uiso 1 1 calc R
C99 C 0.1653(3) 0.0000(3) 0.7970(3) 0.197(4) Uani 1 1 d GU
H99 H 0.1811 -0.0313 0.8234 0.237 Uiso 1 1 calc R
C100 C 0.1960(2) 0.0507(2) 0.8034(2) 0.177(4) Uani 1 1 d GU
H100 H 0.2334 0.0550 0.8343 0.213 Uiso 1 1 calc R
C101 C -0.0232(2) 0.7802(2) 0.4187(3) 0.107(3) Uani 1 1 d U
H101 H -0.0044 0.8035 0.4008 0.161 Uiso 1 1 calc R
H103 H -0.0075 0.7920 0.4578 0.161 Uiso 1 1 calc R
H102 H -0.0652 0.7874 0.3995 0.161 Uiso 1 1 calc R
C102 C 0.0229(2) 0.5689(3) 0.3616(3) 0.108(3) Uani 1 1 d U
H106 H 0.0606 0.5519 0.3874 0.162 Uiso 1 1 calc R
H104 H 0.0253 0.5853 0.3291 0.162 Uiso 1 1 calc R
H105 H -0.0070 0.5378 0.3494 0.162 Uiso 1 1 calc R
C103 C 0.1736(3) 0.6370(3) 0.4211(3) 0.113(3) Uani 1 1 d U
H107 H 0.1601 0.6065 0.3919 0.170 Uiso 1 1 calc R
H108 H 0.2145 0.6299 0.4473 0.170 Uiso 1 1 calc R
H109 H 0.1694 0.6765 0.4042 0.170 Uiso 1 1 calc R
C104 C 0.0704(3) 0.6780(4) 0.5476(4) 0.164(4) Uani 1 1 d U
H112 H 0.0693 0.7214 0.5429 0.246 Uiso 1 1 calc R
H111 H 0.0990 0.6677 0.5857 0.246 Uiso 1 1 calc R
H110 H 0.0319 0.6637 0.5407 0.246 Uiso 1 1 calc R
C105 C 0.2156(3) 0.6608(3) 0.6567(3) 0.135(3) Uani 1 1 d U
H115 H 0.2577 0.6570 0.6803 0.202 Uiso 1 1 calc R
H114 H 0.1954 0.6558 0.6795 0.202 Uiso 1 1 calc R
H113 H 0.2069 0.7004 0.6394 0.202 Uiso 1 1 calc R
C106 C 0.1493(5) 0.5000(4) 0.4993(4) 0.219(6) Uani 1 1 d U
H10A H 0.1734 0.4643 0.5139 0.329 Uiso 1 1 calc R
H10B H 0.1564 0.5176 0.4698 0.329 Uiso 1 1 calc R
H10C H 0.1081 0.4892 0.4841 0.329 Uiso 1 1 calc R
C107 C 0.2684(2) 0.4038(3) 0.6295(3) 0.112(3) Uani 1 1 d U
H119 H 0.2760 0.4152 0.5984 0.169 Uiso 1 1 calc R
H120 H 0.2593 0.3612 0.6269 0.169 Uiso 1 1 calc R
H121 H 0.3030 0.4120 0.6648 0.169 Uiso 1 1 calc R
C108 C 0.1145(4) 0.5405(4) 0.6563(4) 0.197(4) Uani 1 1 d U
H124 H 0.1174 0.5267 0.6919 0.296 Uiso 1 1 calc R
H123 H 0.0736 0.5406 0.6281 0.296 Uiso 1 1 calc R
H122 H 0.1302 0.5810 0.6608 0.296 Uiso 1 1 calc R
C109 C 0.1344(3) 0.4030(3) 0.7594(2) 0.118(3) Uani 1 1 d U
H127 H 0.1760 0.3942 0.7810 0.178 Uiso 1 1 calc R
H126 H 0.1118 0.3736 0.7681 0.178 Uiso 1 1 calc R
H125 H 0.1264 0.4430 0.7688 0.178 Uiso 1 1 calc R
C110 C 0.1143(3) 0.3468(4) 0.5699(4) 0.159(4) Uani 1 1 d U
H130 H 0.0954 0.3078 0.5649 0.239 Uiso 1 1 calc R
H128 H 0.1563 0.3412 0.5841 0.239 Uiso 1 1 calc R
H129 H 0.0984 0.3675 0.5340 0.239 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
O19 Zn1 O17 98.01(13) . .
O19 Zn1 O18 77.48(14) . .
O17 Zn1 O18 98.56(13) . .
O19 Zn1 O16 97.80(15) . .
O17 Zn1 O16 78.93(13) . .
O18 Zn1 O16 174.38(15) . .
O19 Zn1 O1 170.30(13) . .
O17 Zn1 O1 88.72(14) . .
O18 Zn1 O1 94.67(15) . .
O16 Zn1 O1 90.32(16) . .
O19 Zn1 O4 88.22(15) . .
O17 Zn1 O4 170.02(12) . .
O18 Zn1 O4 90.37(13) . .
O16 Zn1 O4 92.55(14) . .
O1 Zn1 O4 86.11(17) . .
O19 Zn1 Zn5 110.65(9) . 3_566
O17 Zn1 Zn5 40.60(8) . 3_566
O18 Zn1 Zn5 138.14(9) . 3_566
O16 Zn1 Zn5 40.59(9) . 3_566
O1 Zn1 Zn5 78.99(9) . 3_566
O4 Zn1 Zn5 129.74(9) . 3_566
O19 Zn1 Zn2 39.48(9) . .
O17 Zn1 Zn2 110.90(8) . .
O18 Zn1 Zn2 40.26(10) . .
O16 Zn1 Zn2 135.90(12) . .
O1 Zn1 Zn2 131.32(10) . .
O4 Zn1 Zn2 78.83(9) . .
Zn5 Zn1 Zn2 143.49(3) 3_566 .
O20 Zn2 O21 76.51(13) . .
O20 Zn2 O19 99.98(14) . .
O21 Zn2 O19 96.86(13) . .
O20 Zn2 O18 175.00(13) . .
O21 Zn2 O18 100.00(13) . .
O19 Zn2 O18 76.74(13) . .
O20 Zn2 O5 93.41(14) . .
O21 Zn2 O5 169.22(13) . .
O19 Zn2 O5 88.54(13) . .
O18 Zn2 O5 90.29(14) . .
O20 Zn2 O7 90.57(14) . .
O21 Zn2 O7 89.61(13) . .
O19 Zn2 O7 168.65(14) . .
O18 Zn2 O7 92.99(14) . .
O5 Zn2 O7 86.66(14) . .
O20 Zn2 Zn3 40.04(9) . .
O21 Zn2 Zn3 39.14(8) . .
O19 Zn2 Zn3 111.79(10) . .
O18 Zn2 Zn3 137.54(10) . .
O5 Zn2 Zn3 130.10(10) . .
O7 Zn2 Zn3 79.03(10) . .
O20 Zn2 Zn1 137.60(10) . .
O21 Zn2 Zn1 110.86(8) . .
O19 Zn2 Zn1 38.87(10) . .
O18 Zn2 Zn1 40.11(9) . .
O5 Zn2 Zn1 79.12(9) . .
O7 Zn2 Zn1 129.91(10) . .
Zn3 Zn2 Zn1 143.69(3) . .
O21 Zn3 O23 97.53(13) . .
O21 Zn3 O20 76.45(12) . .
O23 Zn3 O20 99.50(14) . .
O21 Zn3 O22 101.83(12) . .
O23 Zn3 O22 76.94(13) . .
O20 Zn3 O22 175.89(13) . .
O21 Zn3 O10 168.53(13) . .
O23 Zn3 O10 88.86(14) . .
O20 Zn3 O10 93.16(13) . .
O22 Zn3 O10 88.85(13) . .
O21 Zn3 O8 87.44(13) . .
O23 Zn3 O8 168.53(12) . .
O20 Zn3 O8 91.70(14) . .
O22 Zn3 O8 91.95(14) . .
O10 Zn3 O8 88.05(14) . .
O21 Zn3 Zn2 39.55(8) . .
O23 Zn3 Zn2 111.93(8) . .
O20 Zn3 Zn2 39.57(9) . .
O22 Zn3 Zn2 139.78(10) . .
O10 Zn3 Zn2 129.07(10) . .
O8 Zn3 Zn2 78.40(9) . .
O21 Zn3 Zn4 112.64(9) . .
O23 Zn3 Zn4 39.13(8) . .
O20 Zn3 Zn4 136.98(12) . .
O22 Zn3 Zn4 40.10(11) . .
O10 Zn3 Zn4 78.24(10) . .
O8 Zn3 Zn4 129.40(9) . .
Zn2 Zn3 Zn4 145.20(3) . .
O25 Zn4 O23 96.57(12) . .
O25 Zn4 O24 76.31(14) . .
O23 Zn4 O24 100.67(14) . .
O25 Zn4 O22 99.67(14) . .
O23 Zn4 O22 77.70(14) . .
O24 Zn4 O22 175.53(11) . .
O25 Zn4 O11 169.49(16) . .
O23 Zn4 O11 88.93(12) . .
O24 Zn4 O11 93.91(14) . .
O22 Zn4 O11 90.23(14) . .
O25 Zn4 O13 90.05(13) . .
O23 Zn4 O13 168.79(15) . .
O24 Zn4 O13 89.67(16) . .
O22 Zn4 O13 92.30(16) . .
O11 Zn4 O13 86.02(13) . .
O25 Zn4 Zn5 39.08(11) . .
O23 Zn4 Zn5 111.75(9) . .
O24 Zn4 Zn5 39.78(9) . .
O22 Zn4 Zn5 136.86(9) . .
O11 Zn4 Zn5 130.44(12) . .
O13 Zn4 Zn5 79.01(10) . .
O25 Zn4 Zn3 110.87(10) . .
O23 Zn4 Zn3 39.81(10) . .
O24 Zn4 Zn3 139.22(10) . .
O22 Zn4 Zn3 40.21(9) . .
O11 Zn4 Zn3 79.01(10) . .
O13 Zn4 Zn3 129.14(12) . .
Zn5 Zn4 Zn3 144.19(3) . .
O25 Zn5 O24 76.57(14) . .
O25 Zn5 O16 99.24(15) . 3_566
O24 Zn5 O16 173.88(14) . 3_566
O25 Zn5 O17 97.76(13) . 3_566
O24 Zn5 O17 97.55(12) . 3_566
O16 Zn5 O17 78.45(12) 3_566 3_566
O25 Zn5 O2 170.62(12) . 3_566
O24 Zn5 O2 95.82(15) . 3_566
O16 Zn5 O2 88.75(16) 3_566 3_566
O17 Zn5 O2 88.59(14) 3_566 3_566
O25 Zn5 O14 89.51(15) . .
O24 Zn5 O14 90.25(13) . .
O16 Zn5 O14 94.21(13) 3_566 .
O17 Zn5 O14 170.37(13) 3_566 .
O2 Zn5 O14 84.99(16) 3_566 .
O25 Zn5 Zn4 39.04(8) . .
O24 Zn5 Zn4 40.10(11) . .
O16 Zn5 Zn4 136.96(13) 3_566 .
O17 Zn5 Zn4 110.63(9) 3_566 .
O2 Zn5 Zn4 132.01(10) 3_566 .
O14 Zn5 Zn4 78.98(10) . .
O25 Zn5 Zn1 111.30(8) . 3_566
O24 Zn5 Zn1 136.49(10) . 3_566
O16 Zn5 Zn1 40.68(10) 3_566 3_566
O17 Zn5 Zn1 40.01(8) 3_566 3_566
O2 Zn5 Zn1 77.98(9) 3_566 3_566
O14 Zn5 Zn1 131.11(9) . 3_566
Zn4 Zn5 Zn1 143.35(3) . 3_566
C1 O1 Zn1 125.1(4) . .
C1 O2 Zn5 127.7(4) . 3_566
C21 O4 Zn1 126.5(3) . .
C21 O5 Zn2 127.2(3) . .
C41 O7 Zn2 127.4(4) . .
C41 O8 Zn3 129.4(3) . .
C61 O10 Zn3 130.0(3) . .
C61 O11 Zn4 128.0(3) . .
C81 O13 Zn4 128.4(3) . .
C81 O14 Zn5 127.5(3) . .
C101 O16 Zn5 124.2(3) . 3_566
C101 O16 Zn1 127.2(3) . .
Zn5 O16 Zn1 98.73(16) 3_566 .
C101 O16 H16D 100.4 . .
Zn5 O16 H16D 100.4 3_566 .
Zn1 O16 H16D 100.4 . .
C102 O17 Zn1 121.8(3) . .
C102 O17 Zn5 126.0(3) . 3_566
Zn1 O17 Zn5 99.39(13) . 3_566
C103 O18 Zn1 126.9(3) . .
C103 O18 Zn2 125.9(3) . .
Zn1 O18 Zn2 99.63(17) . .
C103 O18 H18D 99.0 . .
Zn1 O18 H18D 99.0 . .
Zn2 O18 H18D 99.0 . .
C104 O19 Zn1 125.0(4) . .
C104 O19 Zn2 118.2(3) . .
Zn1 O19 Zn2 101.65(16) . .
C105 O20 Zn2 127.6(3) . .
C105 O20 Zn3 129.4(3) . .
Zn2 O20 Zn3 100.39(14) . .
C105 O20 H20D 95.3 . .
Zn2 O20 H20D 95.3 . .
Zn3 O20 H20D 95.3 . .
C106 O21 Zn3 128.4(4) . .
C106 O21 Zn2 125.1(5) . .
Zn3 O21 Zn2 101.31(12) . .
C107 O22 Zn4 127.0(4) . .
C107 O22 Zn3 126.3(3) . .
Zn4 O22 Zn3 99.68(15) . .
C107 O22 H22D 98.7 . .
Zn4 O22 H22D 98.7 . .
Zn3 O22 H22D 98.7 . .
C108 O23 Zn4 126.1(5) . .
C108 O23 Zn3 125.0(4) . .
Zn4 O23 Zn3 101.05(14) . .
C109 O24 Zn5 126.1(4) . .
C109 O24 Zn4 124.8(3) . .
Zn5 O24 Zn4 100.12(16) . .
C109 O24 H24 99.9 . .
Zn5 O24 H24 99.9 . .
Zn4 O24 H24 99.9 . .
C110 O25 Zn4 118.5(4) . .
C110 O25 Zn5 118.2(5) . .
Zn4 O25 Zn5 101.89(15) . .
H26C O26 H26D 107.8 . .
H27C O27 H27D 108.7 . .
H28C O28 H28D 107.0 . .
H29C O29 H29D 108.5 . .
C14 N1 C2 125.0(6) . .
C14 N1 H1N 117.5 . .
C2 N1 H1N 117.5 . .
C22 N2 C34 118.1(7) . .
C22 N2 H2N 121.0 . .
C34 N2 H2N 121.0 . .
C54 N3 C42 125.7(4) . .
C54 N3 H3N 117.2 . .
C42 N3 H3N 117.2 . .
C74 N4 C62 124.6(4) . .
C74 N4 H4N 117.7 . .
C62 N4 H4N 117.7 . .
C94 N5 C82 128.6(6) . .
C94 N5 H5N 115.7 . .
C82 N5 H5N 115.7 . .
O1 C1 O2 129.2(6) . .
O1 C1 C2 116.6(5) . .
O2 C1 C2 114.1(4) . .
C3 C2 N1 123.7(7) . .
C3 C2 C1 120.6(7) . .
N1 C2 C1 115.7(5) . .
C2 C3 C4 130.8(7) . .
C2 C3 H3 114.6 . .
C4 C3 H3 114.6 . .
C5 C4 C8 108.0 . .
C5 C4 C3 123.2(4) . .
C8 C4 C3 128.8(4) . .
C5 C4 Fe1 68.0(2) . .
C8 C4 Fe1 71.3(2) . .
C3 C4 Fe1 124.5(4) . .
C4 C5 C6 108.0 . .
C4 C5 Fe1 70.11(19) . .
C6 C5 Fe1 70.3(2) . .
C4 C5 H5 126.0 . .
C6 C5 H5 126.0 . .
Fe1 C5 H5 126.0 . .
C5 C6 C7 108.0 . .
C5 C6 Fe1 67.8(2) . .
C7 C6 Fe1 71.3(2) . .
C5 C6 H6 126.0 . .
C7 C6 H6 126.0 . .
Fe1 C6 H6 126.0 . .
C8 C7 C6 108.0 . .
C8 C7 Fe1 69.63(17) . .
C6 C7 Fe1 67.7(2) . .
C8 C7 H7 126.0 . .
C6 C7 H7 126.0 . .
Fe1 C7 H7 126.0 . .
C7 C8 C4 108.0 . .
C7 C8 Fe1 69.84(19) . .
C4 C8 Fe1 67.6(2) . .
C7 C8 H8 126.0 . .
C4 C8 H8 126.0 . .
Fe1 C8 H8 126.0 . .
C5 Fe1 C4 41.92(13) . .
C5 Fe1 C6 41.87(14) . .
C4 Fe1 C6 70.1(2) . .
C5 Fe1 C8 69.71(19) . .
C4 Fe1 C8 41.06(11) . .
C6 Fe1 C8 69.1(2) . .
C5 Fe1 C7 69.7(2) . .
C4 Fe1 C7 69.12(19) . .
C6 Fe1 C7 40.99(13) . .
C8 Fe1 C7 40.54(13) . .
C5 Fe1 C12 121.9(5) . .
C4 Fe1 C12 160.2(5) . .
C6 Fe1 C12 105.1(4) . .
C8 Fe1 C12 156.7(5) . .
C7 Fe1 C12 120.5(4) . .
C5 Fe1 C11 163.3(5) . .
C4 Fe1 C11 154.7(5) . .
C6 Fe1 C11 127.4(4) . .
C8 Fe1 C11 122.1(5) . .
C7 Fe1 C11 110.6(5) . .
C12 Fe1 C11 42.6(2) . .
C5 Fe1 C13 100.2(4) . .
C4 Fe1 C13 120.5(4) . .
C6 Fe1 C13 115.1(4) . .
C8 Fe1 C13 160.4(4) . .
C7 Fe1 C13 153.1(4) . .
C12 Fe1 C13 42.9(2) . .
C11 Fe1 C13 71.9(3) . .
C5 Fe1 C10 150.5(4) . .
C4 Fe1 C10 117.3(4) . .
C6 Fe1 C10 167.1(5) . .
C8 Fe1 C10 108.8(4) . .
C7 Fe1 C10 129.4(4) . .
C12 Fe1 C10 71.5(3) . .
C11 Fe1 C10 42.0(2) . .
C13 Fe1 C10 71.4(3) . .
C5 Fe1 C9 113.2(4) . .
C4 Fe1 C9 102.4(3) . .
C6 Fe1 C9 150.0(4) . .
C8 Fe1 C9 124.8(3) . .
C7 Fe1 C9 164.5(3) . .
C12 Fe1 C9 71.8(4) . .
C11 Fe1 C9 71.2(3) . .
C13 Fe1 C9 42.4(3) . .
C10 Fe1 C9 41.9(2) . .
C13 C9 C10 108.0 . .
C13 C9 Fe1 67.6(4) . .
C10 C9 Fe1 69.5(5) . .
C13 C9 H9 126.0 . .
C10 C9 H9 126.0 . .
Fe1 C9 H9 126.0 . .
C11 C10 C9 108.0 . .
C11 C10 Fe1 68.1(4) . .
C9 C10 Fe1 68.6(4) . .
C11 C10 H10 125.9 . .
C9 C10 H10 125.9 . .
Fe1 C10 H10 125.9 . .
C12 C11 C10 108.0 . .
C12 C11 Fe1 67.6(4) . .
C10 C11 Fe1 69.9(4) . .
C12 C11 H11 126.0 . .
C10 C11 H11 126.0 . .
Fe1 C11 H11 126.0 . .
C11 C12 C13 108.0 . .
C11 C12 Fe1 69.7(5) . .
C13 C12 Fe1 68.8(4) . .
C11 C12 H12 126.0 . .
C13 C12 H12 126.0 . .
Fe1 C12 H12 126.0 . .
C9 C13 C12 108.0 . .
C9 C13 Fe1 70.0(4) . .
C12 C13 Fe1 68.3(4) . .
C9 C13 H13 126.0 . .
C12 C13 H13 126.0 . .
Fe1 C13 H13 126.0 . .
O3 C14 N1 118.6(5) . .
O3 C14 C15 126.9(6) . .
N1 C14 C15 114.1(5) . .
C16 C15 C20 120.0 . .
C16 C15 C14 124.3(4) . .
C20 C15 C14 115.3(4) . .
C15 C16 C17 120.0 . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C16 C17 C18 120.0 . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C19 C18 C17 120.0 . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 120.0 . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C19 C20 C15 120.0 . .
C19 C20 H20 120.0 . .
C15 C20 H20 120.0 . .
O4 C21 O5 128.3(4) . .
O4 C21 C22 115.6(4) . .
O5 C21 C22 116.1(4) . .
C23 C22 N2 125.9(5) . .
C23 C22 C21 119.0(5) . .
N2 C22 C21 114.9(4) . .
C22 C23 C24 129.1(5) . .
C22 C23 H23 115.4 . .
C24 C23 H23 115.4 . .
C28 C24 C25 108.0 . .
C28 C24 C23 123.9(3) . .
C25 C24 C23 126.9(3) . .
C28 C24 Fe2 68.10(19) . .
C25 C24 Fe2 69.67(17) . .
C23 C24 Fe2 118.4(4) . .
C26 C25 C24 108.0 . .
C26 C25 Fe2 68.15(16) . .
C24 C25 Fe2 69.54(16) . .
C26 C25 H25 126.0 . .
C24 C25 H25 126.0 . .
Fe2 C25 H25 126.0 . .
C25 C26 C27 108.0 . .
C25 C26 Fe2 70.74(16) . .
C27 C26 Fe2 68.25(19) . .
C25 C26 H26 126.0 . .
C27 C26 H26 126.0 . .
Fe2 C26 H26 126.0 . .
C28 C27 C26 108.0 . .
C28 C27 Fe2 69.89(16) . .
C26 C27 Fe2 70.01(18) . .
C28 C27 H27 126.0 . .
C26 C27 H27 126.0 . .
Fe2 C27 H27 126.0 . .
C24 C28 C27 108.0 . .
C24 C28 Fe2 70.75(17) . .
C27 C28 Fe2 68.34(16) . .
C24 C28 H28 126.0 . .
C27 C28 H28 126.0 . .
Fe2 C28 H28 126.0 . .
C27 Fe2 C28 41.76(13) . .
C27 Fe2 C26 41.74(12) . .
C28 Fe2 C26 69.99(19) . .
C27 Fe2 C30 158.1(3) . .
C28 Fe2 C30 124.1(2) . .
C26 Fe2 C30 160.1(3) . .
C27 Fe2 C29 159.1(3) . .
C28 Fe2 C29 157.2(2) . .
C26 Fe2 C29 121.4(2) . .
C30 Fe2 C29 40.21(16) . .
C27 Fe2 C31 122.1(3) . .
C28 Fe2 C31 112.3(3) . .
C26 Fe2 C31 153.9(3) . .
C30 Fe2 C31 40.05(15) . .
C29 Fe2 C31 67.1(2) . .
C27 Fe2 C24 69.73(19) . .
C28 Fe2 C24 41.15(11) . .
C26 Fe2 C24 69.28(17) . .
C30 Fe2 C24 110.9(2) . .
C29 Fe2 C24 120.51(18) . .
C31 Fe2 C24 130.6(3) . .
C27 Fe2 C25 69.70(18) . .
C28 Fe2 C25 69.30(18) . .
C26 Fe2 C25 41.11(11) . .
C30 Fe2 C25 125.9(2) . .
C29 Fe2 C25 105.3(2) . .
C31 Fe2 C25 165.0(3) . .
C24 Fe2 C25 40.78(11) . .
C27 Fe2 C33 122.9(3) . .
C28 Fe2 C33 162.8(2) . .
C26 Fe2 C33 103.3(3) . .
C30 Fe2 C33 67.0(2) . .
C29 Fe2 C33 39.78(16) . .
C31 Fe2 C33 66.6(2) . .
C24 Fe2 C33 152.8(2) . .
C25 Fe2 C33 116.7(2) . .
C27 Fe2 C32 107.4(3) . .
C28 Fe2 C32 128.6(3) . .
C26 Fe2 C32 117.5(3) . .
C30 Fe2 C32 66.8(2) . .
C29 Fe2 C32 66.6(2) . .
C31 Fe2 C32 39.55(14) . .
C24 Fe2 C32 167.1(3) . .
C25 Fe2 C32 151.2(3) . .
C33 Fe2 C32 39.40(15) . .
C33 C29 C30 108.0 . .
C33 C29 Fe2 71.3(2) . .
C30 C29 Fe2 69.5(2) . .
C33 C29 H29 126.0 . .
C30 C29 H29 126.0 . .
Fe2 C29 H29 126.0 . .
C29 C30 C31 108.0 . .
C29 C30 Fe2 70.3(2) . .
C31 C30 Fe2 70.9(2) . .
C29 C30 H30 126.0 . .
C31 C30 H30 126.0 . .
Fe2 C30 H30 126.0 . .
C32 C31 C30 108.0 . .
C32 C31 Fe2 71.2(3) . .
C30 C31 Fe2 69.0(2) . .
C32 C31 H31 126.0 . .
C30 C31 H31 126.0 . .
Fe2 C31 H31 126.0 . .
C31 C32 C33 108.0 . .
C31 C32 Fe2 69.3(2) . .
C33 C32 Fe2 70.0(2) . .
C31 C32 H32 126.0 . .
C33 C32 H32 126.0 . .
Fe2 C32 H32 126.0 . .
C29 C33 C32 108.0 . .
C29 C33 Fe2 68.9(2) . .
C32 C33 Fe2 70.6(2) . .
C29 C33 H33 126.0 . .
C32 C33 H33 126.0 . .
Fe2 C33 H33 126.0 . .
O6 C34 C35 125.6(6) . .
O6 C34 N2 106.6(7) . .
C35 C34 N2 107.2(7) . .
C36 C35 C40 120.0 . .
C36 C35 C34 130.7(6) . .
C40 C35 C34 109.1(6) . .
C37 C36 C35 120.0 . .
C37 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C36 C37 C38 120.0 . .
C36 C37 H37 120.0 . .
C38 C37 H37 120.0 . .
C39 C38 C37 120.0 . .
C39 C38 H38 120.0 . .
C37 C38 H38 120.0 . .
C40 C39 C38 120.0 . .
C40 C39 H39 120.0 . .
C38 C39 H39 120.0 . .
C39 C40 C35 120.0 . .
C39 C40 H40 120.0 . .
C35 C40 H40 120.0 . .
O8 C41 O7 125.6(5) . .
O8 C41 C42 118.2(4) . .
O7 C41 C42 116.2(5) . .
C43 C42 N3 124.3(5) . .
C43 C42 C41 121.1(4) . .
N3 C42 C41 114.6(5) . .
C42 C43 C44 129.0(5) . .
C42 C43 H43 115.5 . .
C44 C43 H43 115.5 . .
C43 C44 C48 121.7(3) . .
C43 C44 C45 130.1(3) . .
C48 C44 C45 108.0 . .
C43 C44 Fe3 123.3(3) . .
C48 C44 Fe3 70.3(2) . .
C45 C44 Fe3 68.0(2) . .
C46 C45 C44 108.0 . .
C46 C45 Fe3 69.15(18) . .
C44 C45 Fe3 70.3(2) . .
C46 C45 H45 126.0 . .
C44 C45 H45 126.0 . .
Fe3 C45 H45 126.0 . .
C45 C46 C47 108.0 . .
C45 C46 Fe3 68.9(2) . .
C47 C46 Fe3 70.4(2) . .
C45 C46 H46 126.0 . .
C47 C46 H46 126.0 . .
Fe3 C46 H46 126.0 . .
C48 C47 C46 108.0 . .
C48 C47 Fe3 70.09(18) . .
C46 C47 Fe3 68.0(2) . .
C48 C47 H47 126.0 . .
C46 C47 H47 126.0 . .
Fe3 C47 H47 126.0 . .
C47 C48 C44 108.0 . .
C47 C48 Fe3 68.86(18) . .
C44 C48 Fe3 68.6(2) . .
C47 C48 H48 126.0 . .
C44 C48 H48 126.0 . .
Fe3 C48 H48 126.0 . .
C52 Fe3 C51 38.79(17) . .
C52 Fe3 C45 161.5(4) . .
C51 Fe3 C45 157.1(4) . .
C52 Fe3 C44 156.0(4) . .
C51 Fe3 C44 122.2(3) . .
C45 Fe3 C44 41.67(12) . .
C52 Fe3 C46 124.3(4) . .
C51 Fe3 C46 160.5(4) . .
C45 Fe3 C46 41.97(12) . .
C44 Fe3 C46 70.21(18) . .
C52 Fe3 C53 38.17(19) . .
C51 Fe3 C53 63.8(3) . .
C45 Fe3 C53 126.6(3) . .
C44 Fe3 C53 163.0(3) . .
C46 Fe3 C53 109.2(3) . .
C52 Fe3 C48 121.1(4) . .
C51 Fe3 C48 108.7(3) . .
C45 Fe3 C48 69.84(17) . .
C44 Fe3 C48 41.12(12) . .
C46 Fe3 C48 69.77(19) . .
C53 Fe3 C48 155.7(3) . .
C52 Fe3 C47 107.5(4) . .
C51 Fe3 C47 124.6(4) . .
C45 Fe3 C47 70.17(18) . .
C44 Fe3 C47 69.58(18) . .
C46 Fe3 C47 41.57(12) . .
C53 Fe3 C47 121.9(3) . .
C48 Fe3 C47 41.06(13) . .
C52 Fe3 C50 63.7(3) . .
C51 Fe3 C50 37.94(18) . .
C45 Fe3 C50 123.8(3) . .
C44 Fe3 C50 111.1(3) . .
C46 Fe3 C50 157.4(3) . .
C53 Fe3 C50 62.6(3) . .
C48 Fe3 C50 127.0(3) . .
C47 Fe3 C50 161.0(3) . .
C52 Fe3 C49 63.1(3) . .
C51 Fe3 C49 62.9(3) . .
C45 Fe3 C49 111.5(2) . .
C44 Fe3 C49 128.3(2) . .
C46 Fe3 C49 123.6(3) . .
C53 Fe3 C49 37.10(17) . .
C48 Fe3 C49 162.6(3) . .
C47 Fe3 C49 156.4(3) . .
C50 Fe3 C49 36.98(17) . .
C50 C49 C53 108.0 . .
C50 C49 Fe3 70.1(3) . .
C53 C49 Fe3 69.5(4) . .
C50 C49 H49 126.0 . .
C53 C49 H49 126.0 . .
Fe3 C49 H49 126.0 . .
C51 C50 C49 108.0 . .
C51 C50 Fe3 68.1(3) . .
C49 C50 Fe3 72.9(3) . .
C51 C50 H50 126.0 . .
C49 C50 H50 126.0 . .
Fe3 C50 H50 124.5 . .
C50 C51 C52 108.0 . .
C50 C51 Fe3 73.9(3) . .
C52 C51 Fe3 70.3(4) . .
C50 C51 H51 126.0 . .
C52 C51 H51 126.0 . .
Fe3 C51 H51 121.5 . .
C53 C52 C51 108.0 . .
C53 C52 Fe3 73.6(3) . .
C51 C52 Fe3 71.0(4) . .
C53 C52 H52 126.0 . .
C51 C52 H52 126.0 . .
Fe3 C52 H52 121.2 . .
C49 C53 C52 108.0 . .
C49 C53 Fe3 73.4(3) . .
C52 C53 Fe3 68.2(3) . .
C49 C53 H53 126.0 . .
C52 C53 H53 126.0 . .
Fe3 C53 H53 124.0 . .
O9 C54 N3 119.5(4) . .
O9 C54 C55 123.7(5) . .
N3 C54 C55 116.4(4) . .
C56 C55 C60 120.0 . .
C56 C55 C54 118.3(4) . .
C60 C55 C54 121.6(4) . .
C55 C56 C57 120.0 . .
C55 C56 H56 120.0 . .
C57 C56 H56 120.0 . .
C56 C57 C58 120.0 . .
C56 C57 H57 120.0 . .
C58 C57 H57 120.0 . .
C59 C58 C57 120.0 . .
C59 C58 H58 120.0 . .
C57 C58 H58 120.0 . .
C58 C59 C60 120.0 . .
C58 C59 H59 120.0 . .
C60 C59 H59 120.0 . .
C59 C60 C55 120.0 . .
C59 C60 H60 120.0 . .
C55 C60 H60 120.0 . .
O10 C61 O11 124.3(4) . .
O10 C61 C62 117.5(5) . .
O11 C61 C62 118.0(5) . .
C63 C62 N4 120.9(4) . .
C63 C62 C61 122.1(6) . .
N4 C62 C61 116.6(5) . .
C62 C63 C64 131.8(5) . .
C62 C63 H63 114.1 . .
C64 C63 H63 114.1 . .
C68 C64 C65 108.0 . .
C68 C64 C63 123.3(3) . .
C65 C64 C63 128.7(3) . .
C68 C64 Fe4 70.24(16) . .
C65 C64 Fe4 70.21(15) . .
C63 C64 Fe4 123.8(3) . .
C66 C65 C64 108.0 . .
C66 C65 Fe4 70.67(13) . .
C64 C65 Fe4 69.32(14) . .
C66 C65 H65 126.0 . .
C64 C65 H65 126.0 . .
Fe4 C65 H65 126.0 . .
C65 C66 C67 108.0 . .
C65 C66 Fe4 69.19(13) . .
C67 C66 Fe4 70.03(16) . .
C65 C66 H66 126.0 . .
C67 C66 H66 126.0 . .
Fe4 C66 H66 126.0 . .
C68 C67 C66 108.0 . .
C68 C67 Fe4 69.21(13) . .
C66 C67 Fe4 70.02(15) . .
C68 C67 H67 126.0 . .
C66 C67 H67 126.0 . .
Fe4 C67 H67 126.0 . .
C67 C68 C64 108.0 . .
C67 C68 Fe4 70.66(13) . .
C64 C68 Fe4 69.30(14) . .
C67 C68 H68 126.0 . .
C64 C68 H68 126.0 . .
Fe4 C68 H68 126.0 . .
C64 Fe4 C65 40.47(9) . .
C64 Fe4 C68 40.46(9) . .
C65 Fe4 C68 67.82(14) . .
C64 Fe4 C72 165.8(3) . .
C65 Fe4 C72 153.6(3) . .
C68 Fe4 C72 130.2(3) . .
C64 Fe4 C66 67.69(14) . .
C65 Fe4 C66 40.14(9) . .
C68 Fe4 C66 67.47(14) . .
C72 Fe4 C66 122.0(3) . .
C64 Fe4 C67 67.67(14) . .
C65 Fe4 C67 67.46(14) . .
C68 Fe4 C67 40.13(10) . .
C72 Fe4 C67 112.1(2) . .
C66 Fe4 C67 39.95(9) . .
C64 Fe4 C73 152.1(2) . .
C65 Fe4 C73 119.5(2) . .
C68 Fe4 C73 166.7(2) . .
C72 Fe4 C73 38.91(11) . .
C66 Fe4 C73 110.2(2) . .
C67 Fe4 C73 129.8(2) . .
C64 Fe4 C71 128.4(3) . .
C65 Fe4 C71 163.8(3) . .
C68 Fe4 C71 111.5(3) . .
C72 Fe4 C71 38.85(11) . .
C66 Fe4 C71 155.8(3) . .
C67 Fe4 C71 123.2(3) . .
C73 Fe4 C71 64.87(17) . .
C64 Fe4 C69 119.26(16) . .
C65 Fe4 C69 108.45(19) . .
C68 Fe4 C69 153.27(17) . .
C72 Fe4 C69 64.71(18) . .
C66 Fe4 C69 127.8(2) . .
C67 Fe4 C69 165.1(2) . .
C73 Fe4 C69 38.48(12) . .
C71 Fe4 C69 64.38(18) . .
C64 Fe4 C70 109.20(18) . .
C65 Fe4 C70 127.0(2) . .
C68 Fe4 C70 121.5(2) . .
C72 Fe4 C70 64.65(17) . .
C66 Fe4 C70 163.5(3) . .
C67 Fe4 C70 155.5(3) . .
C73 Fe4 C70 64.40(18) . .
C71 Fe4 C70 38.42(12) . .
C69 Fe4 C70 38.19(12) . .
C70 C69 C73 108.0 . .
C70 C69 Fe4 71.0(2) . .
C73 C69 Fe4 69.7(2) . .
C70 C69 H69 126.0 . .
C73 C69 H69 126.0 . .
Fe4 C69 H69 126.0 . .
C69 C70 C71 108.0 . .
C69 C70 Fe4 70.8(2) . .
C71 C70 Fe4 69.77(19) . .
C69 C70 H70 126.0 . .
C71 C70 H70 126.0 . .
Fe4 C70 H70 126.0 . .
C72 C71 C70 108.0 . .
C72 C71 Fe4 69.8(2) . .
C70 C71 Fe4 71.8(2) . .
C72 C71 H71 126.0 . .
C70 C71 H71 126.0 . .
Fe4 C71 H71 126.0 . .
C71 C72 C73 108.0 . .
C71 C72 Fe4 71.3(2) . .
C73 C72 Fe4 71.1(2) . .
C71 C72 H72 126.0 . .
C73 C72 H72 126.0 . .
Fe4 C72 H72 126.0 . .
C69 C73 C72 108.0 . .
C69 C73 Fe4 71.8(2) . .
C72 C73 Fe4 70.0(2) . .
C69 C73 H73 126.0 . .
C72 C73 H73 126.0 . .
Fe4 C73 H73 126.0 . .
O12 C74 N4 116.6(5) . .
O12 C74 C75 121.8(5) . .
N4 C74 C75 121.5(4) . .
C80 C75 C76 120.0 . .
C80 C75 C74 121.6(3) . .
C76 C75 C74 118.4(3) . .
C77 C76 C75 120.0 . .
C77 C76 H76 120.0 . .
C75 C76 H76 120.0 . .
C76 C77 C78 120.0 . .
C76 C77 H77 120.0 . .
C78 C77 H77 120.0 . .
C77 C78 C79 120.0 . .
C77 C78 H78 120.0 . .
C79 C78 H78 120.0 . .
C80 C79 C78 120.0 . .
C80 C79 H79 120.0 . .
C78 C79 H79 120.0 . .
C79 C80 C75 120.0 . .
C79 C80 H80 120.0 . .
C75 C80 H80 120.0 . .
O14 C81 O13 125.8(5) . .
O14 C81 C82 118.6(5) . .
O13 C81 C82 115.6(5) . .
C83 C82 C81 121.7(6) . .
C83 C82 N5 122.5(6) . .
C81 C82 N5 115.8(5) . .
C82 C83 C84 130.0(6) . .
C82 C83 H83 115.0 . .
C84 C83 H83 115.0 . .
C85 C84 C88 108.0 . .
C85 C84 C83 122.2(4) . .
C88 C84 C83 128.9(4) . .
C85 C84 Fe5 69.9(2) . .
C88 C84 Fe5 66.5(3) . .
C83 C84 Fe5 120.8(5) . .
C84 C85 C86 108.0 . .
C84 C85 Fe5 70.4(2) . .
C86 C85 Fe5 66.3(2) . .
C84 C85 H85 125.9 . .
C86 C85 H85 125.9 . .
Fe5 C85 H85 125.9 . .
C87 C86 C85 108.0 . .
C87 C86 Fe5 67.0(3) . .
C85 C86 Fe5 73.1(2) . .
C87 C86 H86 126.0 . .
C85 C86 H86 126.0 . .
Fe5 C86 H86 126.0 . .
C86 C87 C88 108.0 . .
C86 C87 Fe5 70.8(3) . .
C88 C87 Fe5 71.3(3) . .
C86 C87 H87 126.0 . .
C88 C87 H87 126.0 . .
Fe5 C87 H87 126.0 . .
C87 C88 C84 108.0 . .
C87 C88 Fe5 66.6(2) . .
C84 C88 Fe5 73.1(3) . .
C87 C88 H88 126.0 . .
C84 C88 H88 126.0 . .
Fe5 C88 H88 126.0 . .
C87 Fe5 C88 42.04(18) . .
C87 Fe5 C86 42.17(18) . .
C88 Fe5 C86 70.0(3) . .
C87 Fe5 C91 164.2(4) . .
C88 Fe5 C91 152.3(4) . .
C86 Fe5 C91 125.2(4) . .
C87 Fe5 C90 155.2(4) . .
C88 Fe5 C90 118.5(3) . .
C86 Fe5 C90 160.4(4) . .
C91 Fe5 C90 39.67(18) . .
C87 Fe5 C92 128.0(4) . .
C88 Fe5 C92 165.2(4) . .
C86 Fe5 C92 110.0(4) . .
C91 Fe5 C92 39.93(18) . .
C90 Fe5 C92 66.6(3) . .
C87 Fe5 C84 69.2(3) . .
C88 Fe5 C84 40.42(16) . .
C86 Fe5 C84 68.3(2) . .
C91 Fe5 C84 118.4(3) . .
C90 Fe5 C84 105.9(3) . .
C92 Fe5 C84 154.2(3) . .
C87 Fe5 C85 69.3(3) . .
C88 Fe5 C85 68.2(2) . .
C86 Fe5 C85 40.60(16) . .
C91 Fe5 C85 107.0(3) . .
C90 Fe5 C85 123.2(3) . .
C92 Fe5 C85 122.0(3) . .
C84 Fe5 C85 39.68(15) . .
C87 Fe5 C89 122.5(3) . .
C88 Fe5 C89 108.1(3) . .
C86 Fe5 C89 159.1(3) . .
C91 Fe5 C89 66.3(3) . .
C90 Fe5 C89 39.25(15) . .
C92 Fe5 C89 66.3(3) . .
C84 Fe5 C89 124.5(2) . .
C85 Fe5 C89 159.4(3) . .
C87 Fe5 C93 110.9(3) . .
C88 Fe5 C93 127.5(3) . .
C86 Fe5 C93 124.6(3) . .
C91 Fe5 C93 66.6(3) . .
C90 Fe5 C93 66.1(3) . .
C92 Fe5 C93 39.64(18) . .
C84 Fe5 C93 162.0(3) . .
C85 Fe5 C93 158.2(3) . .
C89 Fe5 C93 39.23(16) . .
C93 C89 C90 108.0 . .
C93 C89 Fe5 69.8(3) . .
C90 C89 Fe5 69.7(3) . .
C93 C89 H89 126.0 . .
C90 C89 H89 126.0 . .
Fe5 C89 H89 126.0 . .
C91 C90 C89 108.0 . .
C91 C90 Fe5 69.1(3) . .
C89 C90 Fe5 71.0(3) . .
C91 C90 H90 126.0 . .
C89 C90 H90 126.0 . .
Fe5 C90 H90 126.0 . .
C90 C91 C92 108.0 . .
C90 C91 Fe5 71.2(2) . .
C92 C91 Fe5 70.1(3) . .
C90 C91 H91 126.0 . .
C92 C91 H91 126.0 . .
Fe5 C91 H91 126.0 . .
C93 C92 C91 108.0 . .
C93 C92 Fe5 71.2(3) . .
C91 C92 Fe5 70.0(3) . .
C93 C92 H92 126.0 . .
C91 C92 H92 126.0 . .
Fe5 C92 H92 126.0 . .
C92 C93 C89 108.0 . .
C92 C93 Fe5 69.1(3) . .
C89 C93 Fe5 71.0(3) . .
C92 C93 H93 126.0 . .
C89 C93 H93 126.0 . .
Fe5 C93 H93 126.0 . .
O15 C94 N5 117.0(6) . .
O15 C94 C95 122.1(6) . .
N5 C94 C95 120.6(5) . .
C96 C95 C100 120.0 . .
C96 C95 C94 118.6(3) . .
C100 C95 C94 121.4(3) . .
C95 C96 C97 120.0 . .
C95 C96 H96 120.0 . .
C97 C96 H96 120.0 . .
C98 C97 C96 120.0 . .
C98 C97 H97 120.0 . .
C96 C97 H97 120.0 . .
C97 C98 C99 120.0 . .
C97 C98 H98 120.0 . .
C99 C98 H98 120.0 . .
C100 C99 C98 120.0 . .
C100 C99 H99 120.0 . .
C98 C99 H99 120.0 . .
C99 C100 C95 120.0 . .
C99 C100 H100 120.0 . .
C95 C100 H100 120.0 . .
O16 C101 H101 109.5 . .
O16 C101 H103 109.5 . .
H101 C101 H103 109.5 . .
O16 C101 H102 109.5 . .
H101 C101 H102 109.5 . .
H103 C101 H102 109.5 . .
O17 C102 H106 109.5 . .
O17 C102 H104 109.5 . .
H106 C102 H104 109.5 . .
O17 C102 H105 109.5 . .
H106 C102 H105 109.5 . .
H104 C102 H105 109.5 . .
O18 C103 H107 109.5 . .
O18 C103 H108 109.5 . .
H107 C103 H108 109.5 . .
O18 C103 H109 109.5 . .
H107 C103 H109 109.5 . .
H108 C103 H109 109.5 . .
O19 C104 H112 109.5 . .
O19 C104 H111 109.5 . .
H112 C104 H111 109.5 . .
O19 C104 H110 109.5 . .
H112 C104 H110 109.5 . .
H111 C104 H110 109.5 . .
O20 C105 H115 109.5 . .
O20 C105 H114 109.5 . .
H115 C105 H114 109.5 . .
O20 C105 H113 109.5 . .
H115 C105 H113 109.5 . .
H114 C105 H113 109.5 . .
O21 C106 H10A 109.5 . .
O21 C106 H10B 109.5 . .
H10A C106 H10B 109.5 . .
O21 C106 H10C 109.5 . .
H10A C106 H10C 109.5 . .
H10B C106 H10C 109.5 . .
O22 C107 H119 109.5 . .
O22 C107 H120 109.5 . .
H119 C107 H120 109.5 . .
O22 C107 H121 109.5 . .
H119 C107 H121 109.5 . .
H120 C107 H121 109.5 . .
O23 C108 H124 109.5 . .
O23 C108 H123 109.5 . .
H124 C108 H123 109.5 . .
O23 C108 H122 109.5 . .
H124 C108 H122 109.5 . .
H123 C108 H122 109.5 . .
O24 C109 H127 109.5 . .
O24 C109 H126 109.5 . .
H127 C109 H126 109.5 . .
O24 C109 H125 109.5 . .
H127 C109 H125 109.5 . .
H126 C109 H125 109.5 . .
O25 C110 H130 109.5 . .
O25 C110 H128 109.5 . .
H130 C110 H128 109.5 . .
O25 C110 H129 109.5 . .
H130 C110 H129 109.5 . .
H128 C110 H129 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O19 1.945(3) .
Zn1 O17 1.975(3) .
Zn1 O18 1.983(3) .
Zn1 O16 1.999(3) .
Zn1 O1 2.045(4) .
Zn1 O4 2.045(3) .
Zn1 Zn5 3.0305(9) 3_566
Zn1 Zn2 3.0352(9) .
Zn2 O20 1.961(3) .
Zn2 O21 1.966(3) .
Zn2 O19 1.970(3) .
Zn2 O18 1.990(3) .
Zn2 O5 2.030(3) .
Zn2 O7 2.053(3) .
Zn2 Zn3 3.0277(10) .
Zn3 O21 1.949(3) .
Zn3 O23 1.977(3) .
Zn3 O20 1.980(3) .
Zn3 O22 1.985(3) .
Zn3 O10 2.013(3) .
Zn3 O8 2.045(4) .
Zn3 Zn4 3.0299(10) .
Zn4 O25 1.947(3) .
Zn4 O23 1.948(3) .
Zn4 O24 1.980(4) .
Zn4 O22 1.980(4) .
Zn4 O11 2.024(3) .
Zn4 O13 2.040(3) .
Zn4 Zn5 3.0256(10) .
Zn5 O25 1.949(4) .
Zn5 O24 1.967(3) .
Zn5 O16 1.995(3) 3_566
Zn5 O17 1.999(3) 3_566
Zn5 O2 2.016(4) 3_566
Zn5 O14 2.070(3) .
Zn5 Zn1 3.0305(9) 3_566
O1 C1 1.220(5) .
O2 C1 1.239(6) .
O2 Zn5 2.016(4) 3_566
O3 C14 1.223(6) .
O4 C21 1.258(5) .
O5 C21 1.249(5) .
O6 C34 1.228(6) .
O7 C41 1.267(5) .
O8 C41 1.239(6) .
O9 C54 1.215(5) .
O10 C61 1.259(7) .
O11 C61 1.268(6) .
O12 C74 1.223(5) .
O13 C81 1.271(7) .
O14 C81 1.246(6) .
O15 C94 1.218(6) .
O16 C101 1.425(6) .
O16 Zn5 1.995(3) 3_566
O16 H16D 0.9800 .
O17 C102 1.338(8) .
O17 Zn5 1.999(3) 3_566
O18 C103 1.367(8) .
O18 H18D 0.9800 .
O19 C104 1.484(10) .
O20 C105 1.394(7) .
O20 H20D 0.9800 .
O21 C106 1.306(10) .
O22 C107 1.415(7) .
O22 H22D 0.9800 .
O23 C108 1.395(11) .
O24 C109 1.439(7) .
O24 H24 0.9800 .
O25 C110 1.266(10) .
O26 H26C 0.8501 .
O26 H26D 0.8501 .
O27 H27C 0.8501 .
O27 H27D 0.8500 .
O28 H28C 0.8500 .
O28 H28D 0.8501 .
O29 H29C 0.8502 .
O29 H29D 0.8501 .
N1 C14 1.345(8) .
N1 C2 1.427(9) .
N1 H1N 0.8600 .
N2 C22 1.422(8) .
N2 C34 1.565(12) .
N2 H2N 0.8600 .
N3 C54 1.319(6) .
N3 C42 1.422(6) .
N3 H3N 0.8600 .
N4 C74 1.330(8) .
N4 C62 1.448(8) .
N4 H4N 0.8600 .
N5 C94 1.281(9) .
N5 C82 1.501(8) .
N5 H5N 0.8600 .
C1 C2 1.510(10) .
C2 C3 1.288(8) .
C3 C4 1.509(9) .
C3 H3 0.9300 .
C4 C5 1.363(3) .
C4 C8 1.363(3) .
C4 Fe1 1.918(4) .
C5 C6 1.363(3) .
C5 Fe1 1.891(6) .
C5 H5 0.9800 .
C6 C7 1.363(3) .
C6 Fe1 1.922(7) .
C6 H6 0.9800 .
C7 C8 1.363(3) .
C7 Fe1 1.968(7) .
C7 H7 0.9800 .
C8 Fe1 1.965(5) .
C8 H8 0.9800 .
Fe1 C12 2.051(12) .
Fe1 C11 2.080(14) .
Fe1 C13 2.059(12) .
Fe1 C10 2.106(11) .
Fe1 C9 2.093(8) .
C9 C13 1.502(7) .
C9 C10 1.502(7) .
C9 H9 0.9800 .
C10 C11 1.502(7) .
C10 H10 0.9800 .
C11 C12 1.502(7) .
C11 H11 0.9800 .
C12 C13 1.502(7) .
C12 H12 0.9800 .
C13 H13 0.9800 .
C14 C15 1.445(6) .
C15 C16 1.345(3) .
C15 C20 1.345(3) .
C16 C17 1.345(3) .
C16 H16 0.9300 .
C17 C18 1.345(3) .
C17 H17 0.9300 .
C18 C19 1.345(3) .
C18 H18 0.9300 .
C19 C20 1.345(3) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.533(7) .
C22 C23 1.299(7) .
C23 C24 1.493(6) .
C23 H23 0.9300 .
C24 C28 1.422(2) .
C24 C25 1.422(2) .
C24 Fe2 2.040(4) .
C25 C26 1.422(2) .
C25 Fe2 2.042(5) .
C25 H25 0.9800 .
C26 C27 1.422(2) .
C26 Fe2 2.007(5) .
C26 H26 0.9800 .
C27 C28 1.422(2) .
C27 Fe2 1.984(6) .
C27 H27 0.9800 .
C28 Fe2 2.005(6) .
C28 H28 0.9800 .
Fe2 C30 2.009(7) .
Fe2 C29 2.019(5) .
Fe2 C31 2.034(8) .
Fe2 C33 2.049(7) .
Fe2 C32 2.058(8) .
C29 C33 1.385(4) .
C29 C30 1.385(4) .
C29 H29 0.9800 .
C30 C31 1.385(4) .
C30 H30 0.9800 .
C31 C32 1.385(4) .
C31 H31 0.9800 .
C32 C33 1.385(4) .
C32 H32 0.9800 .
C33 H33 0.9800 .
C34 C35 1.435(6) .
C35 C36 1.417(4) .
C35 C40 1.417(4) .
C36 C37 1.417(4) .
C36 H36 0.9300 .
C37 C38 1.417(4) .
C37 H37 0.9300 .
C38 C39 1.417(4) .
C38 H38 0.9300 .
C39 C40 1.417(4) .
C39 H39 0.9300 .
C40 H40 0.9300 .
C41 C42 1.501(8) .
C42 C43 1.324(8) .
C43 C44 1.419(7) .
C43 H43 0.9300 .
C44 C48 1.426(3) .
C44 C45 1.426(3) .
C44 Fe3 2.018(4) .
C45 C46 1.425(3) .
C45 Fe3 1.988(6) .
C45 H45 0.9800 .
C46 C47 1.425(3) .
C46 Fe3 1.992(6) .
C46 H46 0.9800 .
C47 C48 1.425(3) .
C47 Fe3 2.024(7) .
C47 H47 0.9800 .
C48 Fe3 2.040(6) .
C48 H48 0.9800 .
Fe3 C52 1.971(9) .
Fe3 C51 1.979(9) .
Fe3 C53 2.036(9) .
Fe3 C50 2.050(8) .
Fe3 C49 2.084(7) .
C49 C50 1.312(5) .
C49 C53 1.312(5) .
C49 H49 0.9300 .
C50 C51 1.311(5) .
C50 H50 0.9300 .
C51 C52 1.312(5) .
C51 H51 0.9300 .
C52 C53 1.312(5) .
C52 H52 0.9300 .
C53 H53 0.9300 .
C54 C55 1.453(5) .
C55 C56 1.397(3) .
C55 C60 1.397(3) .
C56 C57 1.397(3) .
C56 H56 0.9300 .
C57 C58 1.397(3) .
C57 H57 0.9300 .
C58 C59 1.397(3) .
C58 H58 0.9300 .
C59 C60 1.397(3) .
C59 H59 0.9300 .
C60 H60 0.9300 .
C61 C62 1.487(6) .
C62 C63 1.336(8) .
C63 C64 1.461(5) .
C63 H63 0.9300 .
C64 C68 1.384(2) .
C64 C65 1.384(2) .
C64 Fe4 1.996(3) .
C65 C66 1.384(2) .
C65 Fe4 2.007(4) .
C65 H65 0.9800 .
C66 C67 1.385(2) .
C66 Fe4 2.026(5) .
C66 H66 0.9800 .
C67 C68 1.384(2) .
C67 Fe4 2.026(5) .
C67 H67 0.9800 .
C68 Fe4 2.008(4) .
C68 H68 0.9800 .
Fe4 C72 2.026(6) .
Fe4 C73 2.040(6) .
Fe4 C71 2.045(6) .
Fe4 C69 2.067(5) .
Fe4 C70 2.071(6) .
C69 C70 1.354(3) .
C69 C73 1.354(3) .
C69 H69 0.9800 .
C70 C71 1.354(3) .
C70 H70 0.9800 .
C71 C72 1.354(3) .
C71 H71 0.9800 .
C72 C73 1.354(3) .
C72 H72 0.9800 .
C73 H73 0.9800 .
C74 C75 1.446(6) .
C75 C80 1.368(2) .
C75 C76 1.368(2) .
C76 C77 1.368(2) .
C76 H76 0.9300 .
C77 C78 1.368(2) .
C77 H77 0.9300 .
C78 C79 1.368(2) .
C78 H78 0.9300 .
C79 C80 1.368(2) .
C79 H79 0.9300 .
C80 H80 0.9300 .
C81 C82 1.470(8) .
C82 C83 1.297(8) .
C83 C84 1.521(8) .
C83 H83 0.9300 .
C84 C85 1.386(4) .
C84 C88 1.387(4) .
C84 Fe5 2.046(6) .
C85 C86 1.387(4) .
C85 Fe5 2.039(7) .
C85 H85 0.9800 .
C86 C87 1.386(4) .
C86 Fe5 1.950(8) .
C86 H86 0.9800 .
C87 C88 1.386(4) .
C87 Fe5 1.901(9) .
C87 H87 0.9800 .
C88 Fe5 1.962(7) .
C88 H88 0.9800 .
Fe5 C91 1.967(9) .
Fe5 C90 1.992(7) .
Fe5 C92 1.968(9) .
Fe5 C89 2.009(5) .
Fe5 C93 1.994(8) .
C89 C93 1.344(4) .
C89 C90 1.344(4) .
C89 H89 0.9800 .
C90 C91 1.344(4) .
C90 H90 0.9800 .
C91 C92 1.344(4) .
C91 H91 0.9800 .
C92 C93 1.344(4) .
C92 H92 0.9800 .
C93 H93 0.9800 .
C94 C95 1.440(6) .
C95 C96 1.325(3) .
C95 C100 1.325(3) .
C96 C97 1.326(3) .
C96 H96 0.9300 .
C97 C98 1.325(3) .
C97 H97 0.9300 .
C98 C99 1.326(3) .
C98 H98 0.9300 .
C99 C100 1.325(3) .
C99 H99 0.9300 .
C100 H100 0.9300 .
C101 H101 0.9600 .
C101 H103 0.9600 .
C101 H102 0.9600 .
C102 H106 0.9600 .
C102 H104 0.9600 .
C102 H105 0.9600 .
C103 H107 0.9600 .
C103 H108 0.9600 .
C103 H109 0.9600 .
C104 H112 0.9600 .
C104 H111 0.9600 .
C104 H110 0.9600 .
C105 H115 0.9600 .
C105 H114 0.9600 .
C105 H113 0.9600 .
C106 H10A 0.9600 .
C106 H10B 0.9600 .
C106 H10C 0.9600 .
C107 H119 0.9600 .
C107 H120 0.9600 .
C107 H121 0.9600 .
C108 H124 0.9600 .
C108 H123 0.9600 .
C108 H122 0.9600 .
C109 H127 0.9600 .
C109 H126 0.9600 .
C109 H125 0.9600 .
C110 H130 0.9600 .
C110 H128 0.9600 .
C110 H129 0.9600 .
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
O19 Zn1 Zn2 O20 -18.31(19) . .
O17 Zn1 Zn2 O20 -95.06(18) . .
O18 Zn1 Zn2 O20 -173.27(19) . .
O16 Zn1 Zn2 O20 0.61(19) . .
O1 Zn1 Zn2 O20 157.24(19) . .
O4 Zn1 Zn2 O20 82.64(19) . .
Zn5 Zn1 Zn2 O20 -63.28(15) 3_566 .
O19 Zn1 Zn2 O21 74.39(18) . .
O17 Zn1 Zn2 O21 -2.36(17) . .
O18 Zn1 Zn2 O21 -80.56(19) . .
O16 Zn1 Zn2 O21 93.31(18) . .
O1 Zn1 Zn2 O21 -110.06(19) . .
O4 Zn1 Zn2 O21 175.35(19) . .
Zn5 Zn1 Zn2 O21 29.42(14) 3_566 .
O17 Zn1 Zn2 O19 -76.75(18) . .
O18 Zn1 Zn2 O19 -155.0(2) . .
O16 Zn1 Zn2 O19 18.92(19) . .
O1 Zn1 Zn2 O19 175.5(2) . .
O4 Zn1 Zn2 O19 101.0(2) . .
Zn5 Zn1 Zn2 O19 -44.97(15) 3_566 .
O19 Zn1 Zn2 O18 155.0(2) . .
O17 Zn1 Zn2 O18 78.20(19) . .
O16 Zn1 Zn2 O18 173.9(2) . .
O1 Zn1 Zn2 O18 -29.5(2) . .
O4 Zn1 Zn2 O18 -104.1(2) . .
Zn5 Zn1 Zn2 O18 109.98(16) 3_566 .
O19 Zn1 Zn2 O5 -101.38(19) . .
O17 Zn1 Zn2 O5 -178.13(18) . .
O18 Zn1 Zn2 O5 103.67(19) . .
O16 Zn1 Zn2 O5 -82.46(18) . .
O1 Zn1 Zn2 O5 74.2(2) . .
O4 Zn1 Zn2 O5 -0.42(19) . .
Zn5 Zn1 Zn2 O5 -146.35(14) 3_566 .
O19 Zn1 Zn2 O7 -177.60(18) . .
O17 Zn1 Zn2 O7 105.65(17) . .
O18 Zn1 Zn2 O7 27.45(19) . .
O16 Zn1 Zn2 O7 -158.68(17) . .
O1 Zn1 Zn2 O7 -2.1(2) . .
O4 Zn1 Zn2 O7 -76.64(19) . .
Zn5 Zn1 Zn2 O7 137.43(13) 3_566 .
O19 Zn1 Zn2 Zn3 46.41(15) . .
O17 Zn1 Zn2 Zn3 -30.35(14) . .
O18 Zn1 Zn2 Zn3 -108.55(15) . .
O16 Zn1 Zn2 Zn3 65.32(14) . .
O1 Zn1 Zn2 Zn3 -138.05(15) . .
O4 Zn1 Zn2 Zn3 147.36(15) . .
Zn5 Zn1 Zn2 Zn3 1.43(11) 3_566 .
O20 Zn2 Zn3 O21 152.6(2) . .
O19 Zn2 Zn3 O21 73.30(19) . .
O18 Zn2 Zn3 O21 -20.8(2) . .
O5 Zn2 Zn3 O21 -179.2(2) . .
O7 Zn2 Zn3 O21 -103.13(19) . .
Zn1 Zn2 Zn3 O21 44.00(17) . .
O20 Zn2 Zn3 O23 78.00(18) . .
O21 Zn2 Zn3 O23 -74.59(19) . .
O19 Zn2 Zn3 O23 -1.29(14) . .
O18 Zn2 Zn3 O23 -95.37(17) . .
O5 Zn2 Zn3 O23 106.22(18) . .
O7 Zn2 Zn3 O23 -177.72(13) . .
Zn1 Zn2 Zn3 O23 -30.60(12) . .
O21 Zn2 Zn3 O20 -152.6(2) . .
O19 Zn2 Zn3 O20 -79.29(18) . .
O18 Zn2 Zn3 O20 -173.4(2) . .
O5 Zn2 Zn3 O20 28.2(2) . .
O7 Zn2 Zn3 O20 104.28(18) . .
Zn1 Zn2 Zn3 O20 -108.60(16) . .
O20 Zn2 Zn3 O22 173.7(2) . .
O21 Zn2 Zn3 O22 21.1(2) . .
O19 Zn2 Zn3 O22 94.38(18) . .
O18 Zn2 Zn3 O22 0.3(2) . .
O5 Zn2 Zn3 O22 -158.1(2) . .
O7 Zn2 Zn3 O22 -82.05(17) . .
Zn1 Zn2 Zn3 O22 65.08(16) . .
O20 Zn2 Zn3 O10 -29.4(2) . .
O21 Zn2 Zn3 O10 178.0(2) . .
O19 Zn2 Zn3 O10 -108.71(18) . .
O18 Zn2 Zn3 O10 157.2(2) . .
O5 Zn2 Zn3 O10 -1.2(2) . .
O7 Zn2 Zn3 O10 74.85(17) . .
Zn1 Zn2 Zn3 O10 -138.02(15) . .
O20 Zn2 Zn3 O8 -107.21(17) . .
O21 Zn2 Zn3 O8 100.19(19) . .
O19 Zn2 Zn3 O8 173.49(14) . .
O18 Zn2 Zn3 O8 79.41(17) . .
O5 Zn2 Zn3 O8 -79.00(18) . .
O7 Zn2 Zn3 O8 -2.94(13) . .
Zn1 Zn2 Zn3 O8 144.19(11) . .
O20 Zn2 Zn3 Zn4 105.66(16) . .
O21 Zn2 Zn3 Zn4 -46.94(17) . .
O19 Zn2 Zn3 Zn4 26.36(12) . .
O18 Zn2 Zn3 Zn4 -67.71(16) . .
O5 Zn2 Zn3 Zn4 133.87(16) . .
O7 Zn2 Zn3 Zn4 -150.07(11) . .
Zn1 Zn2 Zn3 Zn4 -2.94(10) . .
O21 Zn3 Zn4 O25 1.28(16) . .
O23 Zn3 Zn4 O25 74.56(17) . .
O20 Zn3 Zn4 O25 95.58(16) . .
O22 Zn3 Zn4 O25 -80.07(16) . .
O10 Zn3 Zn4 O25 177.50(15) . .
O8 Zn3 Zn4 O25 -104.98(15) . .
Zn2 Zn3 Zn4 O25 31.55(13) . .
O21 Zn3 Zn4 O23 -73.28(17) . .
O20 Zn3 Zn4 O23 21.02(18) . .
O22 Zn3 Zn4 O23 -154.63(18) . .
O10 Zn3 Zn4 O23 102.93(18) . .
O8 Zn3 Zn4 O23 -179.54(18) . .
Zn2 Zn3 Zn4 O23 -43.01(15) . .
O21 Zn3 Zn4 O24 -91.82(17) . .
O23 Zn3 Zn4 O24 -18.54(18) . .
O20 Zn3 Zn4 O24 2.48(18) . .
O22 Zn3 Zn4 O24 -173.17(17) . .
O10 Zn3 Zn4 O24 84.39(17) . .
O8 Zn3 Zn4 O24 161.92(16) . .
Zn2 Zn3 Zn4 O24 -61.55(14) . .
O21 Zn3 Zn4 O22 81.35(16) . .
O23 Zn3 Zn4 O22 154.63(18) . .
O20 Zn3 Zn4 O22 175.65(17) . .
O10 Zn3 Zn4 O22 -102.43(16) . .
O8 Zn3 Zn4 O22 -24.91(16) . .
Zn2 Zn3 Zn4 O22 111.62(13) . .
O21 Zn3 Zn4 O11 -175.00(15) . .
O23 Zn3 Zn4 O11 -101.72(17) . .
O20 Zn3 Zn4 O11 -80.70(16) . .
O22 Zn3 Zn4 O11 103.65(16) . .
O10 Zn3 Zn4 O11 1.21(15) . .
O8 Zn3 Zn4 O11 78.74(16) . .
Zn2 Zn3 Zn4 O11 -144.73(12) . .
O21 Zn3 Zn4 O13 109.42(18) . .
O23 Zn3 Zn4 O13 -177.3(2) . .
O20 Zn3 Zn4 O13 -156.27(18) . .
O22 Zn3 Zn4 O13 28.08(19) . .
O10 Zn3 Zn4 O13 -74.36(18) . .
O8 Zn3 Zn4 O13 3.17(19) . .
Zn2 Zn3 Zn4 O13 139.69(15) . .
O21 Zn3 Zn4 Zn5 -25.65(13) . .
O23 Zn3 Zn4 Zn5 47.63(14) . .
O20 Zn3 Zn4 Zn5 68.65(14) . .
O22 Zn3 Zn4 Zn5 -107.00(13) . .
O10 Zn3 Zn4 Zn5 150.57(12) . .
O8 Zn3 Zn4 Zn5 -131.90(12) . .
Zn2 Zn3 Zn4 Zn5 4.62(10) . .
O23 Zn4 Zn5 O25 72.79(18) . .
O24 Zn4 Zn5 O25 153.14(19) . .
O22 Zn4 Zn5 O25 -22.39(19) . .
O11 Zn4 Zn5 O25 -178.9(2) . .
O13 Zn4 Zn5 O25 -103.92(19) . .
Zn3 Zn4 Zn5 O25 42.17(15) . .
O25 Zn4 Zn5 O24 -153.14(19) . .
O23 Zn4 Zn5 O24 -80.36(17) . .
O22 Zn4 Zn5 O24 -175.54(18) . .
O11 Zn4 Zn5 O24 27.91(18) . .
O13 Zn4 Zn5 O24 102.94(18) . .
Zn3 Zn4 Zn5 O24 -110.98(14) . .
O25 Zn4 Zn5 O16 18.76(19) . 3_566
O23 Zn4 Zn5 O16 91.54(17) . 3_566
O24 Zn4 Zn5 O16 171.90(19) . 3_566
O22 Zn4 Zn5 O16 -3.64(19) . 3_566
O11 Zn4 Zn5 O16 -160.19(18) . 3_566
O13 Zn4 Zn5 O16 -85.16(18) . 3_566
Zn3 Zn4 Zn5 O16 60.92(15) . 3_566
O25 Zn4 Zn5 O17 -76.40(18) . 3_566
O23 Zn4 Zn5 O17 -3.61(16) . 3_566
O24 Zn4 Zn5 O17 76.75(17) . 3_566
O22 Zn4 Zn5 O17 -98.79(17) . 3_566
O11 Zn4 Zn5 O17 104.66(17) . 3_566
O13 Zn4 Zn5 O17 179.69(17) . 3_566
Zn3 Zn4 Zn5 O17 -34.23(14) . 3_566
O25 Zn4 Zn5 O2 175.9(2) . 3_566
O23 Zn4 Zn5 O2 -111.30(19) . 3_566
O24 Zn4 Zn5 O2 -30.9(2) . 3_566
O22 Zn4 Zn5 O2 153.52(19) . 3_566
O11 Zn4 Zn5 O2 -3.0(2) . 3_566
O13 Zn4 Zn5 O2 72.0(2) . 3_566
Zn3 Zn4 Zn5 O2 -141.92(15) . 3_566
O25 Zn4 Zn5 O14 103.08(19) . .
O23 Zn4 Zn5 O14 175.86(17) . .
O24 Zn4 Zn5 O14 -103.78(19) . .
O22 Zn4 Zn5 O14 80.69(18) . .
O11 Zn4 Zn5 O14 -75.86(19) . .
O13 Zn4 Zn5 O14 -0.84(19) . .
Zn3 Zn4 Zn5 O14 145.25(14) . .
O25 Zn4 Zn5 Zn1 -46.27(15) . 3_566
O23 Zn4 Zn5 Zn1 26.51(14) . 3_566
O24 Zn4 Zn5 Zn1 106.87(14) . 3_566
O22 Zn4 Zn5 Zn1 -68.67(14) . 3_566
O11 Zn4 Zn5 Zn1 134.79(14) . 3_566
O13 Zn4 Zn5 Zn1 -150.19(14) . 3_566
Zn3 Zn4 Zn5 Zn1 -4.10(11) . 3_566
O19 Zn1 O1 C1 -179(44) . .
O17 Zn1 O1 C1 46.9(5) . .
O18 Zn1 O1 C1 145.4(5) . .
O16 Zn1 O1 C1 -32.0(5) . .
O4 Zn1 O1 C1 -124.5(5) . .
Zn5 Zn1 O1 C1 7.2(5) 3_566 .
Zn2 Zn1 O1 C1 164.0(4) . .
O19 Zn1 O4 C21 40.8(5) . .
O17 Zn1 O4 C21 169.7(9) . .
O18 Zn1 O4 C21 -36.6(6) . .
O16 Zn1 O4 C21 138.6(6) . .
O1 Zn1 O4 C21 -131.3(6) . .
Zn5 Zn1 O4 C21 156.5(5) 3_566 .
Zn2 Zn1 O4 C21 2.2(5) . .
O20 Zn2 O5 C21 -139.0(5) . .
O21 Zn2 O5 C21 -159.5(8) . .
O19 Zn2 O5 C21 -39.1(5) . .
O18 Zn2 O5 C21 37.6(5) . .
O7 Zn2 O5 C21 130.6(5) . .
Zn3 Zn2 O5 C21 -156.8(5) . .
Zn1 Zn2 O5 C21 -1.2(5) . .
O20 Zn2 O7 C41 44.0(4) . .
O21 Zn2 O7 C41 -32.5(4) . .
O19 Zn2 O7 C41 -157.5(6) . .
O18 Zn2 O7 C41 -132.5(4) . .
O5 Zn2 O7 C41 137.4(4) . .
Zn3 Zn2 O7 C41 5.4(4) . .
Zn1 Zn2 O7 C41 -149.8(4) . .
O21 Zn3 O8 C41 41.1(4) . .
O23 Zn3 O8 C41 157.1(6) . .
O20 Zn3 O8 C41 -35.3(4) . .
O22 Zn3 O8 C41 142.9(4) . .
O10 Zn3 O8 C41 -128.4(4) . .
Zn2 Zn3 O8 C41 2.2(4) . .
Zn4 Zn3 O8 C41 158.6(4) . .
O21 Zn3 O10 C61 164.3(7) . .
O23 Zn3 O10 C61 40.1(5) . .
O20 Zn3 O10 C61 139.5(5) . .
O22 Zn3 O10 C61 -36.9(5) . .
O8 Zn3 O10 C61 -128.9(5) . .
Zn2 Zn3 O10 C61 157.8(4) . .
Zn4 Zn3 O10 C61 2.1(5) . .
O25 Zn4 O11 C61 -165.7(7) . .
O23 Zn4 O11 C61 -44.0(5) . .
O24 Zn4 O11 C61 -144.6(5) . .
O22 Zn4 O11 C61 33.7(5) . .
O13 Zn4 O11 C61 126.0(5) . .
Zn5 Zn4 O11 C61 -162.1(4) . .
Zn3 Zn4 O11 C61 -5.2(4) . .
O25 Zn4 O13 C81 -39.7(6) . .
O23 Zn4 O13 C81 -166.1(7) . .
O24 Zn4 O13 C81 36.6(6) . .
O22 Zn4 O13 C81 -139.4(6) . .
O11 Zn4 O13 C81 130.5(6) . .
Zn5 Zn4 O13 C81 -2.0(5) . .
Zn3 Zn4 O13 C81 -157.1(5) . .
O25 Zn5 O14 C81 42.1(6) . .
O24 Zn5 O14 C81 -34.5(6) . .
O16 Zn5 O14 C81 141.3(6) 3_566 .
O17 Zn5 O14 C81 -179(49) 3_566 .
O2 Zn5 O14 C81 -130.3(6) 3_566 .
Zn4 Zn5 O14 C81 4.2(6) . .
Zn1 Zn5 O14 C81 160.4(5) 3_566 .
O19 Zn1 O16 C101 101.1(5) . .
O17 Zn1 O16 C101 -162.2(5) . .
O18 Zn1 O16 C101 133.8(13) . .
O1 Zn1 O16 C101 -73.6(5) . .
O4 Zn1 O16 C101 12.5(5) . .
Zn5 Zn1 O16 C101 -146.1(6) 3_566 .
Zn2 Zn1 O16 C101 89.1(5) . .
O19 Zn1 O16 Zn5 -112.79(16) . 3_566
O17 Zn1 O16 Zn5 -16.10(15) . 3_566
O18 Zn1 O16 Zn5 -80.1(15) . 3_566
O1 Zn1 O16 Zn5 72.54(17) . 3_566
O4 Zn1 O16 Zn5 158.66(18) . 3_566
Zn2 Zn1 O16 Zn5 -124.80(12) . 3_566
O19 Zn1 O17 C102 -103.9(4) . .
O18 Zn1 O17 C102 -25.4(4) . .
O16 Zn1 O17 C102 159.7(4) . .
O1 Zn1 O17 C102 69.1(4) . .
O4 Zn1 O17 C102 127.9(10) . .
Zn5 Zn1 O17 C102 143.6(5) 3_566 .
Zn2 Zn1 O17 C102 -65.2(4) . .
O19 Zn1 O17 Zn5 112.54(15) . 3_566
O18 Zn1 O17 Zn5 -169.01(16) . 3_566
O16 Zn1 O17 Zn5 16.10(16) . 3_566
O1 Zn1 O17 Zn5 -74.48(17) . 3_566
O4 Zn1 O17 Zn5 -15.7(11) . 3_566
Zn2 Zn1 O17 Zn5 151.22(10) . 3_566
O19 Zn1 O18 C103 -166.6(4) . .
O17 Zn1 O18 C103 97.1(4) . .
O16 Zn1 O18 C103 160.1(13) . .
O1 Zn1 O18 C103 7.6(4) . .
O4 Zn1 O18 C103 -78.5(4) . .
Zn5 Zn1 O18 C103 86.3(4) 3_566 .
Zn2 Zn1 O18 C103 -150.6(5) . .
O19 Zn1 O18 Zn2 -16.00(12) . .
O17 Zn1 O18 Zn2 -112.37(15) . .
O16 Zn1 O18 Zn2 -49.3(15) . .
O1 Zn1 O18 Zn2 158.22(15) . .
O4 Zn1 O18 Zn2 72.09(17) . .
Zn5 Zn1 O18 Zn2 -123.08(12) 3_566 .
O20 Zn2 O18 C103 -143.8(15) . .
O21 Zn2 O18 C103 -98.4(5) . .
O19 Zn2 O18 C103 166.8(5) . .
O5 Zn2 O18 C103 78.4(5) . .
O7 Zn2 O18 C103 -8.3(5) . .
Zn3 Zn2 O18 C103 -85.3(5) . .
Zn1 Zn2 O18 C103 151.0(5) . .
O20 Zn2 O18 Zn1 65.2(16) . .
O21 Zn2 O18 Zn1 110.61(14) . .
O19 Zn2 O18 Zn1 15.84(13) . .
O5 Zn2 O18 Zn1 -72.60(15) . .
O7 Zn2 O18 Zn1 -159.27(14) . .
Zn3 Zn2 O18 Zn1 123.75(11) . .
O17 Zn1 O19 C104 -109.5(4) . .
O18 Zn1 O19 C104 153.4(4) . .
O16 Zn1 O19 C104 -29.7(4) . .
O1 Zn1 O19 C104 116.9(9) . .
O4 Zn1 O19 C104 62.7(4) . .
Zn5 Zn1 O19 C104 -69.5(4) 3_566 .
Zn2 Zn1 O19 C104 137.2(5) . .
O17 Zn1 O19 Zn2 113.32(14) . .
O18 Zn1 O19 Zn2 16.28(13) . .
O16 Zn1 O19 Zn2 -166.84(13) . .
O1 Zn1 O19 Zn2 -20.2(10) . .
O4 Zn1 O19 Zn2 -74.50(15) . .
Zn5 Zn1 O19 Zn2 153.29(8) 3_566 .
O20 Zn2 O19 C104 26.7(5) . .
O21 Zn2 O19 C104 104.2(5) . .
O18 Zn2 O19 C104 -157.1(5) . .
O5 Zn2 O19 C104 -66.5(5) . .
O7 Zn2 O19 C104 -131.4(7) . .
Zn3 Zn2 O19 C104 66.7(4) . .
Zn1 Zn2 O19 C104 -140.9(5) . .
O20 Zn2 O19 Zn1 167.58(13) . .
O21 Zn2 O19 Zn1 -114.98(14) . .
O18 Zn2 O19 Zn1 -16.27(13) . .
O5 Zn2 O19 Zn1 74.37(16) . .
O7 Zn2 O19 Zn1 9.4(7) . .
Zn3 Zn2 O19 Zn1 -152.49(8) . .
O21 Zn2 O20 C105 -179.8(5) . .
O19 Zn2 O20 C105 -85.1(5) . .
O18 Zn2 O20 C105 -133.7(15) . .
O5 Zn2 O20 C105 4.0(5) . .
O7 Zn2 O20 C105 90.7(5) . .
Zn3 Zn2 O20 C105 162.8(6) . .
Zn1 Zn2 O20 C105 -73.6(5) . .
O21 Zn2 O20 Zn3 17.39(13) . .
O19 Zn2 O20 Zn3 112.12(14) . .
O18 Zn2 O20 Zn3 63.5(16) . .
O5 Zn2 O20 Zn3 -158.76(15) . .
O7 Zn2 O20 Zn3 -72.07(15) . .
Zn1 Zn2 O20 Zn3 123.67(11) . .
O21 Zn3 O20 C105 -179.9(6) . .
O23 Zn3 O20 C105 84.6(6) . .
O22 Zn3 O20 C105 114(2) . .
O10 Zn3 O20 C105 -4.8(6) . .
O8 Zn3 O20 C105 -92.9(6) . .
Zn2 Zn3 O20 C105 -162.3(6) . .
Zn4 Zn3 O20 C105 71.3(6) . .
O21 Zn3 O20 Zn2 -17.55(14) . .
O23 Zn3 O20 Zn2 -113.08(14) . .
O22 Zn3 O20 Zn2 -83(2) . .
O10 Zn3 O20 Zn2 157.55(16) . .
O8 Zn3 O20 Zn2 69.41(14) . .
Zn4 Zn3 O20 Zn2 -126.35(12) . .
O23 Zn3 O21 C106 -89.5(8) . .
O20 Zn3 O21 C106 172.5(8) . .
O22 Zn3 O21 C106 -11.4(8) . .
O10 Zn3 O21 C106 147.0(10) . .
O8 Zn3 O21 C106 80.1(8) . .
Zn2 Zn3 O21 C106 154.9(8) . .
Zn4 Zn3 O21 C106 -51.9(8) . .
O23 Zn3 O21 Zn2 115.57(15) . .
O20 Zn3 O21 Zn2 17.55(15) . .
O22 Zn3 O21 Zn2 -166.27(15) . .
O10 Zn3 O21 Zn2 -7.9(9) . .
O8 Zn3 O21 Zn2 -74.81(16) . .
Zn4 Zn3 O21 Zn2 153.14(9) . .
O20 Zn2 O21 C106 -173.8(7) . .
O19 Zn2 O21 C106 87.6(7) . .
O18 Zn2 O21 C106 9.9(7) . .
O5 Zn2 O21 C106 -152.7(10) . .
O7 Zn2 O21 C106 -83.1(7) . .
Zn3 Zn2 O21 C106 -156.0(7) . .
Zn1 Zn2 O21 C106 50.1(7) . .
O20 Zn2 O21 Zn3 -17.73(15) . .
O19 Zn2 O21 Zn3 -116.39(16) . .
O18 Zn2 O21 Zn3 165.93(14) . .
O5 Zn2 O21 Zn3 3.3(9) . .
O7 Zn2 O21 Zn3 72.95(16) . .
Zn1 Zn2 O21 Zn3 -153.89(9) . .
O25 Zn4 O22 C107 -97.3(4) . .
O23 Zn4 O22 C107 168.0(4) . .
O24 Zn4 O22 C107 -122.9(17) . .
O11 Zn4 O22 C107 79.2(4) . .
O13 Zn4 O22 C107 -6.9(4) . .
Zn5 Zn4 O22 C107 -83.2(4) . .
Zn3 Zn4 O22 C107 151.7(4) . .
O25 Zn4 O22 Zn3 110.99(13) . .
O23 Zn4 O22 Zn3 16.30(11) . .
O24 Zn4 O22 Zn3 85.4(17) . .
O11 Zn4 O22 Zn3 -72.55(13) . .
O13 Zn4 O22 Zn3 -158.57(13) . .
Zn5 Zn4 O22 Zn3 125.08(10) . .
O21 Zn3 O22 C107 96.8(4) . .
O23 Zn3 O22 C107 -168.1(4) . .
O20 Zn3 O22 C107 161.7(19) . .
O10 Zn3 O22 C107 -79.0(4) . .
O8 Zn3 O22 C107 9.0(4) . .
Zn2 Zn3 O22 C107 83.3(4) . .
Zn4 Zn3 O22 C107 -152.0(5) . .
O21 Zn3 O22 Zn4 -111.22(14) . .
O23 Zn3 O22 Zn4 -16.12(11) . .
O20 Zn3 O22 Zn4 -46(2) . .
O10 Zn3 O22 Zn4 72.99(14) . .
O8 Zn3 O22 Zn4 161.00(12) . .
Zn2 Zn3 O22 Zn4 -124.75(13) . .
O25 Zn4 O23 C108 95.1(5) . .
O24 Zn4 O23 C108 17.8(5) . .
O22 Zn4 O23 C108 -166.4(5) . .
O11 Zn4 O23 C108 -76.0(5) . .
O13 Zn4 O23 C108 -139.1(8) . .
Zn5 Zn4 O23 C108 57.8(5) . .
Zn3 Zn4 O23 C108 -150.0(5) . .
O25 Zn4 O23 Zn3 -114.95(15) . .
O24 Zn4 O23 Zn3 167.80(12) . .
O22 Zn4 O23 Zn3 -16.45(12) . .
O11 Zn4 O23 Zn3 74.02(15) . .
O13 Zn4 O23 Zn3 10.9(9) . .
Zn5 Zn4 O23 Zn3 -152.26(8) . .
O21 Zn3 O23 C108 -92.6(5) . .
O20 Zn3 O23 C108 -15.2(5) . .
O22 Zn3 O23 C108 166.9(5) . .
O10 Zn3 O23 C108 77.8(5) . .
O8 Zn3 O23 C108 152.3(7) . .
Zn2 Zn3 O23 C108 -54.4(5) . .
Zn4 Zn3 O23 C108 150.5(5) . .
O21 Zn3 O23 Zn4 116.93(13) . .
O20 Zn3 O23 Zn4 -165.63(12) . .
O22 Zn3 O23 Zn4 16.46(12) . .
O10 Zn3 O23 Zn4 -72.62(14) . .
O8 Zn3 O23 Zn4 1.8(7) . .
Zn2 Zn3 O23 Zn4 155.18(8) . .
O25 Zn5 O24 C109 -165.0(4) . .
O16 Zn5 O24 C109 147.6(15) 3_566 .
O17 Zn5 O24 C109 98.8(4) 3_566 .
O2 Zn5 O24 C109 9.5(4) 3_566 .
O14 Zn5 O24 C109 -75.5(4) . .
Zn4 Zn5 O24 C109 -148.0(5) . .
Zn1 Zn5 O24 C109 88.1(4) 3_566 .
O25 Zn5 O24 Zn4 -17.01(12) . .
O16 Zn5 O24 Zn4 -64.4(15) 3_566 .
O17 Zn5 O24 Zn4 -113.24(15) 3_566 .
O2 Zn5 O24 Zn4 157.42(14) 3_566 .
O14 Zn5 O24 Zn4 72.43(17) . .
Zn1 Zn5 O24 Zn4 -123.92(12) 3_566 .
O25 Zn4 O24 C109 165.6(4) . .
O23 Zn4 O24 C109 -100.2(4) . .
O22 Zn4 O24 C109 -168.4(16) . .
O11 Zn4 O24 C109 -10.6(4) . .
O13 Zn4 O24 C109 75.4(4) . .
Zn5 Zn4 O24 C109 148.5(5) . .
Zn3 Zn4 O24 C109 -88.2(4) . .
O25 Zn4 O24 Zn5 17.04(12) . .
O23 Zn4 O24 Zn5 111.28(13) . .
O22 Zn4 O24 Zn5 43.1(18) . .
O11 Zn4 O24 Zn5 -159.08(13) . .
O13 Zn4 O24 Zn5 -73.09(14) . .
Zn3 Zn4 O24 Zn5 123.24(11) . .
O23 Zn4 O25 C110 111.6(5) . .
O24 Zn4 O25 C110 -148.9(5) . .
O22 Zn4 O25 C110 33.0(5) . .
O11 Zn4 O25 C110 -127.2(8) . .
O13 Zn4 O25 C110 -59.3(5) . .
Zn5 Zn4 O25 C110 -131.6(5) . .
Zn3 Zn4 O25 C110 73.2(5) . .
O23 Zn4 O25 Zn5 -116.74(15) . .
O24 Zn4 O25 Zn5 -17.31(13) . .
O22 Zn4 O25 Zn5 164.68(13) . .
O11 Zn4 O25 Zn5 4.4(8) . .
O13 Zn4 O25 Zn5 72.34(17) . .
Zn3 Zn4 O25 Zn5 -155.14(8) . .
O24 Zn5 O25 C110 149.2(4) . .
O16 Zn5 O25 C110 -35.4(4) 3_566 .
O17 Zn5 O25 C110 -114.9(4) 3_566 .
O2 Zn5 O25 C110 112.8(10) 3_566 .
O14 Zn5 O25 C110 58.8(4) . .
Zn4 Zn5 O25 C110 131.8(4) . .
Zn1 Zn5 O25 C110 -75.8(4) 3_566 .
O24 Zn5 O25 Zn4 17.41(13) . .
O16 Zn5 O25 Zn4 -167.15(13) 3_566 .
O17 Zn5 O25 Zn4 113.36(14) 3_566 .
O2 Zn5 O25 Zn4 -18.9(10) 3_566 .
O14 Zn5 O25 Zn4 -72.97(15) . .
Zn1 Zn5 O25 Zn4 152.42(8) 3_566 .
Zn1 O1 C1 O2 -13.9(10) . .
Zn1 O1 C1 C2 166.5(4) . .
Zn5 O2 C1 O1 12.0(10) 3_566 .
Zn5 O2 C1 C2 -168.4(4) 3_566 .
C14 N1 C2 C3 -123.4(8) . .
C14 N1 C2 C1 53.6(9) . .
O1 C1 C2 C3 -153.4(7) . .
O2 C1 C2 C3 26.9(10) . .
O1 C1 C2 N1 29.4(9) . .
O2 C1 C2 N1 -150.3(6) . .
N1 C2 C3 C4 0.8(13) . .
C1 C2 C3 C4 -176.2(6) . .
C2 C3 C4 C5 -172.5(7) . .
C2 C3 C4 C8 9.7(11) . .
C2 C3 C4 Fe1 102.9(8) . .
C8 C4 C5 C6 0.0 . .
C3 C4 C5 C6 -178.2(4) . .
Fe1 C4 C5 C6 -60.4(2) . .
C8 C4 C5 Fe1 60.4(2) . .
C3 C4 C5 Fe1 -117.8(4) . .
C4 C5 C6 C7 0.0 . .
Fe1 C5 C6 C7 -60.3(2) . .
C4 C5 C6 Fe1 60.2(2) . .
C5 C6 C7 C8 0.0 . .
Fe1 C6 C7 C8 -58.07(18) . .
C5 C6 C7 Fe1 58.08(18) . .
C6 C7 C8 C4 0.0 . .
Fe1 C7 C8 C4 -56.9(2) . .
C6 C7 C8 Fe1 56.9(2) . .
C5 C4 C8 C7 0.0 . .
C3 C4 C8 C7 178.0(5) . .
Fe1 C4 C8 C7 58.3(2) . .
C5 C4 C8 Fe1 -58.3(2) . .
C3 C4 C8 Fe1 119.8(5) . .
C6 C5 Fe1 C4 118.59(13) . .
C4 C5 Fe1 C6 -118.59(13) . .
C4 C5 Fe1 C8 -37.66(8) . .
C6 C5 Fe1 C8 80.93(15) . .
C4 C5 Fe1 C7 -81.02(14) . .
C6 C5 Fe1 C7 37.57(8) . .
C4 C5 Fe1 C12 164.9(5) . .
C6 C5 Fe1 C12 -76.5(5) . .
C4 C5 Fe1 C11 -175.1(16) . .
C6 C5 Fe1 C11 -56.5(15) . .
C4 C5 Fe1 C13 124.9(4) . .
C6 C5 Fe1 C13 -116.5(4) . .
C4 C5 Fe1 C10 54.9(8) . .
C6 C5 Fe1 C10 173.5(8) . .
C4 C5 Fe1 C9 82.6(3) . .
C6 C5 Fe1 C9 -158.8(3) . .
C8 C4 Fe1 C5 -119.24(13) . .
C3 C4 Fe1 C5 116.0(5) . .
C5 C4 Fe1 C6 38.56(10) . .
C8 C4 Fe1 C6 -80.68(16) . .
C3 C4 Fe1 C6 154.5(5) . .
C5 C4 Fe1 C8 119.24(13) . .
C3 C4 Fe1 C8 -124.8(5) . .
C5 C4 Fe1 C7 82.42(15) . .
C8 C4 Fe1 C7 -36.83(10) . .
C3 C4 Fe1 C7 -161.6(5) . .
C5 C4 Fe1 C12 -40.7(11) . .
C8 C4 Fe1 C12 -159.9(11) . .
C3 C4 Fe1 C12 75.3(12) . .
C5 C4 Fe1 C11 176.7(10) . .
C8 C4 Fe1 C11 57.5(10) . .
C3 C4 Fe1 C11 -67.3(11) . .
C5 C4 Fe1 C13 -69.5(4) . .
C8 C4 Fe1 C13 171.2(4) . .
C3 C4 Fe1 C13 46.4(6) . .
C5 C4 Fe1 C10 -153.0(5) . .
C8 C4 Fe1 C10 87.7(5) . .
C3 C4 Fe1 C10 -37.1(7) . .
C5 C4 Fe1 C9 -111.1(4) . .
C8 C4 Fe1 C9 129.6(4) . .
C3 C4 Fe1 C9 4.8(6) . .
C7 C6 Fe1 C5 119.34(11) . .
C5 C6 Fe1 C4 -38.60(10) . .
C7 C6 Fe1 C4 80.74(16) . .
C5 C6 Fe1 C8 -82.54(13) . .
C7 C6 Fe1 C8 36.80(10) . .
C5 C6 Fe1 C7 -119.34(11) . .
C5 C6 Fe1 C12 121.2(5) . .
C7 C6 Fe1 C12 -119.4(6) . .
C5 C6 Fe1 C11 162.4(6) . .
C7 C6 Fe1 C11 -78.2(6) . .
C5 C6 Fe1 C13 76.6(4) . .
C7 C6 Fe1 C13 -164.0(4) . .
C5 C6 Fe1 C10 -165.5(17) . .
C7 C6 Fe1 C10 -46.2(17) . .
C5 C6 Fe1 C9 41.5(6) . .
C7 C6 Fe1 C9 160.9(6) . .
C7 C8 Fe1 C5 -82.07(15) . .
C4 C8 Fe1 C5 38.42(10) . .
C7 C8 Fe1 C4 -120.49(14) . .
C7 C8 Fe1 C6 -37.20(9) . .
C4 C8 Fe1 C6 83.29(16) . .
C4 C8 Fe1 C7 120.49(14) . .
C7 C8 Fe1 C12 42.4(10) . .
C4 C8 Fe1 C12 162.9(10) . .
C7 C8 Fe1 C11 84.7(5) . .
C4 C8 Fe1 C11 -154.8(5) . .
C7 C8 Fe1 C13 -143.6(11) . .
C4 C8 Fe1 C13 -23.1(11) . .
C7 C8 Fe1 C10 129.2(5) . .
C4 C8 Fe1 C10 -110.3(4) . .
C7 C8 Fe1 C9 173.1(5) . .
C4 C8 Fe1 C9 -66.4(5) . .
C8 C7 Fe1 C5 82.22(13) . .
C6 C7 Fe1 C5 -38.35(10) . .
C8 C7 Fe1 C4 37.29(9) . .
C6 C7 Fe1 C4 -83.28(17) . .
C8 C7 Fe1 C6 120.57(13) . .
C6 C7 Fe1 C8 -120.57(13) . .
C8 C7 Fe1 C12 -161.9(6) . .
C6 C7 Fe1 C12 77.5(6) . .
C8 C7 Fe1 C11 -115.6(5) . .
C6 C7 Fe1 C11 123.8(5) . .
C8 C7 Fe1 C13 153.9(9) . .
C6 C7 Fe1 C13 33.3(9) . .
C8 C7 Fe1 C10 -71.5(5) . .
C6 C7 Fe1 C10 168.0(5) . .
C8 C7 Fe1 C9 -21.6(14) . .
C6 C7 Fe1 C9 -142.1(15) . .
C5 Fe1 C9 C13 79.3(4) . .
C4 Fe1 C9 C13 122.0(4) . .
C6 Fe1 C9 C13 50.5(6) . .
C8 Fe1 C9 C13 160.0(5) . .
C7 Fe1 C9 C13 177.0(15) . .
C12 Fe1 C9 C13 -38.4(2) . .
C11 Fe1 C9 C13 -83.4(3) . .
C10 Fe1 C9 C13 -120.7(2) . .
C5 Fe1 C9 C10 -160.0(4) . .
C4 Fe1 C9 C10 -117.3(4) . .
C6 Fe1 C9 C10 171.2(7) . .
C8 Fe1 C9 C10 -79.2(5) . .
C7 Fe1 C9 C10 -62.3(14) . .
C12 Fe1 C9 C10 82.4(3) . .
C11 Fe1 C9 C10 37.3(2) . .
C13 Fe1 C9 C10 120.7(2) . .
C13 C9 C10 C11 0.0 . .
Fe1 C9 C10 C11 -56.7(4) . .
C13 C9 C10 Fe1 56.7(4) . .
C5 Fe1 C10 C11 160.8(10) . .
C4 Fe1 C10 C11 -161.3(5) . .
C6 Fe1 C10 C11 -39.0(15) . .
C8 Fe1 C10 C11 -117.4(5) . .
C7 Fe1 C10 C11 -76.8(4) . .
C12 Fe1 C10 C11 38.0(2) . .
C13 Fe1 C10 C11 83.3(3) . .
C9 Fe1 C10 C11 121.1(3) . .
C5 Fe1 C10 C9 39.7(8) . .
C4 Fe1 C10 C9 77.7(4) . .
C6 Fe1 C10 C9 -160.1(16) . .
C8 Fe1 C10 C9 121.6(4) . .
C7 Fe1 C10 C9 162.2(4) . .
C12 Fe1 C10 C9 -83.1(4) . .
C11 Fe1 C10 C9 -121.1(3) . .
C13 Fe1 C10 C9 -37.7(2) . .
C9 C10 C11 C12 0.0 . .
Fe1 C10 C11 C12 -57.0(5) . .
C9 C10 C11 Fe1 57.0(5) . .
C5 Fe1 C11 C12 -25.3(15) . .
C4 Fe1 C11 C12 162.3(11) . .
C6 Fe1 C11 C12 -69.8(4) . .
C8 Fe1 C11 C12 -156.9(4) . .
C7 Fe1 C11 C12 -113.1(4) . .
C13 Fe1 C11 C12 38.4(2) . .
C10 Fe1 C11 C12 120.4(3) . .
C9 Fe1 C11 C12 83.2(3) . .
C5 Fe1 C11 C10 -145.7(16) . .
C4 Fe1 C11 C10 41.9(9) . .
C6 Fe1 C11 C10 169.8(5) . .
C8 Fe1 C11 C10 82.7(3) . .
C7 Fe1 C11 C10 126.5(3) . .
C12 Fe1 C11 C10 -120.4(3) . .
C13 Fe1 C11 C10 -82.0(3) . .
C9 Fe1 C11 C10 -37.19(18) . .
C10 C11 C12 C13 0.0 . .
Fe1 C11 C12 C13 -58.4(4) . .
C10 C11 C12 Fe1 58.4(4) . .
C5 Fe1 C12 C11 171.7(5) . .
C4 Fe1 C12 C11 -157.5(12) . .
C6 Fe1 C12 C11 129.4(4) . .
C8 Fe1 C12 C11 57.3(9) . .
C7 Fe1 C12 C11 87.9(4) . .
C13 Fe1 C12 C11 -119.8(2) . .
C10 Fe1 C12 C11 -37.5(2) . .
C9 Fe1 C12 C11 -81.8(3) . .
C5 Fe1 C12 C13 -68.6(4) . .
C4 Fe1 C12 C13 -37.7(10) . .
C6 Fe1 C12 C13 -110.8(4) . .
C8 Fe1 C12 C13 177.0(10) . .
C7 Fe1 C12 C13 -152.4(4) . .
C11 Fe1 C12 C13 119.8(2) . .
C10 Fe1 C12 C13 82.2(3) . .
C9 Fe1 C12 C13 38.0(2) . .
C10 C9 C13 C12 0.0 . .
Fe1 C9 C13 C12 57.8(4) . .
C10 C9 C13 Fe1 -57.9(4) . .
C11 C12 C13 C9 0.0 . .
Fe1 C12 C13 C9 -58.9(4) . .
C11 C12 C13 Fe1 58.9(4) . .
C5 Fe1 C13 C9 -113.5(3) . .
C4 Fe1 C13 C9 -74.0(4) . .
C6 Fe1 C13 C9 -154.7(4) . .
C8 Fe1 C13 C9 -56.6(11) . .
C7 Fe1 C13 C9 -178.2(9) . .
C12 Fe1 C13 C9 119.9(3) . .
C11 Fe1 C13 C9 81.7(3) . .
C10 Fe1 C13 C9 37.31(17) . .
C5 Fe1 C13 C12 126.6(4) . .
C4 Fe1 C13 C12 166.1(5) . .
C6 Fe1 C13 C12 85.3(4) . .
C8 Fe1 C13 C12 -176.5(12) . .
C7 Fe1 C13 C12 61.9(8) . .
C11 Fe1 C13 C12 -38.21(17) . .
C10 Fe1 C13 C12 -82.6(3) . .
C9 Fe1 C13 C12 -119.9(3) . .
C2 N1 C14 O3 6.9(10) . .
C2 N1 C14 C15 -179.5(5) . .
O3 C14 C15 C16 -150.3(7) . .
N1 C14 C15 C16 36.8(7) . .
O3 C14 C15 C20 22.6(8) . .
N1 C14 C15 C20 -150.3(5) . .
C20 C15 C16 C17 0.0 . .
C14 C15 C16 C17 172.6(5) . .
C15 C16 C17 C18 0.0 . .
C16 C17 C18 C19 0.0 . .
C17 C18 C19 C20 0.0 . .
C18 C19 C20 C15 0.0 . .
C16 C15 C20 C19 0.0 . .
C14 C15 C20 C19 -173.2(4) . .
Zn1 O4 C21 O5 -4.1(10) . .
Zn1 O4 C21 C22 177.8(5) . .
Zn2 O5 C21 O4 3.4(10) . .
Zn2 O5 C21 C22 -178.4(5) . .
C34 N2 C22 C23 -82.1(10) . .
C34 N2 C22 C21 103.5(7) . .
O4 C21 C22 C23 -177.0(7) . .
O5 C21 C22 C23 4.6(11) . .
O4 C21 C22 N2 -2.2(10) . .
O5 C21 C22 N2 179.4(7) . .
N2 C22 C23 C24 -0.6(14) . .
C21 C22 C23 C24 173.5(7) . .
C22 C23 C24 C28 176.7(7) . .
C22 C23 C24 C25 -16.8(11) . .
C22 C23 C24 Fe2 -101.8(8) . .
C28 C24 C25 C26 0.0 . .
C23 C24 C25 C26 -168.2(5) . .
Fe2 C24 C25 C26 -57.40(19) . .
C28 C24 C25 Fe2 57.40(19) . .
C23 C24 C25 Fe2 -110.8(5) . .
C24 C25 C26 C27 0.0 . .
Fe2 C25 C26 C27 -58.3(2) . .
C24 C25 C26 Fe2 58.3(2) . .
C25 C26 C27 C28 0.0 . .
Fe2 C26 C27 C28 -59.81(16) . .
C25 C26 C27 Fe2 59.80(16) . .
C25 C24 C28 C27 0.0 . .
C23 C24 C28 C27 168.6(5) . .
Fe2 C24 C28 C27 58.37(17) . .
C25 C24 C28 Fe2 -58.38(17) . .
C23 C24 C28 Fe2 110.3(5) . .
C26 C27 C28 C24 0.0 . .
Fe2 C27 C28 C24 -59.87(18) . .
C26 C27 C28 Fe2 59.88(18) . .
C26 C27 Fe2 C28 -118.91(10) . .
C28 C27 Fe2 C26 118.91(10) . .
C28 C27 Fe2 C30 -58.0(7) . .
C26 C27 Fe2 C30 -176.9(7) . .
C28 C27 Fe2 C29 161.0(6) . .
C26 C27 Fe2 C29 42.1(5) . .
C28 C27 Fe2 C31 -88.2(3) . .
C26 C27 Fe2 C31 152.8(4) . .
C28 C27 Fe2 C24 37.68(7) . .
C26 C27 Fe2 C24 -81.23(12) . .
C28 C27 Fe2 C25 81.29(11) . .
C26 C27 Fe2 C25 -37.62(8) . .
C28 C27 Fe2 C33 -169.4(3) . .
C26 C27 Fe2 C33 71.7(3) . .
C28 C27 Fe2 C32 -129.0(3) . .
C26 C27 Fe2 C32 112.1(3) . .
C24 C28 Fe2 C27 119.40(11) . .
C24 C28 Fe2 C26 81.06(12) . .
C27 C28 Fe2 C26 -38.33(7) . .
C24 C28 Fe2 C30 -83.0(3) . .
C27 C28 Fe2 C30 157.6(3) . .
C24 C28 Fe2 C29 -43.2(5) . .
C27 C28 Fe2 C29 -162.6(6) . .
C24 C28 Fe2 C31 -126.8(3) . .
C27 C28 Fe2 C31 113.8(3) . .
C27 C28 Fe2 C24 -119.40(10) . .
C24 C28 Fe2 C25 37.08(7) . .
C27 C28 Fe2 C25 -82.31(11) . .
C24 C28 Fe2 C33 150.7(8) . .
C27 C28 Fe2 C33 31.3(8) . .
C24 C28 Fe2 C32 -169.2(4) . .
C27 C28 Fe2 C32 71.4(4) . .
C25 C26 Fe2 C27 -119.46(11) . .
C25 C26 Fe2 C28 -81.10(11) . .
C27 C26 Fe2 C28 38.36(9) . .
C25 C26 Fe2 C30 57.2(8) . .
C27 C26 Fe2 C30 176.7(8) . .
C25 C26 Fe2 C29 76.8(2) . .
C27 C26 Fe2 C29 -163.7(2) . .
C25 C26 Fe2 C31 179.0(7) . .
C27 C26 Fe2 C31 -61.6(6) . .
C25 C26 Fe2 C24 -37.07(8) . .
C27 C26 Fe2 C24 82.38(14) . .
C27 C26 Fe2 C25 119.46(10) . .
C25 C26 Fe2 C33 115.5(2) . .
C27 C26 Fe2 C33 -125.1(2) . .
C25 C26 Fe2 C32 154.9(3) . .
C27 C26 Fe2 C32 -85.6(3) . .
C28 C24 Fe2 C27 -38.22(9) . .
C25 C24 Fe2 C27 82.06(12) . .
C23 C24 Fe2 C27 -156.0(3) . .
C25 C24 Fe2 C28 120.28(11) . .
C23 C24 Fe2 C28 -117.8(4) . .
C28 C24 Fe2 C26 -82.92(14) . .
C25 C24 Fe2 C26 37.36(9) . .
C23 C24 Fe2 C26 159.3(4) . .
C28 C24 Fe2 C30 118.4(3) . .
C25 C24 Fe2 C30 -121.3(3) . .
C23 C24 Fe2 C30 0.6(4) . .
C28 C24 Fe2 C29 162.0(3) . .
C25 C24 Fe2 C29 -77.7(2) . .
C23 C24 Fe2 C29 44.2(4) . .
C28 C24 Fe2 C31 77.2(3) . .
C25 C24 Fe2 C31 -162.6(4) . .
C23 C24 Fe2 C31 -40.7(5) . .
C28 C24 Fe2 C25 -120.28(11) . .
C23 C24 Fe2 C25 121.9(4) . .
C28 C24 Fe2 C33 -161.5(5) . .
C25 C24 Fe2 C33 -41.3(5) . .
C23 C24 Fe2 C33 80.6(6) . .
C28 C24 Fe2 C32 41.2(12) . .
C25 C24 Fe2 C32 161.5(12) . .
C23 C24 Fe2 C32 -76.6(12) . .
C26 C25 Fe2 C27 38.17(7) . .
C24 C25 Fe2 C27 -82.14(14) . .
C26 C25 Fe2 C28 82.91(13) . .
C24 C25 Fe2 C28 -37.41(7) . .
C24 C25 Fe2 C26 -120.32(13) . .
C26 C25 Fe2 C30 -159.3(3) . .
C24 C25 Fe2 C30 80.4(3) . .
C26 C25 Fe2 C29 -120.5(2) . .
C24 C25 Fe2 C29 119.2(2) . .
C26 C25 Fe2 C31 -178.2(11) . .
C24 C25 Fe2 C31 61.4(11) . .
C26 C25 Fe2 C24 120.32(13) . .
C26 C25 Fe2 C33 -79.4(3) . .
C24 C25 Fe2 C33 160.3(2) . .
C26 C25 Fe2 C32 -51.2(5) . .
C24 C25 Fe2 C32 -171.5(5) . .
C27 Fe2 C29 C33 40.3(6) . .
C28 Fe2 C29 C33 -173.6(6) . .
C26 Fe2 C29 C33 71.8(3) . .
C30 Fe2 C29 C33 -118.37(12) . .
C31 Fe2 C29 C33 -80.34(16) . .
C24 Fe2 C29 C33 154.9(3) . .
C25 Fe2 C29 C33 113.4(3) . .
C32 Fe2 C29 C33 -37.17(11) . .
C27 Fe2 C29 C30 158.7(7) . .
C28 Fe2 C29 C30 -55.2(5) . .
C26 Fe2 C29 C30 -169.8(3) . .
C31 Fe2 C29 C30 38.03(11) . .
C24 Fe2 C29 C30 -86.8(3) . .
C25 Fe2 C29 C30 -128.2(3) . .
C33 Fe2 C29 C30 118.37(13) . .
C32 Fe2 C29 C30 81.20(15) . .
C33 C29 C30 C31 0.0 . .
Fe2 C29 C30 C31 -61.2(2) . .
C33 C29 C30 Fe2 61.2(2) . .
C27 Fe2 C30 C29 -159.6(7) . .
C28 Fe2 C30 C29 157.3(2) . .
C26 Fe2 C30 C29 26.4(9) . .
C31 Fe2 C30 C29 -118.11(15) . .
C24 Fe2 C30 C29 113.0(2) . .
C25 Fe2 C30 C29 69.4(3) . .
C33 Fe2 C30 C29 -37.71(10) . .
C32 Fe2 C30 C29 -80.70(17) . .
C27 Fe2 C30 C31 -41.5(6) . .
C28 Fe2 C30 C31 -84.5(2) . .
C26 Fe2 C30 C31 144.5(9) . .
C29 Fe2 C30 C31 118.11(15) . .
C24 Fe2 C30 C31 -128.9(3) . .
C25 Fe2 C30 C31 -172.5(4) . .
C33 Fe2 C30 C31 80.40(15) . .
C32 Fe2 C30 C31 37.41(9) . .
C29 C30 C31 C32 0.0 . .
Fe2 C30 C31 C32 -60.8(3) . .
C29 C30 C31 Fe2 60.8(3) . .
C27 Fe2 C31 C32 -78.2(3) . .
C28 Fe2 C31 C32 -124.2(2) . .
C26 Fe2 C31 C32 -34.5(6) . .
C30 Fe2 C31 C32 118.70(15) . .
C29 Fe2 C31 C32 80.53(18) . .
C24 Fe2 C31 C32 -168.1(3) . .
C25 Fe2 C31 C32 142.8(12) . .
C33 Fe2 C31 C32 37.10(10) . .
C27 Fe2 C31 C30 163.1(3) . .
C28 Fe2 C31 C30 117.1(2) . .
C26 Fe2 C31 C30 -153.2(7) . .
C29 Fe2 C31 C30 -38.17(10) . .
C24 Fe2 C31 C30 73.2(2) . .
C25 Fe2 C31 C30 24.1(11) . .
C33 Fe2 C31 C30 -81.61(16) . .
C32 Fe2 C31 C30 -118.70(15) . .
C30 C31 C32 C33 0.0 . .
Fe2 C31 C32 C33 -59.4(2) . .
C30 C31 C32 Fe2 59.5(2) . .
C27 Fe2 C32 C31 119.6(3) . .
C28 Fe2 C32 C31 78.2(3) . .
C26 Fe2 C32 C31 163.7(3) . .
C30 Fe2 C32 C31 -37.87(11) . .
C29 Fe2 C32 C31 -81.81(17) . .
C24 Fe2 C32 C31 44.5(11) . .
C25 Fe2 C32 C31 -161.0(6) . .
C33 Fe2 C32 C31 -119.33(14) . .
C27 Fe2 C32 C33 -121.1(2) . .
C28 Fe2 C32 C33 -162.5(3) . .
C26 Fe2 C32 C33 -77.0(3) . .
C30 Fe2 C32 C33 81.46(16) . .
C29 Fe2 C32 C33 37.52(11) . .
C31 Fe2 C32 C33 119.33(14) . .
C24 Fe2 C32 C33 163.9(12) . .
C25 Fe2 C32 C33 -41.7(5) . .
C30 C29 C33 C32 0.0 . .
Fe2 C29 C33 C32 60.1(2) . .
C30 C29 C33 Fe2 -60.1(2) . .
C31 C32 C33 C29 0.0 . .
Fe2 C32 C33 C29 -59.0(3) . .
C31 C32 C33 Fe2 59.0(3) . .
C27 Fe2 C33 C29 -164.0(3) . .
C28 Fe2 C33 C29 171.6(8) . .
C26 Fe2 C33 C29 -123.5(3) . .
C30 Fe2 C33 C29 38.10(10) . .
C31 Fe2 C33 C29 81.85(17) . .
C24 Fe2 C33 C29 -53.1(5) . .
C25 Fe2 C33 C29 -81.9(3) . .
C32 Fe2 C33 C29 119.09(15) . .
C27 Fe2 C33 C32 76.9(3) . .
C28 Fe2 C33 C32 52.5(7) . .
C26 Fe2 C33 C32 117.4(3) . .
C30 Fe2 C33 C32 -80.99(15) . .
C29 Fe2 C33 C32 -119.09(15) . .
C31 Fe2 C33 C32 -37.23(9) . .
C24 Fe2 C33 C32 -172.2(6) . .
C25 Fe2 C33 C32 159.0(3) . .
C22 N2 C34 O6 36.4(9) . .
C22 N2 C34 C35 173.2(5) . .
O6 C34 C35 C36 135.7(9) . .
N2 C34 C35 C36 9.6(8) . .
O6 C34 C35 C40 -49.1(12) . .
N2 C34 C35 C40 -175.2(4) . .
C40 C35 C36 C37 0.0 . .
C34 C35 C36 C37 174.8(6) . .
C35 C36 C37 C38 0.0 . .
C36 C37 C38 C39 0.0 . .
C37 C38 C39 C40 0.0 . .
C38 C39 C40 C35 0.0 . .
C36 C35 C40 C39 0.0 . .
C34 C35 C40 C39 -175.8(5) . .
Zn3 O8 C41 O7 1.0(7) . .
Zn3 O8 C41 C42 -178.5(3) . .
Zn2 O7 C41 O8 -5.9(7) . .
Zn2 O7 C41 C42 173.6(3) . .
C54 N3 C42 C43 99.2(8) . .
C54 N3 C42 C41 -82.1(6) . .
O8 C41 C42 C43 -173.2(5) . .
O7 C41 C42 C43 7.3(7) . .
O8 C41 C42 N3 8.0(7) . .
O7 C41 C42 N3 -171.5(4) . .
N3 C42 C43 C44 3.3(9) . .
C41 C42 C43 C44 -175.4(5) . .
C42 C43 C44 C48 -163.8(5) . .
C42 C43 C44 C45 22.0(8) . .
C42 C43 C44 Fe3 110.1(6) . .
C43 C44 C45 C46 174.8(4) . .
C48 C44 C45 C46 0.0 . .
Fe3 C44 C45 C46 59.1(2) . .
C43 C44 C45 Fe3 115.8(4) . .
C48 C44 C45 Fe3 -59.1(2) . .
C44 C45 C46 C47 0.0 . .
Fe3 C45 C46 C47 59.8(2) . .
C44 C45 C46 Fe3 -59.8(2) . .
C45 C46 C47 C48 0.0 . .
Fe3 C46 C47 C48 58.84(18) . .
C45 C46 C47 Fe3 -58.82(18) . .
C46 C47 C48 C44 0.0 . .
Fe3 C47 C48 C44 57.5(2) . .
C46 C47 C48 Fe3 -57.6(2) . .
C43 C44 C48 C47 -175.3(4) . .
C45 C44 C48 C47 0.0 . .
Fe3 C44 C48 C47 -57.7(2) . .
C43 C44 C48 Fe3 -117.7(3) . .
C45 C44 C48 Fe3 57.7(2) . .
C46 C45 Fe3 C52 47.9(11) . .
C44 C45 Fe3 C52 167.1(11) . .
C46 C45 Fe3 C51 -172.3(9) . .
C44 C45 Fe3 C51 -53.1(9) . .
C46 C45 Fe3 C44 -119.19(14) . .
C44 C45 Fe3 C46 119.19(14) . .
C46 C45 Fe3 C53 77.7(4) . .
C44 C45 Fe3 C53 -163.1(3) . .
C46 C45 Fe3 C48 -81.80(14) . .
C44 C45 Fe3 C48 37.39(8) . .
C46 C45 Fe3 C47 -37.98(8) . .
C44 C45 Fe3 C47 81.21(16) . .
C46 C45 Fe3 C50 156.5(4) . .
C44 C45 Fe3 C50 -84.3(4) . .
C46 C45 Fe3 C49 116.8(3) . .
C44 C45 Fe3 C49 -124.0(3) . .
C43 C44 Fe3 C52 65.6(9) . .
C48 C44 Fe3 C52 -50.1(8) . .
C45 C44 Fe3 C52 -170.0(8) . .
C43 C44 Fe3 C51 34.0(6) . .
C48 C44 Fe3 C51 -81.7(4) . .
C45 C44 Fe3 C51 158.4(4) . .
C43 C44 Fe3 C45 -124.5(4) . .
C48 C44 Fe3 C45 119.91(12) . .
C43 C44 Fe3 C46 -162.8(4) . .
C48 C44 Fe3 C46 81.56(16) . .
C45 C44 Fe3 C46 -38.35(11) . .
C43 C44 Fe3 C53 -71.8(10) . .
C48 C44 Fe3 C53 172.5(9) . .
C45 C44 Fe3 C53 52.6(9) . .
C43 C44 Fe3 C48 115.6(4) . .
C45 C44 Fe3 C48 -119.91(11) . .
C43 C44 Fe3 C47 152.8(4) . .
C48 C44 Fe3 C47 37.16(11) . .
C45 C44 Fe3 C47 -82.75(14) . .
C43 C44 Fe3 C50 -6.9(5) . .
C48 C44 Fe3 C50 -122.6(3) . .
C45 C44 Fe3 C50 117.5(3) . .
C43 C44 Fe3 C49 -45.1(5) . .
C48 C44 Fe3 C49 -160.8(3) . .
C45 C44 Fe3 C49 79.3(3) . .
C45 C46 Fe3 C52 -163.5(4) . .
C47 C46 Fe3 C52 77.3(4) . .
C45 C46 Fe3 C51 171.0(11) . .
C47 C46 Fe3 C51 51.7(10) . .
C47 C46 Fe3 C45 -119.27(12) . .
C45 C46 Fe3 C44 38.09(10) . .
C47 C46 Fe3 C44 -81.19(17) . .
C45 C46 Fe3 C53 -123.8(3) . .
C47 C46 Fe3 C53 116.9(3) . .
C45 C46 Fe3 C48 81.98(12) . .
C47 C46 Fe3 C48 -37.29(10) . .
C45 C46 Fe3 C47 119.27(12) . .
C45 C46 Fe3 C50 -59.5(8) . .
C47 C46 Fe3 C50 -178.8(8) . .
C45 C46 Fe3 C49 -85.4(3) . .
C47 C46 Fe3 C49 155.4(3) . .
C47 C48 Fe3 C52 -80.8(4) . .
C44 C48 Fe3 C52 158.7(4) . .
C47 C48 Fe3 C51 -121.7(4) . .
C44 C48 Fe3 C51 117.9(4) . .
C47 C48 Fe3 C45 82.61(14) . .
C44 C48 Fe3 C45 -37.88(9) . .
C47 C48 Fe3 C44 120.48(14) . .
C47 C48 Fe3 C46 37.74(9) . .
C44 C48 Fe3 C46 -82.74(16) . .
C47 C48 Fe3 C53 -54.2(7) . .
C44 C48 Fe3 C53 -174.7(7) . .
C44 C48 Fe3 C47 -120.48(13) . .
C47 C48 Fe3 C50 -159.7(4) . .
C44 C48 Fe3 C50 79.8(4) . .
C47 C48 Fe3 C49 -179.8(9) . .
C44 C48 Fe3 C49 59.7(8) . .
C48 C47 Fe3 C52 117.6(4) . .
C46 C47 Fe3 C52 -122.3(4) . .
C48 C47 Fe3 C51 78.5(4) . .
C46 C47 Fe3 C51 -161.5(5) . .
C48 C47 Fe3 C45 -81.73(13) . .
C46 C47 Fe3 C45 38.32(10) . .
C48 C47 Fe3 C44 -37.21(10) . .
C46 C47 Fe3 C44 82.84(16) . .
C48 C47 Fe3 C46 -120.06(12) . .
C48 C47 Fe3 C53 156.8(4) . .
C46 C47 Fe3 C53 -83.1(4) . .
C46 C47 Fe3 C48 120.06(12) . .
C48 C47 Fe3 C50 58.5(10) . .
C46 C47 Fe3 C50 178.6(10) . .
C48 C47 Fe3 C49 179.9(6) . .
C46 C47 Fe3 C49 -60.1(6) . .
C52 Fe3 C49 C50 -81.3(2) . .
C51 Fe3 C49 C50 -37.51(16) . .
C45 Fe3 C49 C50 118.1(4) . .
C44 Fe3 C49 C50 73.5(4) . .
C46 Fe3 C49 C50 163.8(4) . .
C53 Fe3 C49 C50 -119.11(17) . .
C48 Fe3 C49 C50 27.2(8) . .
C47 Fe3 C49 C50 -152.5(8) . .
C52 Fe3 C49 C53 37.83(17) . .
C51 Fe3 C49 C53 81.6(2) . .
C45 Fe3 C49 C53 -122.8(4) . .
C44 Fe3 C49 C53 -167.4(4) . .
C46 Fe3 C49 C53 -77.1(4) . .
C48 Fe3 C49 C53 146.3(9) . .
C47 Fe3 C49 C53 -33.4(7) . .
C50 Fe3 C49 C53 119.11(17) . .
C53 C49 C50 C51 0.0 . .
Fe3 C49 C50 C51 59.3(3) . .
C53 C49 C50 Fe3 -59.3(3) . .
C52 Fe3 C50 C51 -38.75(13) . .
C45 Fe3 C50 C51 160.8(4) . .
C44 Fe3 C50 C51 115.7(3) . .
C46 Fe3 C50 C51 -155.3(10) . .
C53 Fe3 C50 C51 -81.7(2) . .
C48 Fe3 C50 C51 71.7(3) . .
C47 Fe3 C50 C51 27.2(9) . .
C49 Fe3 C50 C51 -118.2(2) . .
C52 Fe3 C50 C49 79.4(2) . .
C51 Fe3 C50 C49 118.2(2) . .
C45 Fe3 C50 C49 -81.0(4) . .
C44 Fe3 C50 C49 -126.2(3) . .
C46 Fe3 C50 C49 -37.1(9) . .
C53 Fe3 C50 C49 36.42(13) . .
C48 Fe3 C50 C49 -170.1(3) . .
C47 Fe3 C50 C49 145.3(9) . .
C49 C50 C51 C52 0.0 . .
Fe3 C50 C51 C52 62.4(4) . .
C49 C50 C51 Fe3 -62.4(4) . .
C52 Fe3 C51 C50 116.43(17) . .
C45 Fe3 C51 C50 -44.5(8) . .
C44 Fe3 C51 C50 -83.4(3) . .
C46 Fe3 C51 C50 151.1(11) . .
C53 Fe3 C51 C50 78.26(19) . .
C48 Fe3 C51 C50 -126.8(3) . .
C47 Fe3 C51 C50 -169.6(4) . .
C49 Fe3 C51 C50 36.57(13) . .
C45 Fe3 C51 C52 -160.9(9) . .
C44 Fe3 C51 C52 160.1(4) . .
C46 Fe3 C51 C52 34.7(10) . .
C53 Fe3 C51 C52 -38.17(14) . .
C48 Fe3 C51 C52 116.8(3) . .
C47 Fe3 C51 C52 74.0(3) . .
C50 Fe3 C51 C52 -116.43(18) . .
C49 Fe3 C51 C52 -79.9(2) . .
C50 C51 C52 C53 0.0 . .
Fe3 C51 C52 C53 64.8(3) . .
C50 C51 C52 Fe3 -64.8(3) . .
C51 Fe3 C52 C53 -116.22(17) . .
C45 Fe3 C52 C53 40.1(11) . .
C44 Fe3 C52 C53 -161.3(8) . .
C46 Fe3 C52 C53 77.1(3) . .
C48 Fe3 C52 C53 162.6(3) . .
C47 Fe3 C52 C53 119.8(3) . .
C50 Fe3 C52 C53 -78.32(18) . .
C49 Fe3 C52 C53 -36.76(13) . .
C45 Fe3 C52 C51 156.4(12) . .
C44 Fe3 C52 C51 -45.1(7) . .
C46 Fe3 C52 C51 -166.7(4) . .
C53 Fe3 C52 C51 116.22(17) . .
C48 Fe3 C52 C51 -81.2(3) . .
C47 Fe3 C52 C51 -124.0(3) . .
C50 Fe3 C52 C51 37.90(14) . .
C49 Fe3 C52 C51 79.5(2) . .
C50 C49 C53 C52 0.0 . .
Fe3 C49 C53 C52 -59.7(3) . .
C50 C49 C53 Fe3 59.7(3) . .
C51 C52 C53 C49 0.0 . .
Fe3 C52 C53 C49 63.1(4) . .
C51 C52 C53 Fe3 -63.1(4) . .
C52 Fe3 C53 C49 -117.8(2) . .
C51 Fe3 C53 C49 -79.0(2) . .
C45 Fe3 C53 C49 76.9(4) . .
C44 Fe3 C53 C49 35.8(10) . .
C46 Fe3 C53 C49 120.7(3) . .
C48 Fe3 C53 C49 -156.2(6) . .
C47 Fe3 C53 C49 164.9(3) . .
C50 Fe3 C53 C49 -36.31(13) . .
C51 Fe3 C53 C52 38.79(12) . .
C45 Fe3 C53 C52 -165.3(5) . .
C44 Fe3 C53 C52 153.6(11) . .
C46 Fe3 C53 C52 -121.5(4) . .
C48 Fe3 C53 C52 -38.4(6) . .
C47 Fe3 C53 C52 -77.3(4) . .
C50 Fe3 C53 C52 81.5(2) . .
C49 Fe3 C53 C52 117.8(2) . .
C42 N3 C54 O9 -2.8(10) . .
C42 N3 C54 C55 170.4(5) . .
O9 C54 C55 C56 28.6(8) . .
N3 C54 C55 C56 -144.3(5) . .
O9 C54 C55 C60 -147.9(6) . .
N3 C54 C55 C60 39.2(7) . .
C60 C55 C56 C57 0.0 . .
C54 C55 C56 C57 -176.6(4) . .
C55 C56 C57 C58 0.0 . .
C56 C57 C58 C59 0.0 . .
C57 C58 C59 C60 0.0 . .
C58 C59 C60 C55 0.0 . .
C56 C55 C60 C59 0.0 . .
C54 C55 C60 C59 176.5(4) . .
Zn3 O10 C61 O11 -6.7(9) . .
Zn3 O10 C61 C62 168.4(4) . .
Zn4 O11 C61 O10 8.6(9) . .
Zn4 O11 C61 C62 -166.5(4) . .
C74 N4 C62 C63 126.4(6) . .
C74 N4 C62 C61 -61.0(7) . .
O10 C61 C62 C63 -24.2(8) . .
O11 C61 C62 C63 151.3(6) . .
O10 C61 C62 N4 163.4(5) . .
O11 C61 C62 N4 -21.2(8) . .
N4 C62 C63 C64 -2.8(9) . .
C61 C62 C63 C64 -174.9(5) . .
C62 C63 C64 C68 164.3(5) . .
C62 C63 C64 C65 -17.6(8) . .
C62 C63 C64 Fe4 -108.4(6) . .
C68 C64 C65 C66 0.0 . .
C63 C64 C65 C66 -178.3(3) . .
Fe4 C64 C65 C66 -60.35(16) . .
C68 C64 C65 Fe4 60.35(16) . .
C63 C64 C65 Fe4 -118.0(3) . .
C64 C65 C66 C67 0.0 . .
Fe4 C65 C66 C67 -59.50(16) . .
C64 C65 C66 Fe4 59.50(16) . .
C65 C66 C67 C68 0.0 . .
Fe4 C66 C67 C68 -58.97(13) . .
C65 C66 C67 Fe4 58.97(13) . .
C66 C67 C68 C64 0.0 . .
Fe4 C67 C68 C64 -59.48(16) . .
C66 C67 C68 Fe4 59.48(16) . .
C65 C64 C68 C67 0.0 . .
C63 C64 C68 C67 178.4(3) . .
Fe4 C64 C68 C67 60.33(15) . .
C65 C64 C68 Fe4 -60.33(15) . .
C63 C64 C68 Fe4 118.1(3) . .
C68 C64 Fe4 C65 -118.57(8) . .
C63 C64 Fe4 C65 123.9(4) . .
C65 C64 Fe4 C68 118.57(8) . .
C63 C64 Fe4 C68 -117.5(4) . .
C68 C64 Fe4 C72 54.5(9) . .
C65 C64 Fe4 C72 173.1(9) . .
C63 C64 Fe4 C72 -63.0(10) . .
C68 C64 Fe4 C66 -80.96(11) . .
C65 C64 Fe4 C66 37.61(7) . .
C63 C64 Fe4 C66 161.6(4) . .
C68 C64 Fe4 C67 -37.61(7) . .
C65 C64 Fe4 C67 80.96(10) . .
C63 C64 Fe4 C67 -155.1(4) . .
C68 C64 Fe4 C73 -172.3(4) . .
C65 C64 Fe4 C73 -53.7(4) . .
C63 C64 Fe4 C73 70.3(6) . .
C68 C64 Fe4 C71 77.9(3) . .
C65 C64 Fe4 C71 -163.5(3) . .
C63 C64 Fe4 C71 -39.6(5) . .
C68 C64 Fe4 C69 157.0(2) . .
C65 C64 Fe4 C69 -84.4(2) . .
C63 C64 Fe4 C69 39.6(5) . .
C68 C64 Fe4 C70 116.4(3) . .
C65 C64 Fe4 C70 -125.0(3) . .
C63 C64 Fe4 C70 -1.1(5) . .
C66 C65 Fe4 C64 118.86(10) . .
C66 C65 Fe4 C68 80.88(10) . .
C64 C65 Fe4 C68 -37.98(6) . .
C66 C65 Fe4 C72 -57.3(5) . .
C64 C65 Fe4 C72 -176.2(5) . .
C64 C65 Fe4 C66 -118.86(10) . .
C66 C65 Fe4 C67 37.32(6) . .
C64 C65 Fe4 C67 -81.54(11) . .
C66 C65 Fe4 C73 -86.8(2) . .
C64 C65 Fe4 C73 154.3(2) . .
C66 C65 Fe4 C71 171.6(9) . .
C64 C65 Fe4 C71 52.8(9) . .
C66 C65 Fe4 C69 -127.4(2) . .
C64 C65 Fe4 C69 113.76(18) . .
C66 C65 Fe4 C70 -165.6(3) . .
C64 C65 Fe4 C70 75.6(3) . .
C67 C68 Fe4 C64 -118.85(9) . .
C67 C68 Fe4 C65 -80.86(10) . .
C64 C68 Fe4 C65 37.99(6) . .
C67 C68 Fe4 C72 76.3(3) . .
C64 C68 Fe4 C72 -164.8(3) . .
C67 C68 Fe4 C66 -37.31(6) . .
C64 C68 Fe4 C66 81.55(10) . .
C64 C68 Fe4 C67 118.85(9) . .
C67 C68 Fe4 C73 45.3(9) . .
C64 C68 Fe4 C73 164.1(9) . .
C67 C68 Fe4 C71 116.6(3) . .
C64 C68 Fe4 C71 -124.6(3) . .
C67 C68 Fe4 C69 -168.0(5) . .
C64 C68 Fe4 C69 -49.2(4) . .
C67 C68 Fe4 C70 158.3(3) . .
C64 C68 Fe4 C70 -82.8(3) . .
C65 C66 Fe4 C64 -37.91(7) . .
C67 C66 Fe4 C64 81.40(11) . .
C67 C66 Fe4 C65 119.31(9) . .
C65 C66 Fe4 C68 -81.84(9) . .
C67 C66 Fe4 C68 37.47(7) . .
C65 C66 Fe4 C72 153.8(3) . .
C67 C66 Fe4 C72 -86.9(3) . .
C65 C66 Fe4 C67 -119.31(9) . .
C65 C66 Fe4 C73 112.2(2) . .
C67 C66 Fe4 C73 -128.5(2) . .
C65 C66 Fe4 C71 -174.3(6) . .
C67 C66 Fe4 C71 -55.0(6) . .
C65 C66 Fe4 C69 72.6(2) . .
C67 C66 Fe4 C69 -168.1(2) . .
C65 C66 Fe4 C70 44.4(7) . .
C67 C66 Fe4 C70 163.7(8) . .
C68 C67 Fe4 C64 37.91(7) . .
C66 C67 Fe4 C64 -81.43(11) . .
C68 C67 Fe4 C65 81.85(9) . .
C66 C67 Fe4 C65 -37.49(7) . .
C66 C67 Fe4 C68 -119.34(8) . .
C68 C67 Fe4 C72 -126.7(3) . .
C66 C67 Fe4 C72 113.9(3) . .
C68 C67 Fe4 C66 119.34(8) . .
C68 C67 Fe4 C73 -167.7(3) . .
C66 C67 Fe4 C73 72.9(3) . .
C68 C67 Fe4 C71 -84.3(3) . .
C66 C67 Fe4 C71 156.3(3) . .
C68 C67 Fe4 C69 158.7(8) . .
C66 C67 Fe4 C69 39.4(7) . .
C68 C67 Fe4 C70 -49.6(5) . .
C66 C67 Fe4 C70 -168.9(5) . .
C64 Fe4 C69 C70 -84.1(3) . .
C65 Fe4 C69 C70 -127.0(3) . .
C68 Fe4 C69 C70 -49.9(4) . .
C72 Fe4 C69 C70 80.49(15) . .
C66 Fe4 C69 C70 -167.5(3) . .
C67 Fe4 C69 C70 161.5(8) . .
C73 Fe4 C69 C70 118.43(11) . .
C71 Fe4 C69 C70 37.27(10) . .
C64 Fe4 C69 C73 157.4(3) . .
C65 Fe4 C69 C73 114.5(3) . .
C68 Fe4 C69 C73 -168.3(5) . .
C72 Fe4 C69 C73 -37.94(10) . .
C66 Fe4 C69 C73 74.1(3) . .
C67 Fe4 C69 C73 43.1(8) . .
C71 Fe4 C69 C73 -81.17(13) . .
C70 Fe4 C69 C73 -118.43(11) . .
C73 C69 C70 C71 0.0 . .
Fe4 C69 C70 C71 -60.11(19) . .
C73 C69 C70 Fe4 60.12(19) . .
C64 Fe4 C70 C69 113.2(2) . .
C65 Fe4 C70 C69 71.5(3) . .
C68 Fe4 C70 C69 156.2(2) . .
C72 Fe4 C70 C69 -80.65(16) . .
C66 Fe4 C70 C69 37.1(8) . .
C67 Fe4 C70 C69 -168.7(5) . .
C73 Fe4 C70 C69 -37.36(10) . .
C71 Fe4 C70 C69 -118.52(12) . .
C64 Fe4 C70 C71 -128.3(3) . .
C65 Fe4 C70 C71 -170.0(3) . .
C68 Fe4 C70 C71 -85.3(2) . .
C72 Fe4 C70 C71 37.86(9) . .
C66 Fe4 C70 C71 155.6(9) . .
C67 Fe4 C70 C71 -50.1(4) . .
C73 Fe4 C70 C71 81.16(12) . .
C69 Fe4 C70 C71 118.52(12) . .
C69 C70 C71 C72 0.0 . .
Fe4 C70 C71 C72 -60.8(2) . .
C69 C70 C71 Fe4 60.7(2) . .
C64 Fe4 C71 C72 -171.0(3) . .
C65 Fe4 C71 C72 147.7(10) . .
C68 Fe4 C71 C72 -128.1(2) . .
C66 Fe4 C71 C72 -45.5(6) . .
C67 Fe4 C71 C72 -84.5(2) . .
C73 Fe4 C71 C72 38.01(9) . .
C69 Fe4 C71 C72 80.79(15) . .
C70 Fe4 C71 C72 117.84(13) . .
C64 Fe4 C71 C70 71.1(2) . .
C65 Fe4 C71 C70 29.9(9) . .
C68 Fe4 C71 C70 114.09(17) . .
C72 Fe4 C71 C70 -117.84(13) . .
C66 Fe4 C71 C70 -163.4(6) . .
C67 Fe4 C71 C70 157.7(2) . .
C73 Fe4 C71 C70 -79.83(14) . .
C69 Fe4 C71 C70 -37.05(9) . .
C70 C71 C72 C73 0.0 . .
Fe4 C71 C72 C73 -62.0(2) . .
C70 C71 C72 Fe4 62.0(2) . .
C64 Fe4 C72 C71 29.7(8) . .
C65 Fe4 C72 C71 -160.4(6) . .
C68 Fe4 C72 C71 73.5(2) . .
C66 Fe4 C72 C71 159.8(3) . .
C67 Fe4 C72 C71 116.0(3) . .
C73 Fe4 C72 C71 -117.42(12) . .
C69 Fe4 C72 C71 -79.88(15) . .
C70 Fe4 C72 C71 -37.45(10) . .
C64 Fe4 C72 C73 147.2(9) . .
C65 Fe4 C72 C73 -43.0(5) . .
C68 Fe4 C72 C73 -169.1(2) . .
C66 Fe4 C72 C73 -82.8(3) . .
C67 Fe4 C72 C73 -126.6(2) . .
C71 Fe4 C72 C73 117.42(12) . .
C69 Fe4 C72 C73 37.53(10) . .
C70 Fe4 C72 C73 79.97(14) . .
C70 C69 C73 C72 0.0 . .
Fe4 C69 C73 C72 61.0(2) . .
C70 C69 C73 Fe4 -61.0(2) . .
C71 C72 C73 C69 0.0 . .
Fe4 C72 C73 C69 -62.2(2) . .
C71 C72 C73 Fe4 62.2(2) . .
C64 Fe4 C73 C69 -45.7(4) . .
C65 Fe4 C73 C69 -82.6(2) . .
C68 Fe4 C73 C69 156.6(9) . .
C72 Fe4 C73 C69 117.74(14) . .
C66 Fe4 C73 C69 -125.9(2) . .
C67 Fe4 C73 C69 -166.8(3) . .
C71 Fe4 C73 C69 79.78(14) . .
C70 Fe4 C73 C69 37.08(8) . .
C64 Fe4 C73 C72 -163.4(5) . .
C65 Fe4 C73 C72 159.6(3) . .
C68 Fe4 C73 C72 38.9(9) . .
C66 Fe4 C73 C72 116.3(3) . .
C67 Fe4 C73 C72 75.5(3) . .
C71 Fe4 C73 C72 -37.96(8) . .
C69 Fe4 C73 C72 -117.74(13) . .
C70 Fe4 C73 C72 -80.66(14) . .
C62 N4 C74 O12 -9.0(7) . .
C62 N4 C74 C75 172.8(4) . .
O12 C74 C75 C80 -161.2(4) . .
N4 C74 C75 C80 16.9(5) . .
O12 C74 C75 C76 22.2(6) . .
N4 C74 C75 C76 -159.7(4) . .
C80 C75 C76 C77 0.0 . .
C74 C75 C76 C77 176.6(3) . .
C75 C76 C77 C78 0.0 . .
C76 C77 C78 C79 0.0 . .
C77 C78 C79 C80 0.0 . .
C78 C79 C80 C75 0.0 . .
C76 C75 C80 C79 0.0 . .
C74 C75 C80 C79 -176.5(3) . .
Zn5 O14 C81 O13 -7.4(11) . .
Zn5 O14 C81 C82 171.6(5) . .
Zn4 O13 C81 O14 6.0(11) . .
Zn4 O13 C81 C82 -173.0(5) . .
O14 C81 C82 C83 -177.7(8) . .
O13 C81 C82 C83 1.4(12) . .
O14 C81 C82 N5 1.5(11) . .
O13 C81 C82 N5 -179.4(6) . .
C94 N5 C82 C83 70.8(11) . .
C94 N5 C82 C81 -108.4(8) . .
C81 C82 C83 C84 -179.6(7) . .
N5 C82 C83 C84 1.3(14) . .
C82 C83 C84 C85 -174.0(8) . .
C82 C83 C84 C88 18.1(13) . .
C82 C83 C84 Fe5 101.6(10) . .
C88 C84 C85 C86 0.0 . .
C83 C84 C85 C86 -170.1(6) . .
Fe5 C84 C85 C86 -55.6(3) . .
C88 C84 C85 Fe5 55.6(3) . .
C83 C84 C85 Fe5 -114.5(5) . .
C84 C85 C86 C87 0.0 . .
Fe5 C85 C86 C87 -58.1(3) . .
C84 C85 C86 Fe5 58.1(3) . .
C85 C86 C87 C88 0.0 . .
Fe5 C86 C87 C88 -62.0(3) . .
C85 C86 C87 Fe5 62.0(3) . .
C86 C87 C88 C84 0.0 . .
Fe5 C87 C88 C84 -61.7(3) . .
C86 C87 C88 Fe5 61.7(3) . .
C85 C84 C88 C87 0.0 . .
C83 C84 C88 C87 169.2(6) . .
Fe5 C84 C88 C87 57.7(3) . .
C85 C84 C88 Fe5 -57.7(3) . .
C83 C84 C88 Fe5 111.6(6) . .
C86 C87 Fe5 C88 -117.56(14) . .
C88 C87 Fe5 C86 117.56(14) . .
C86 C87 Fe5 C91 41.5(13) . .
C88 C87 Fe5 C91 159.1(14) . .
C86 C87 Fe5 C90 -163.0(8) . .
C88 C87 Fe5 C90 -45.4(8) . .
C86 C87 Fe5 C92 77.5(4) . .
C88 C87 Fe5 C92 -164.9(4) . .
C86 C87 Fe5 C84 -80.18(17) . .
C88 C87 Fe5 C84 37.38(10) . .
C86 C87 Fe5 C85 -37.62(11) . .
C88 C87 Fe5 C85 79.95(16) . .
C86 C87 Fe5 C89 161.3(3) . .
C88 C87 Fe5 C89 -81.1(3) . .
C86 C87 Fe5 C93 119.1(3) . .
C88 C87 Fe5 C93 -123.4(3) . .
C84 C88 Fe5 C87 118.93(16) . .
C87 C88 Fe5 C86 -39.31(11) . .
C84 C88 Fe5 C86 79.62(18) . .
C87 C88 Fe5 C91 -167.9(8) . .
C84 C88 Fe5 C91 -49.0(7) . .
C87 C88 Fe5 C90 160.1(4) . .
C84 C88 Fe5 C90 -80.9(3) . .
C87 C88 Fe5 C92 53.4(11) . .
C84 C88 Fe5 C92 172.3(12) . .
C87 C88 Fe5 C84 -118.93(15) . .
C87 C88 Fe5 C85 -82.87(18) . .
C84 C88 Fe5 C85 36.05(11) . .
C87 C88 Fe5 C89 118.7(3) . .
C84 C88 Fe5 C89 -122.4(3) . .
C87 C88 Fe5 C93 79.6(3) . .
C84 C88 Fe5 C93 -161.5(3) . .
C85 C86 Fe5 C87 -118.66(15) . .
C87 C86 Fe5 C88 39.18(12) . .
C85 C86 Fe5 C88 -79.47(17) . .
C87 C86 Fe5 C91 -167.2(5) . .
C85 C86 Fe5 C91 74.1(4) . .
C87 C86 Fe5 C90 158.6(11) . .
C85 C86 Fe5 C90 40.0(10) . .
C87 C86 Fe5 C92 -125.1(4) . .
C85 C86 Fe5 C92 116.3(4) . .
C87 C86 Fe5 C84 82.55(18) . .
C85 C86 Fe5 C84 -36.11(11) . .
C87 C86 Fe5 C85 118.66(15) . .
C87 C86 Fe5 C89 -49.4(8) . .
C85 C86 Fe5 C89 -168.0(9) . .
C87 C86 Fe5 C93 -83.2(4) . .
C85 C86 Fe5 C93 158.1(4) . .
C85 C84 Fe5 C87 82.33(19) . .
C88 C84 Fe5 C87 -38.83(13) . .
C83 C84 Fe5 C87 -161.4(5) . .
C85 C84 Fe5 C88 121.16(17) . .
C83 C84 Fe5 C88 -122.5(5) . .
C85 C84 Fe5 C86 36.92(12) . .
C88 C84 Fe5 C86 -84.2(2) . .
C83 C84 Fe5 C86 153.2(5) . .
C85 C84 Fe5 C91 -82.4(4) . .
C88 C84 Fe5 C91 156.5(4) . .
C83 C84 Fe5 C91 33.9(6) . .
C85 C84 Fe5 C90 -123.3(3) . .
C88 C84 Fe5 C90 115.6(4) . .
C83 C84 Fe5 C90 -7.0(5) . .
C85 C84 Fe5 C92 -54.3(7) . .
C88 C84 Fe5 C92 -175.5(7) . .
C83 C84 Fe5 C92 62.0(8) . .
C88 C84 Fe5 C85 -121.16(17) . .
C83 C84 Fe5 C85 116.3(5) . .
C85 C84 Fe5 C89 -161.9(4) . .
C88 C84 Fe5 C89 77.0(4) . .
C83 C84 Fe5 C89 -45.6(5) . .
C85 C84 Fe5 C93 175.9(9) . .
C88 C84 Fe5 C93 54.7(9) . .
C83 C84 Fe5 C93 -67.8(11) . .
C84 C85 Fe5 C87 -81.95(19) . .
C86 C85 Fe5 C87 39.03(12) . .
C84 C85 Fe5 C88 -36.70(11) . .
C86 C85 Fe5 C88 84.3(2) . .
C84 C85 Fe5 C86 -120.98(18) . .
C84 C85 Fe5 C91 114.3(4) . .
C86 C85 Fe5 C91 -124.7(4) . .
C84 C85 Fe5 C90 74.0(4) . .
C86 C85 Fe5 C90 -165.1(4) . .
C84 C85 Fe5 C92 155.3(4) . .
C86 C85 Fe5 C92 -83.7(4) . .
C86 C85 Fe5 C84 120.98(17) . .
C84 C85 Fe5 C89 46.9(8) . .
C86 C85 Fe5 C89 167.8(9) . .
C84 C85 Fe5 C93 -176.6(8) . .
C86 C85 Fe5 C93 -55.6(8) . .
C87 Fe5 C89 C93 -83.6(4) . .
C88 Fe5 C89 C93 -127.7(3) . .
C86 Fe5 C89 C93 -46.4(9) . .
C91 Fe5 C89 C93 81.4(2) . .
C90 Fe5 C89 C93 119.14(17) . .
C92 Fe5 C89 C93 37.65(13) . .
C84 Fe5 C89 C93 -169.4(4) . .
C85 Fe5 C89 C93 156.2(9) . .
C87 Fe5 C89 C90 157.3(4) . .
C88 Fe5 C89 C90 113.2(3) . .
C86 Fe5 C89 C90 -165.6(10) . .
C91 Fe5 C89 C90 -37.69(13) . .
C92 Fe5 C89 C90 -81.5(2) . .
C84 Fe5 C89 C90 71.5(3) . .
C85 Fe5 C89 C90 37.0(8) . .
C93 Fe5 C89 C90 -119.14(17) . .
C93 C89 C90 C91 0.0 . .
Fe5 C89 C90 C91 59.5(3) . .
C93 C89 C90 Fe5 -59.5(3) . .
C87 Fe5 C90 C91 -169.8(9) . .
C88 Fe5 C90 C91 157.3(4) . .
C86 Fe5 C90 C91 46.0(9) . .
C92 Fe5 C90 C91 -38.11(12) . .
C84 Fe5 C90 C91 115.6(3) . .
C85 Fe5 C90 C91 75.9(3) . .
C89 Fe5 C90 C91 -118.72(17) . .
C93 Fe5 C90 C91 -81.55(19) . .
C87 Fe5 C90 C89 -51.1(8) . .
C88 Fe5 C90 C89 -84.0(3) . .
C86 Fe5 C90 C89 164.7(10) . .
C91 Fe5 C90 C89 118.72(18) . .
C92 Fe5 C90 C89 80.6(2) . .
C84 Fe5 C90 C89 -125.7(3) . .
C85 Fe5 C90 C89 -165.3(3) . .
C93 Fe5 C90 C89 37.17(12) . .
C89 C90 C91 C92 0.0 . .
Fe5 C90 C91 C92 60.7(3) . .
C89 C90 C91 Fe5 -60.7(3) . .
C87 Fe5 C91 C90 164.2(13) . .
C88 Fe5 C91 C90 -46.7(6) . .
C86 Fe5 C91 C90 -162.8(4) . .
C92 Fe5 C91 C90 118.08(16) . .
C84 Fe5 C91 C90 -80.5(2) . .
C85 Fe5 C91 C90 -121.9(3) . .
C89 Fe5 C91 C90 37.30(11) . .
C93 Fe5 C91 C90 80.26(16) . .
C87 Fe5 C91 C92 46.1(13) . .
C88 Fe5 C91 C92 -164.8(7) . .
C86 Fe5 C91 C92 79.1(4) . .
C90 Fe5 C91 C92 -118.08(16) . .
C84 Fe5 C91 C92 161.4(3) . .
C85 Fe5 C91 C92 120.0(3) . .
C89 Fe5 C91 C92 -80.8(2) . .
C93 Fe5 C91 C92 -37.82(12) . .
C90 C91 C92 C93 0.0 . .
Fe5 C91 C92 C93 61.4(3) . .
C90 C91 C92 Fe5 -61.4(3) . .
C87 Fe5 C92 C93 76.3(4) . .
C88 Fe5 C92 C93 33.3(12) . .
C86 Fe5 C92 C93 120.6(3) . .
C91 Fe5 C92 C93 -118.11(14) . .
C90 Fe5 C92 C93 -80.25(17) . .
C84 Fe5 C92 C93 -158.2(6) . .
C85 Fe5 C92 C93 164.1(3) . .
C89 Fe5 C92 C93 -37.26(12) . .
C87 Fe5 C92 C91 -165.5(5) . .
C88 Fe5 C92 C91 151.4(13) . .
C86 Fe5 C92 C91 -121.3(4) . .
C90 Fe5 C92 C91 37.86(13) . .
C84 Fe5 C92 C91 -40.1(5) . .
C85 Fe5 C92 C91 -77.8(3) . .
C89 Fe5 C92 C91 80.85(19) . .
C93 Fe5 C92 C91 118.11(15) . .
C91 C92 C93 C89 0.0 . .
Fe5 C92 C93 C89 60.6(3) . .
C91 C92 C93 Fe5 -60.6(3) . .
C90 C89 C93 C92 0.0 . .
Fe5 C89 C93 C92 -59.5(3) . .
C90 C89 C93 Fe5 59.5(3) . .
C87 Fe5 C93 C92 -125.0(4) . .
C88 Fe5 C93 C92 -169.8(4) . .
C86 Fe5 C93 C92 -79.5(4) . .
C91 Fe5 C93 C92 38.10(12) . .
C90 Fe5 C93 C92 81.6(2) . .
C84 Fe5 C93 C92 148.3(10) . .
C85 Fe5 C93 C92 -38.8(7) . .
C89 Fe5 C93 C92 118.77(18) . .
C87 Fe5 C93 C89 116.2(4) . .
C88 Fe5 C93 C89 71.4(4) . .
C86 Fe5 C93 C89 161.7(4) . .
C91 Fe5 C93 C89 -80.67(18) . .
C90 Fe5 C93 C89 -37.19(11) . .
C92 Fe5 C93 C89 -118.77(18) . .
C84 Fe5 C93 C89 29.5(9) . .
C85 Fe5 C93 C89 -157.5(8) . .
C82 N5 C94 O15 -9.9(10) . .
C82 N5 C94 C95 175.7(5) . .
O15 C94 C95 C96 144.5(6) . .
N5 C94 C95 C96 -41.3(8) . .
O15 C94 C95 C100 -34.5(9) . .
N5 C94 C95 C100 139.7(5) . .
C100 C95 C96 C97 0.0 . .
C94 C95 C96 C97 -179.0(5) . .
C95 C96 C97 C98 0.0 . .
C96 C97 C98 C99 0.0 . .
C97 C98 C99 C100 0.0 . .
C98 C99 C100 C95 0.0 . .
C96 C95 C100 C99 0.0 . .
C94 C95 C100 C99 178.9(5) . .
