#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:21:41 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180431 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/00/7210004.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_7210004
loop_
_publ_author_name
'Wang, Wei'
'Yang, Jin'
'Kan, Wei-Qiu'
'Ma, Jian-Fang'
_publ_section_title
;
 Three new inorganic--organic hybrid compounds constructed from two kinds
 of octamolybdate clusters and flexible multidentate N-donor ligand:
 syntheses, structures, electrochemistry, luminescence, and photocatalytic
 properties
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5844
_journal_paper_doi               10.1039/c3ce40626a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C120 H122 Mo16 N36 O81 S Zn6'
_chemical_formula_sum            'C120 H122 Mo16 N36 O81 S Zn6'
_chemical_formula_weight         5323.86
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.314(3)
_cell_angle_beta                 106.718(2)
_cell_angle_gamma                109.066(2)
_cell_formula_units_Z            1
_cell_length_a                   16.9940(3)
_cell_length_b                   18.9140(4)
_cell_length_c                   18.9480(8)
_cell_measurement_reflns_used    13055
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2563
_cell_measurement_theta_min      2.8473
_cell_volume                     4920.6(3)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0634
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32013
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    1.798
_exptl_absorpt_correction_T_max  0.7263
_exptl_absorpt_correction_T_min  0.6620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2610
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         7.718
_refine_diff_density_min         -3.055
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1415
_refine_ls_number_reflns         17292
_refine_ls_number_restraints     271
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0962
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1163P)²+45.2446P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1976
_refine_ls_wR_factor_ref         0.2232
_reflns_number_gt                13034
_reflns_number_total             17292
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3ce40626a.txt
_cod_data_source_block           compound-2
_cod_original_cell_volume        4920.6(2)
_cod_original_sg_symbol_H-M      'p -1'
_cod_database_code               7210004
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.94087(11) 0.78929(10) 0.14184(10) 0.0649(4) Uani 1 1 d .
Zn2 Zn 1.17716(14) 0.93525(13) 0.25885(15) 0.0964(7) Uani 1 1 d .
Zn3 Zn 0.58440(10) -0.16280(7) 0.19279(8) 0.0453(3) Uani 1 1 d .
Mo1 Mo 0.41913(5) -0.53756(5) 0.03582(5) 0.0278(2) Uani 1 1 d .
Mo2 Mo 0.45805(5) -0.08982(5) 0.40889(5) 0.0280(2) Uani 1 1 d .
Mo3 Mo 0.60326(6) -0.07041(5) 0.58011(5) 0.0318(2) Uani 1 1 d .
Mo4 Mo 0.46223(6) -0.36113(5) 0.00092(5) 0.0310(2) Uani 1 1 d .
Mo5 Mo 0.57664(6) 0.08928(5) 0.38823(5) 0.0330(2) Uani 1 1 d .
Mo6 Mo 0.28643(6) -0.70945(5) -0.14504(5) 0.0310(2) Uani 1 1 d .
Mo7 Mo 0.67002(6) -0.03035(5) 0.41276(5) 0.0343(2) Uani 1 1 d .
Mo8 Mo 0.69520(6) -0.46325(5) 0.15104(5) 0.0330(2) Uani 1 1 d .
C1 C 0.6620(7) 0.3847(6) 0.3986(7) 0.043(2) Uani 1 1 d .
C2 C 0.7165(8) 0.4158(7) 0.3624(7) 0.046(3) Uani 1 1 d .
C3 C 0.7895(10) 0.4947(9) 0.4077(8) 0.068(4) Uani 1 1 d .
C4 C 0.830(2) 0.5310(18) 0.4915(19) 0.047(7) Uani 0.50 1 d P
C4' C 0.798(2) 0.551(2) 0.491(2) 0.065(9) Uani 0.50 1 d P
C5 C 0.7623(12) 0.5061(10) 0.5281(9) 0.088(5) Uani 1 1 d .
C6 C 0.6832(9) 0.4311(7) 0.4811(8) 0.056(3) Uani 1 1 d .
C7 C 0.5797(8) 0.2993(7) 0.3484(7) 0.048(3) Uani 1 1 d .
C8 C 0.4341(9) 0.2403(8) 0.2365(8) 0.063(4) Uani 1 1 d .
C9 C 0.4017(12) 0.1622(9) 0.2354(10) 0.091(6) Uani 1 1 d .
C10 C 0.303(2) 0.103(2) 0.180(2) 0.074(8) Uani 0.50 1 d PU
C10' C 0.3283(19) 0.0913(17) 0.1623(16) 0.054(6) Uani 0.50 1 d PU
C11 C 0.252(3) 0.119(2) 0.117(2) 0.064(9) Uani 0.40 1 d PU
C11' C 0.2736(15) 0.1016(13) 0.0976(13) 0.049(5) Uani 0.60 1 d PU
C12 C 0.3059(9) 0.1866(8) 0.1074(7) 0.060(3) Uani 1 1 d .
C13 C 0.3852(8) 0.2525(7) 0.1728(7) 0.057(3) Uani 1 1 d .
H13 H 0.4063 0.3053 0.1745 0.069 Uiso 1 1 calc R
C14' C 0.178(2) 0.1695(19) -0.0117(19) 0.039(8) Uani 0.50 1 d PU
C14 C 0.171(2) 0.1900(19) 0.004(2) 0.050(8) Uani 0.50 1 d P
C15 C 0.3136(7) 0.2405(6) 0.0064(6) 0.041(2) Uani 1 1 d .
C16 C 0.6938(10) 0.3656(8) 0.2748(8) 0.059(3) Uani 1 1 d .
H16A H 0.6295 0.3470 0.2400 0.071 Uiso 1 1 calc R
H16B H 0.7321 0.3995 0.2569 0.071 Uiso 1 1 calc R
C17 C 0.6813(11) 0.2337(8) 0.1914(9) 0.066(4) Uani 1 1 d .
C18 C 0.6582(14) 0.2438(10) 0.1205(10) 0.086(5) Uani 1 1 d .
C20 C 0.606(3) 0.092(2) 0.031(2) 0.073(8) Uani 0.50 1 d PU
C20' C 0.649(2) 0.1042(18) 0.0455(17) 0.058(7) Uani 0.50 1 d PU
C21 C 0.6549(14) 0.0948(9) 0.1143(11) 0.087(5) Uani 1 1 d .
C22 C 0.6825(13) 0.1598(9) 0.1892(9) 0.082(5) Uani 1 1 d .
H22 H 0.7017 0.1545 0.2376 0.098 Uiso 1 1 calc R
C23 C 0.6157(12) -0.0239(8) 0.1501(9) 0.067(4) Uani 1 1 d .
C24' C 0.647(3) -0.048(2) 0.051(2) 0.088(9) Uani 0.50 1 d PU
C24 C 0.7209(19) -0.0117(17) 0.1051(17) 0.063(6) Uani 0.50 1 d PU
C25 C 0.8511(10) 0.5383(11) 0.3731(10) 0.084(5) Uani 1 1 d .
C26 C 1.0090(10) 0.5878(10) 0.4025(9) 0.073(4) Uani 1 1 d .
C27 C 1.0921(12) 0.5990(11) 0.4569(13) 0.102(6) Uani 1 1 d .
H27 H 1.0941 0.5670 0.4854 0.123 Uiso 1 1 calc R
C28 C 1.1744(11) 0.6624(12) 0.4665(12) 0.096(6) Uani 1 1 d .
H28 H 1.2315 0.6721 0.5026 0.116 Uiso 1 1 calc R
C29 C 1.1722(10) 0.7092(10) 0.4247(10) 0.081(5) Uani 1 1 d .
H29 H 1.2264 0.7498 0.4314 0.098 Uiso 1 1 calc R
C30 C 1.0881(9) 0.6946(9) 0.3730(8) 0.068(4) Uani 1 1 d .
C31 C 1.0063(9) 0.6366(9) 0.3631(8) 0.065(4) Uani 1 1 d .
H31 H 0.9500 0.6308 0.3299 0.077 Uiso 1 1 calc R
C32 C 1.0114(9) 0.7242(10) 0.2613(9) 0.072(4) Uani 1 1 d .
C33 C 1.1556(9) 0.8128(9) 0.3398(11) 0.087(5) Uani 1 1 d .
H33 H 1.2157 0.8394 0.3811 0.105 Uiso 1 1 calc R
C35 C 0.9946(16) 0.7619(11) 0.5972(12) 0.104(6) Uani 1 1 d .
C36 C 1.0792(17) 0.7789(13) 0.5982(12) 0.116(7) Uani 1 1 d .
H36 H 1.0933 0.7354 0.5780 0.140 Uiso 1 1 calc R
C37 C 1.1460(14) 0.8633(12) 0.6302(11) 0.095(5) Uani 1 1 d U
H37 H 1.2049 0.8763 0.6331 0.114 Uiso 1 1 calc R
C38 C 1.1196(11) 0.9281(14) 0.6581(11) 0.104(6) Uani 1 1 d .
H38 H 1.1597 0.9841 0.6770 0.125 Uiso 1 1 calc R
C39 C 1.0355(13) 0.9050(10) 0.6560(11) 0.089(5) Uani 1 1 d .
C40 C 0.9701(13) 0.8243(9) 0.6253(11) 0.097(6) Uani 1 1 d .
H40 H 0.9116 0.8120 0.6233 0.116 Uiso 1 1 calc R
C43 C 0.7944(18) 0.5574(12) 0.6230(11) 0.124(8) Uani 1 1 d .
H43A H 0.8509 0.6091 0.6465 0.148 Uiso 1 1 calc R
H43B H 0.7470 0.5709 0.6329 0.148 Uiso 1 1 calc R
C44 C 0.797(2) 0.5122(16) 0.7299(14) 0.142(10) Uani 1 1 d .
C45 C 0.788(2) 0.5798(14) 0.7761(14) 0.154(11) Uani 1 1 d .
H45 H 0.7924 0.6221 0.7600 0.185 Uiso 1 1 calc R
C46 C 0.771(2) 0.587(2) 0.844(2) 0.190(11) Uani 1 1 d U
H46 H 0.7683 0.6330 0.8767 0.228 Uiso 1 1 calc R
C47 C 0.758(2) 0.509(2) 0.860(2) 0.178(11) Uani 1 1 d U
H47 H 0.7484 0.5080 0.9053 0.214 Uiso 1 1 calc R
C48 C 0.7606(18) 0.4393(14) 0.8065(13) 0.113(7) Uani 1 1 d .
C49 C 0.7773(17) 0.4399(14) 0.7410(13) 0.120(7) Uani 1 1 d .
H49 H 0.7754 0.3928 0.7038 0.144 Uiso 1 1 calc R
C50 C 0.6900(18) 0.3393(17) 0.8546(15) 0.128(8) Uani 1 1 d .
H50 H 0.6559 0.3638 0.8730 0.153 Uiso 1 1 calc R
C51 C 0.7813(19) 0.3167(16) 0.8027(17) 0.132(8) Uani 1 1 d .
H51 H 0.8230 0.3206 0.7796 0.159 Uiso 1 1 calc R
C55 C 0.4768(8) 0.3759(6) 0.6604(6) 0.043(2) Uani 1 1 d .
C56 C 0.5209(9) 0.3788(7) 0.6108(7) 0.049(3) Uani 1 1 d .
H56 H 0.5360 0.3363 0.5894 0.059 Uiso 1 1 calc R
C57 C 0.5426(10) 0.4463(7) 0.5930(8) 0.059(3) Uani 1 1 d .
C58 C 0.5198(10) 0.5079(8) 0.6255(9) 0.065(4) Uani 1 1 d .
H58 H 0.5353 0.5537 0.6141 0.078 Uiso 1 1 calc R
C65 C 0.6222(10) 0.3997(8) 0.5204(9) 0.063(4) Uani 1 1 d .
H65A H 0.5718 0.3445 0.4810 0.076 Uiso 1 1 calc R
H65B H 0.6579 0.3956 0.5678 0.076 Uiso 1 1 calc R
C66 C 0.4745(11) 0.5036(8) 0.6744(9) 0.067(4) Uani 1 1 d .
H66 H 0.4594 0.5461 0.6955 0.081 Uiso 1 1 calc R
C67 C 0.4512(9) 0.4364(7) 0.6927(8) 0.055(3) Uani 1 1 d .
H67 H 0.4197 0.4321 0.7253 0.066 Uiso 1 1 calc R
C68 C 0.4083(9) 0.2227(6) 0.6150(7) 0.047(3) Uani 1 1 d .
H68 H 0.3938 0.2070 0.5594 0.056 Uiso 1 1 calc R
C69 C 0.4572(9) 0.2974(7) 0.7435(7) 0.051(3) Uani 1 1 d .
H69 H 0.4825 0.3430 0.7948 0.061 Uiso 1 1 calc R
N1 N 0.259(4) 0.196(3) 0.034(3) 0.075(18) Uani 0.50 1 d P
N1' N 0.267(3) 0.201(3) 0.041(3) 0.030(8) Uani 0.50 1 d PU
N2 N 0.1704(6) 0.2042(7) -0.0619(6) 0.056(3) Uani 1 1 d .
N3 N 0.2564(5) 0.2432(5) -0.0548(5) 0.0366(19) Uani 1 1 d .
N4 N 0.6760(15) 0.0276(12) 0.1277(14) 0.036(4) Uani 0.50 1 d P
N4' N 0.6334(15) 0.0089(14) 0.1032(13) 0.041(6) Uani 0.50 1 d PU
N5 N 0.6298(8) -0.0884(6) 0.1416(6) 0.059(3) Uani 1 1 d .
N6' N 0.640(2) -0.1077(18) 0.0705(17) 0.081(7) Uani 0.50 1 d PU
N6 N 0.7108(16) -0.0760(12) 0.1226(16) 0.058(6) Uani 0.50 1 d P
N7 N 1.0846(7) 0.7424(7) 0.3276(7) 0.071(3) Uani 1 1 d .
N8 N 1.1253(8) 0.8369(8) 0.2839(9) 0.086(4) Uani 1 1 d .
N9' N 1.0351(10) 0.7750(9) 0.2301(9) 0.021(3) Uani 0.50 1 d PU
N9 N 1.029(3) 0.791(3) 0.255(2) 0.113(12) Uani 0.50 1 d PU
N13 N 0.7453(12) 0.3724(11) 0.8226(12) 0.114(5) Uani 1 1 d .
N14 N 0.6874(14) 0.2703(11) 0.8581(13) 0.124(6) Uani 1 1 d .
N15 N 0.7445(15) 0.2561(14) 0.8231(13) 0.136(7) Uani 1 1 d .
N16 N 0.4477(7) 0.3019(5) 0.6732(5) 0.042(2) Uani 1 1 d .
N17 N 0.4253(7) 0.2186(5) 0.7294(5) 0.044(2) Uani 1 1 d .
N18 N 0.3930(6) 0.1706(5) 0.6468(5) 0.042(2) Uani 1 1 d .
O1' O 0.496(3) 0.316(3) 0.317(3) 0.048(12) Uani 0.25 1 d PU
O1'' O 0.527(2) 0.3074(18) 0.2858(18) 0.030(7) Uani 0.25 1 d PU
O1 O 0.5061(16) 0.3106(14) 0.3005(14) 0.037(6) Uani 0.50 1 d PU
O2 O 0.7101(8) 0.2957(6) 0.2686(6) 0.078(3) Uani 1 1 d .
O1W O 0.4751(6) -0.1338(5) 0.1896(4) 0.054(2) Uani 1 1 d .
O3 O 0.936(4) 0.517(3) 0.388(3) 0.065(10) Uani 0.50 1 d P
O3' O 0.931(3) 0.541(2) 0.407(3) 0.065(10) Uani 0.50 1 d P
O2W O 1.2460(14) 0.8954(10) 0.2001(9) 0.158(7) Uani 1 1 d .
O3W O 0.8829(7) 0.6593(6) 0.0679(6) 0.083(3) Uani 1 1 d .
O5 O 0.8097(15) 0.5033(12) 0.6575(10) 0.162(7) Uani 1 1 d .
O6 O 0.5871(8) 0.4551(6) 0.5451(6) 0.076(3) Uani 1 1 d .
O7 O 0.3957(5) -0.5746(4) 0.1018(4) 0.0385(15) Uani 1 1 d .
O8 O 0.3029(4) -0.5900(4) -0.0575(4) 0.0315(14) Uani 1 1 d .
O9 O 0.4365(5) -0.4338(4) 0.0783(4) 0.0350(15) Uani 1 1 d .
O10 O 0.5471(4) -0.5156(4) 0.0615(4) 0.0311(14) Uani 1 1 d .
O11 O 0.4142(4) -0.6477(4) -0.0471(4) 0.0312(14) Uani 1 1 d .
O12 O 0.1677(5) -0.7493(4) -0.1858(4) 0.0424(17) Uani 1 1 d .
O13 O 0.3088(5) -0.7905(4) -0.1891(4) 0.0391(16) Uani 1 1 d .
O14 O 0.8125(5) -0.4208(5) 0.1930(5) 0.0484(18) Uani 1 1 d .
O15 O 0.3341(4) -0.4331(4) -0.0608(4) 0.0363(15) Uani 1 1 d .
O16 O 0.4807(5) -0.2768(4) 0.0855(4) 0.0447(17) Uani 1 1 d .
O17 O 0.4779(5) -0.3233(4) -0.0666(4) 0.0421(16) Uani 1 1 d .
O18 O 0.6726(5) -0.0506(4) 0.3173(5) 0.0463(18) Uani 1 1 d .
O19 O 0.6200(5) 0.1936(4) 0.4435(5) 0.0447(17) Uani 1 1 d .
O20 O 0.5917(6) 0.0772(5) 0.3007(5) 0.0507(19) Uani 1 1 d .
O21 O 0.6831(5) 0.0775(4) 0.4510(4) 0.0377(15) Uani 1 1 d .
O22 O 0.5232(5) -0.0512(4) 0.3522(4) 0.0334(14) Uani 1 1 d .
O23 O 0.7725(5) -0.0170(5) 0.4756(5) 0.0533(19) Uani 1 1 d .
O24 O 0.3616(4) -0.0737(4) 0.3753(4) 0.0362(15) Uani 1 1 d .
O25 O 0.4768(4) -0.0638(4) 0.5221(4) 0.0300(13) Uani 1 1 d .
O26 O 0.4167(5) -0.1958(4) 0.3619(4) 0.0419(17) Uani 1 1 d .
O27 O 0.6008(4) -0.0618(4) 0.4792(4) 0.0305(14) Uani 1 1 d .
O28 O 0.5551(5) -0.0569(4) 0.6593(4) 0.0349(15) Uani 1 1 d .
O29 O 0.5638(5) -0.1761(4) 0.5401(4) 0.0420(17) Uani 1 1 d .
O30 O 0.7203(5) -0.0304(5) 0.6414(5) 0.0476(18) Uani 1 1 d .
O31 O 0.3187(4) -0.6410(4) -0.1940(4) 0.0324(14) Uani 1 1 d .
O32 O 0.6646(5) -0.5007(4) 0.2148(4) 0.0444(17) Uani 1 1 d .
O33 O 1.1368(15) 0.9640(14) 0.1662(13) 0.087(6) Uani 0.50 1 d PU
O34 O 1.0270(11) 0.8184(10) 0.0899(10) 0.055(4) Uani 0.50 1 d PU
O35 O 1.1404(18) 0.8741(16) 0.0452(15) 0.103(7) Uani 0.50 1 d PU
O36 O 1.027(2) 0.9260(19) 0.0366(19) 0.129(9) Uani 0.50 1 d PU
S1 S 1.0789(6) 0.8924(5) 0.0791(5) 0.079(2) Uani 0.50 1 d PU
O6W O 0.687(5) -0.302(5) 0.565(5) 0.175(18) Uani 0.30 1 d PU
O7W O 0.059(5) -0.849(5) -0.418(4) 0.236(18) Uani 0.40 1 d PU
O8W O 0.126(6) -0.773(5) -0.402(4) 0.175(17) Uani 0.30 1 d PU
O9W O 0.214(5) -0.743(4) -0.397(4) 0.160(16) Uani 0.30 1 d PU
O10W O 0.804(5) 0.812(4) 0.696(4) 0.229(18) Uani 0.40 1 d PU
O11W O 0.685(4) 0.727(4) 0.615(3) 0.118(13) Uani 0.30 1 d PU
O12W O 0.924(5) 0.916(4) 0.812(4) 0.183(17) Uani 0.30 1 d PU
O13W O 0.843(5) -0.172(5) 0.406(4) 0.208(17) Uani 0.40 1 d PU
O14W O 0.829(5) -0.148(5) 0.484(5) 0.177(17) Uani 0.30 1 d PU
O15W O 0.899(6) -0.096(6) 0.481(5) 0.170(18) Uani 0.25 1 d PU
N10 N 1.0134(8) 0.9720(7) 0.6914(7) 0.089(4) Uani 1 1 d GU
C41 C 1.0743(8) 1.0526(8) 0.7564(9) 0.089(16) Uani 0.50 1 d PGU
N11 N 1.0219(8) 1.0937(7) 0.7737(7) 0.094(4) Uani 1 1 d GDU
N12 N 0.9285(6) 1.0385(7) 0.7194(8) 0.099(5) Uani 1 1 d GD
C42 C 0.9233(7) 0.9633(7) 0.6685(7) 0.101(6) Uani 1 1 d G
H42 H 0.8696 0.9160 0.6269 0.121 Uiso 1 1 calc R
C41B C 1.095(4) 1.068(4) 0.731(4) 0.051(12) Uani 0.20 1 d PU
C41A C 1.062(2) 1.0481(16) 0.7510(16) 0.014(7) Uani 0.30 1 d PU
C19 C 0.608(3) 0.165(2) 0.035(2) 0.075(9) Uani 0.50 1 d PU
C19' C 0.650(2) 0.184(2) 0.050(2) 0.068(8) Uani 0.50 1 d PU
O4 O 0.912(2) 0.6819(18) 0.5728(18) 0.091(8) Uani 0.50 1 d PU
C34 C 0.9237(19) 0.6062(15) 0.5458(19) 0.087(8) Uani 0.60 1 d P
C34' C 0.856(4) 0.655(3) 0.536(3) 0.091(15) Uani 0.40 1 d P
O4' O 0.948(2) 0.673(2) 0.5581(19) 0.108(8) Uani 0.50 1 d PU
O4W O 0.731(5) 0.790(5) 0.631(4) 0.132(16) Uani 0.25 1 d PU
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O34 Zn1 N11 100(2) . 2_776
O34 Zn1 O3W 93.7(5) . .
N11 Zn1 O3W 167(2) 2_776 .
O34 Zn1 N9' 93.2(6) . .
N11 Zn1 N9' 91(2) 2_776 .
O3W Zn1 N9' 87.0(5) . .
O34 Zn1 N2 97.0(5) . 2_665
N11 Zn1 N2 88(2) 2_776 2_665
O3W Zn1 N2 91.3(4) . 2_665
N9' Zn1 N2 169.7(5) . 2_665
O34 Zn1 N9 103.3(12) . .
N11 Zn1 N9 80(2) 2_776 .
O3W Zn1 N9 95.9(11) . .
N9' Zn1 N9 14.0(10) . .
N2 Zn1 N9 157.9(11) 2_665 .
O34 Zn1 O12 173.8(5) . 2_655
N11 Zn1 O12 84(2) 2_776 2_655
O3W Zn1 O12 82.8(3) . 2_655
N9' Zn1 O12 91.8(5) . 2_655
N2 Zn1 O12 77.9(3) 2_665 2_655
N9 Zn1 O12 82.3(11) . 2_655
O30 Zn2 O2W 100.1(6) 2_766 .
O30 Zn2 O33 113.0(7) 2_766 .
O2W Zn2 O33 82.6(8) . .
O30 Zn2 N8 109.6(4) 2_766 .
O2W Zn2 N8 99.1(7) . .
O33 Zn2 N8 136.3(7) . .
O30 Zn2 N12 96(2) 2_766 2_776
O2W Zn2 N12 161(2) . 2_776
O33 Zn2 N12 82.1(18) . 2_776
N8 Zn2 N12 84.4(18) . 2_776
N5 Zn3 N17 164.2(4) . 2_656
N5 Zn3 O1W 92.7(4) . .
N17 Zn3 O1W 96.1(3) 2_656 .
N5 Zn3 O16 101.5(4) . .
N17 Zn3 O16 92.3(3) 2_656 .
O1W Zn3 O16 84.7(3) . .
N5 Zn3 O18 88.4(3) . .
N17 Zn3 O18 78.9(3) 2_656 .
O1W Zn3 O18 87.8(3) . .
O16 Zn3 O18 167.8(3) . .
N5 Zn3 O13 91.2(4) . 2_645
N17 Zn3 O13 81.2(3) 2_656 2_645
O1W Zn3 O13 173.7(3) . 2_645
O16 Zn3 O13 89.6(3) . 2_645
O18 Zn3 O13 97.3(3) . 2_645
O7 Mo1 O9 105.0(3) . .
O7 Mo1 O8 104.4(3) . .
O9 Mo1 O8 101.1(3) . .
O7 Mo1 O10 103.6(3) . .
O9 Mo1 O10 99.0(3) . .
O8 Mo1 O10 139.6(3) . .
O7 Mo1 O11 97.0(3) . .
O9 Mo1 O11 157.9(3) . .
O8 Mo1 O11 75.0(2) . .
O10 Mo1 O11 73.4(2) . .
O7 Mo1 O10 179.6(3) . 2_645
O9 Mo1 O10 75.4(2) . 2_645
O8 Mo1 O10 75.3(2) . 2_645
O10 Mo1 O10 76.4(3) . 2_645
O11 Mo1 O10 82.7(2) . 2_645
O26 Mo2 O24 104.8(3) . .
O26 Mo2 O22 104.4(3) . .
O24 Mo2 O22 102.0(3) . .
O26 Mo2 O25 103.9(3) . .
O24 Mo2 O25 99.3(3) . .
O22 Mo2 O25 138.6(3) . .
O26 Mo2 O27 95.6(3) . .
O24 Mo2 O27 159.4(3) . .
O22 Mo2 O27 75.0(3) . .
O25 Mo2 O27 72.7(2) . .
O26 Mo2 O25 178.0(3) . 2_656
O24 Mo2 O25 77.1(3) . 2_656
O22 Mo2 O25 74.6(2) . 2_656
O25 Mo2 O25 76.2(2) . 2_656
O27 Mo2 O25 82.5(2) . 2_656
O29 Mo3 O30 103.6(4) . .
O29 Mo3 O28 98.3(3) . .
O30 Mo3 O28 102.1(3) . .
O29 Mo3 O27 96.5(3) . .
O30 Mo3 O27 103.2(3) . .
O28 Mo3 O27 146.7(3) . .
O29 Mo3 O25 100.8(3) . .
O30 Mo3 O25 155.6(3) . .
O28 Mo3 O25 75.2(2) . .
O27 Mo3 O25 72.7(2) . .
O29 Mo3 O24 172.4(3) . 2_656
O30 Mo3 O24 84.0(3) . 2_656
O28 Mo3 O24 80.6(3) . 2_656
O27 Mo3 O24 80.9(2) . 2_656
O25 Mo3 O24 71.6(2) . 2_656
O29 Mo3 Mo5 90.3(3) . 2_656
O30 Mo3 Mo5 135.9(3) . 2_656
O28 Mo3 Mo5 33.9(2) . 2_656
O27 Mo3 Mo5 116.81(19) . 2_656
O25 Mo3 Mo5 44.42(16) . 2_656
O24 Mo3 Mo5 84.60(17) 2_656 2_656
O17 Mo4 O16 105.1(4) . .
O17 Mo4 O15 97.7(3) . .
O16 Mo4 O15 109.2(3) . .
O17 Mo4 O11 96.4(3) . 2_645
O16 Mo4 O11 96.0(3) . 2_645
O15 Mo4 O11 146.6(3) . 2_645
O17 Mo4 O10 99.3(3) . 2_645
O16 Mo4 O10 154.0(3) . 2_645
O15 Mo4 O10 75.7(2) . 2_645
O11 Mo4 O10 72.2(2) 2_645 2_645
O17 Mo4 O9 170.7(3) . .
O16 Mo4 O9 84.1(3) . .
O15 Mo4 O9 79.1(3) . .
O11 Mo4 O9 82.1(2) 2_645 .
O10 Mo4 O9 71.6(2) 2_645 .
O17 Mo4 Mo8 89.4(2) . 2_645
O16 Mo4 Mo8 142.9(3) . 2_645
O15 Mo4 Mo8 34.0(2) . 2_645
O11 Mo4 Mo8 116.50(17) 2_645 2_645
O10 Mo4 Mo8 44.60(16) 2_645 2_645
O9 Mo4 Mo8 83.16(15) . 2_645
O19 Mo5 O20 104.8(4) . .
O19 Mo5 O28 100.3(3) . 2_656
O20 Mo5 O28 97.6(3) . 2_656
O19 Mo5 O21 97.5(3) . .
O20 Mo5 O21 99.5(3) . .
O28 Mo5 O21 151.3(3) 2_656 .
O19 Mo5 O25 91.8(3) . 2_656
O20 Mo5 O25 162.2(3) . 2_656
O28 Mo5 O25 72.6(2) 2_656 2_656
O21 Mo5 O25 84.5(3) . 2_656
O19 Mo5 O22 162.2(3) . .
O20 Mo5 O22 92.3(3) . .
O28 Mo5 O22 82.4(3) 2_656 .
O21 Mo5 O22 74.1(2) . .
O25 Mo5 O22 72.0(2) 2_656 .
O19 Mo5 Mo3 87.2(3) . 2_656
O20 Mo5 Mo3 130.3(3) . 2_656
O28 Mo5 Mo3 32.81(18) 2_656 2_656
O21 Mo5 Mo3 127.11(19) . 2_656
O25 Mo5 Mo3 42.64(16) 2_656 2_656
O22 Mo5 Mo3 85.82(17) . 2_656
O13 Mo6 O12 106.7(3) . .
O13 Mo6 O31 103.9(3) . .
O12 Mo6 O31 102.7(3) . .
O13 Mo6 O11 90.8(3) . .
O12 Mo6 O11 151.6(3) . .
O31 Mo6 O11 94.2(3) . .
O13 Mo6 O8 161.4(3) . .
O12 Mo6 O8 90.4(3) . .
O31 Mo6 O8 78.5(2) . .
O11 Mo6 O8 70.6(2) . .
O13 Mo6 N3 91.6(3) . 1_545
O12 Mo6 N3 79.2(3) . 1_545
O31 Mo6 N3 162.9(3) . 1_545
O11 Mo6 N3 78.2(3) . 1_545
O8 Mo6 N3 84.5(3) . 1_545
O13 Mo6 Mo8 138.7(2) . 2_645
O12 Mo6 Mo8 90.0(2) . 2_645
O31 Mo6 Mo8 34.84(19) . 2_645
O11 Mo6 Mo8 91.00(17) . 2_645
O8 Mo6 Mo8 45.58(16) . 2_645
N3 Mo6 Mo8 129.0(2) 1_545 2_645
O23 Mo7 O18 105.4(4) . .
O23 Mo7 O21 102.5(3) . .
O18 Mo7 O21 103.1(3) . .
O23 Mo7 O27 96.1(3) . .
O18 Mo7 O27 148.8(3) . .
O21 Mo7 O27 93.7(3) . .
O23 Mo7 N18 94.0(4) . 2_656
O18 Mo7 N18 79.3(3) . 2_656
O21 Mo7 N18 161.9(3) . 2_656
O27 Mo7 N18 77.0(3) . 2_656
O23 Mo7 O22 166.5(3) . .
O18 Mo7 O22 87.6(3) . .
O21 Mo7 O22 77.3(3) . .
O27 Mo7 O22 70.5(2) . .
N18 Mo7 O22 84.9(3) 2_656 .
O32 Mo8 O14 105.0(4) . .
O32 Mo8 O15 100.2(3) . 2_645
O14 Mo8 O15 98.8(3) . 2_645
O32 Mo8 O31 96.3(3) . 2_645
O14 Mo8 O31 99.7(3) . 2_645
O15 Mo8 O31 151.0(3) 2_645 2_645
O32 Mo8 O10 92.6(3) . .
O14 Mo8 O10 161.8(3) . .
O15 Mo8 O10 73.2(2) 2_645 .
O31 Mo8 O10 82.5(2) 2_645 .
O32 Mo8 O8 163.4(3) . 2_645
O14 Mo8 O8 89.9(3) . 2_645
O15 Mo8 O8 84.4(2) 2_645 2_645
O31 Mo8 O8 73.5(2) 2_645 2_645
O10 Mo8 O8 73.3(2) . 2_645
O32 Mo8 Mo4 87.9(2) . 2_645
O14 Mo8 Mo4 131.5(3) . 2_645
O15 Mo8 Mo4 32.84(19) 2_645 2_645
O31 Mo8 Mo4 125.58(19) 2_645 2_645
O10 Mo8 Mo4 43.07(15) . 2_645
O8 Mo8 Mo4 87.57(15) 2_645 2_645
O32 Mo8 Mo6 128.1(3) . 2_645
O14 Mo8 Mo6 88.4(3) . 2_645
O15 Mo8 Mo6 127.47(19) 2_645 2_645
O31 Mo8 Mo6 31.84(17) 2_645 2_645
O10 Mo8 Mo6 84.16(15) . 2_645
O8 Mo8 Mo6 43.41(15) 2_645 2_645
Mo4 Mo8 Mo6 120.04(3) 2_645 2_645
C2 C1 C6 121.0(10) . .
C2 C1 C7 119.5(10) . .
C6 C1 C7 119.5(10) . .
C3 C2 C1 119.1(11) . .
C3 C2 C16 120.3(11) . .
C1 C2 C16 120.6(11) . .
C4 C3 C2 121.3(17) . .
C2 C3 C4' 118.5(15) . .
C4 C3 C25 112.0(17) . .
C2 C3 C25 124.1(13) . .
C4' C3 C25 116.0(16) . .
C4' C4 C3 88(5) . .
C4' C4 C34 102(4) . .
C3 C4 C34 125(3) . .
C4' C4 C5 63(4) . .
C3 C4 C5 113(2) . .
C34 C4 C5 120(2) . .
C4 C4' C5 87(5) . .
C4 C4' C3 63(4) . .
C5 C4' C3 112(2) . .
C4 C4' C34' 112(5) . .
C5 C4' C34' 123(3) . .
C3 C4' C34' 124(3) . .
C4 C4' C34 54(4) . .
C5 C4' C34 110(3) . .
C3 C4' C34 98(2) . .
C34' C4' C34 58(2) . .
C6 C5 C4' 119.8(19) . .
C6 C5 C4 118.8(16) . .
C6 C5 C43 121.4(14) . .
C4' C5 C43 116(2) . .
C4 C5 C43 118.6(18) . .
C5 C6 C1 119.0(12) . .
C5 C6 C65 119.4(12) . .
C1 C6 C65 121.7(11) . .
O1'' C7 C1 102.9(15) . .
O1 C7 C1 106.1(11) . .
C1 C7 O1' 105.0(18) . .
O1 C8 C13 114.5(13) . .
O1 C8 C9 124.7(14) . .
C13 C8 C9 120.4(12) . .
C13 C8 O1'' 111.6(15) . .
C9 C8 O1'' 125.9(16) . .
C13 C8 O1' 116(2) . .
C9 C8 O1' 119(2) . .
C8 C9 C10' 119.7(15) . .
C8 C9 C10 116.4(18) . .
C10' C10 C11 98(5) . .
C10' C10 C9 72(4) . .
C11 C10 C9 120(3) . .
C10' C10 C11' 71(4) . .
C9 C10 C11' 113(2) . .
C10 C10' C11' 82(4) . .
C10 C10' C9 81(4) . .
C11' C10' C9 121(2) . .
C10 C10' C11 59(4) . .
C9 C10' C11 109(2) . .
C11' C11 C12 80(4) . .
C11' C11 C10 80(4) . .
C12 C11 C10 114(3) . .
C11' C11 C10' 57(4) . .
C12 C11 C10' 103(2) . .
C11 C11' C10' 100(4) . .
C11 C11' C12 72(4) . .
C10' C11' C12 115.3(18) . .
C11 C11' C10 73(4) . .
C12 C11' C10 109.3(19) . .
C13 C12 N1' 116(2) . .
C13 C12 C11 120.9(18) . .
N1' C12 C11 120(3) . .
C13 C12 C11' 122.9(12) . .
N1' C12 C11' 120(2) . .
C13 C12 N1 120(2) . .
C11 C12 N1 116(3) . .
C11' C12 N1 116(2) . .
C12 C13 C8 119.8(11) . .
N1 C14' N2 111(4) . .
N2 C14' N1' 111(3) . .
N2 C14 N1 100(3) . .
N2 C14 N1' 101(3) . .
N3 C15 N1' 110(2) . .
N3 C15 N1 105(3) . .
O2 C16 C2 108.3(10) . .
O2 C17 C18 123.7(11) . .
O2 C17 C22 115.4(12) . .
C18 C17 C22 120.8(13) . .
C17 C18 C19' 117.4(17) . .
C17 C18 C19 118.9(17) . .
C20' C20 C19 97(6) . .
C20' C20 C19' 73(5) . .
C20' C20 C21 62(5) . .
C19 C20 C21 114(3) . .
C19' C20 C21 102(2) . .
C20 C20' C21 95(5) . .
C20 C20' C19' 83(5) . .
C21 C20' C19' 114(2) . .
C20 C20' C19 60(5) . .
C21 C20' C19 113(2) . .
C20' C21 C22 123.4(16) . .
C20' C21 N4' 114.1(18) . .
C22 C21 N4' 122.4(14) . .
C20' C21 N4 121.4(18) . .
C22 C21 N4 109.6(15) . .
C22 C21 C20 124.1(17) . .
N4' C21 C20 109.2(19) . .
N4 C21 C20 126.3(19) . .
C21 C22 C17 118.9(13) . .
N4' C23 N5 115.2(15) . .
N5 C23 N4 108.3(13) . .
C24 C24' N6' 85(3) . .
C24 C24' N4' 82(3) . .
N6' C24' N4' 110(3) . .
C24 C24' N4 57(2) . .
N6' C24' N4 107(3) . .
C24 C24' N6 47(2) . .
N4' C24' N6 100(2) . .
N4 C24' N6 83(2) . .
C24' C24 N4 74(3) . .
C24' C24 N6 93(3) . .
N4 C24 N6 114(2) . .
C24' C24 N6' 50(2) . .
N4 C24 N6' 97(2) . .
C24' C24 N4' 54(2) . .
N6 C24 N4' 109(2) . .
N6' C24 N4' 81.2(18) . .
O3' C25 C3 106.7(19) . .
C3 C25 O3 108(2) . .
C31 C26 O3' 120(2) . .
C31 C26 O3 127(3) . .
C31 C26 C27 121.7(14) . .
O3' C26 C27 116(2) . .
O3 C26 C27 111(2) . .
C26 C27 C28 116.2(15) . .
C29 C28 C27 122.3(14) . .
C30 C29 C28 117.8(14) . .
C29 C30 C31 122.7(14) . .
C29 C30 N7 118.5(12) . .
C31 C30 N7 118.8(12) . .
C26 C31 C30 119.1(13) . .
N9 C32 N7 105(2) . .
N9' C32 N7 110.0(12) . .
N8 C33 N7 109.3(12) . .
C36 C35 C40 122.1(18) . .
C36 C35 O4' 103(2) . .
C40 C35 O4' 135(2) . .
C36 C35 O4 133(2) . .
C40 C35 O4 104(2) . .
C35 C36 C37 120(2) . .
C36 C37 C38 118(2) . .
C39 C38 C37 118(2) . .
C38 C39 C40 125.4(19) . .
C38 C39 N10 116.7(17) . .
C40 C39 N10 117.9(17) . .
C39 C40 C35 117.0(19) . .
O5 C43 C5 104.6(17) . .
C45 C44 C49 123(2) . .
C45 C44 O5 123(2) . .
C49 C44 O5 113(2) . .
C46 C45 C44 123(3) . .
C45 C46 C47 113(3) . .
C48 C47 C46 121(3) . .
C49 C48 N13 122(2) . .
C49 C48 C47 120(2) . .
N13 C48 C47 118(2) . .
C48 C49 C44 119(2) . .
N14 C50 N13 116(2) . .
N15 C51 N13 107(2) . .
C56 C55 C67 123.3(10) . .
C56 C55 N16 118.1(9) . .
C67 C55 N16 118.4(10) . .
C55 C56 C57 118.5(10) . .
O6 C57 C58 117.7(11) . .
O6 C57 C56 122.8(11) . .
C58 C57 C56 119.5(11) . .
C57 C58 C66 121.3(11) . .
O6 C65 C6 109.2(10) . .
C58 C66 C67 120.5(11) . .
C55 C67 C66 116.9(12) . .
N18 C68 N16 110.8(9) . .
N17 C69 N16 109.6(9) . .
C14' N1 C15 109(4) . .
C14 N1 C15 111(4) . .
C14' N1 C12 134(4) . .
C14 N1 C12 129(4) . .
C15 N1 C12 117(4) . .
C14' N1' C15 103(4) . .
C14' N1' C12 130(4) . .
C15 N1' C12 126(3) . .
C15 N1' C14 106(3) . .
C12 N1' C14 127(3) . .
C14' N2 N3 105.6(16) . .
N3 N2 C14 112.0(14) . .
C14' N2 Zn1 134.6(15) . 2_665
N3 N2 Zn1 119.8(6) . 2_665
C14 N2 Zn1 124.2(14) . 2_665
C15 N3 N2 107.7(8) . .
C15 N3 Mo6 128.6(7) . 1_565
N2 N3 Mo6 123.4(6) . 1_565
N4' N4 C24 113(4) . .
N4' N4 C23 64(3) . .
C24 N4 C23 105.6(18) . .
N4' N4 C24' 65(3) . .
C24 N4 C24' 48.9(18) . .
C23 N4 C24' 89.4(19) . .
N4' N4 C21 75(3) . .
C24 N4 C21 135.6(18) . .
C23 N4 C21 116.2(15) . .
C24' N4 C21 115(2) . .
N4 N4' C23 90(3) . .
N4 N4' C24' 90(4) . .
C23 N4' C24' 103(2) . .
N4 N4' C21 80(3) . .
C23 N4' C21 128.9(19) . .
C24' N4' C21 127(2) . .
N4 N4' C24 46(3) . .
C23 N4' C24 94.7(18) . .
C21 N4' C24 112.0(18) . .
C23 N5 N6' 102.2(15) . .
C23 N5 N6 108.1(11) . .
N6' N5 N6 46.2(14) . .
C23 N5 Zn3 121.8(8) . .
N6' N5 Zn3 130.1(13) . .
N6 N5 Zn3 125.5(10) . .
N6 N6' C24' 98(3) . .
N6 N6' N5 72.9(19) . .
C24' N6' N5 109(3) . .
N6 N6' C24 53.3(18) . .
C24' N6' C24 45(2) . .
N5 N6' C24 92.4(19) . .
N6' N6 N5 60.9(17) . .
C24 N6 N5 101.4(17) . .
N5 N6 C24' 80.3(16) . .
C32 N7 C33 106.0(12) . .
C32 N7 C30 126.4(11) . .
C33 N7 C30 127.6(11) . .
C33 N8 N9' 105.9(12) . .
C33 N8 N9 100(2) . .
C33 N8 Zn2 136.7(10) . .
N9' N8 Zn2 117.3(9) . .
N9 N8 Zn2 120.0(19) . .
N9 N9' C32 74(5) . .
N9 N9' N8 81(5) . .
C32 N9' N8 108.1(12) . .
N9 N9' Zn1 94(5) . .
C32 N9' Zn1 124.4(11) . .
N8 N9' Zn1 123.6(10) . .
N9' N9 C32 82(5) . .
N9' N9 N8 77(5) . .
C32 N9 N8 109(3) . .
N9' N9 Zn1 72(5) . .
C32 N9 Zn1 119(3) . .
N8 N9 Zn1 116(2) . .
C50 N13 C48 131(2) . .
C50 N13 C51 103(2) . .
C48 N13 C51 125(2) . .
C50 N14 N15 102.1(19) . .
C51 N15 N14 112(2) . .
C69 N16 C68 105.8(9) . .
C69 N16 C55 128.4(9) . .
C68 N16 C55 125.7(8) . .
C69 N17 N18 107.8(8) . .
C69 N17 Zn3 131.8(7) . 2_656
N18 N17 Zn3 120.4(6) . 2_656
C68 N18 N17 106.1(8) . .
C68 N18 Mo7 130.5(7) . 2_656
N17 N18 Mo7 123.4(6) . 2_656
O1'' O1' C8 69(3) . .
O1'' O1' C7 60(3) . .
C8 O1' C7 102(3) . .
O1 O1'' C7 89(5) . .
O1' O1'' C7 84(3) . .
O1 O1'' C8 69(5) . .
O1' O1'' C8 75(3) . .
C7 O1'' C8 115(2) . .
O1'' O1 C8 90(5) . .
O1'' O1 C7 70(5) . .
C8 O1 C7 115.6(17) . .
C17 O2 C16 118.7(10) . .
O3' O3 C26 78(10) . .
O3' O3 C25 48(10) . .
C26 O3 C25 105(2) . .
O3 O3' C25 114(10) . .
O3 O3' C26 80(10) . .
C25 O3' C26 124(3) . .
C44 O5 C43 117(2) . .
C57 O6 C65 118.9(9) . .
Mo1 O8 Mo6 108.3(3) . .
Mo1 O8 Mo8 113.6(3) . 2_645
Mo6 O8 Mo8 91.0(2) . 2_645
Mo1 O9 Mo4 116.2(3) . .
Mo1 O10 Mo4 104.4(3) . 2_645
Mo1 O10 Mo8 152.1(3) . .
Mo4 O10 Mo8 92.3(2) 2_645 .
Mo1 O10 Mo1 103.6(3) . 2_645
Mo4 O10 Mo1 96.7(2) 2_645 2_645
Mo8 O10 Mo1 96.3(2) . 2_645
Mo4 O11 Mo6 147.4(3) 2_645 .
Mo4 O11 Mo1 106.1(3) 2_645 .
Mo6 O11 Mo1 106.0(3) . .
Mo6 O12 Zn1 135.9(4) . 2_655
Mo6 O13 Zn3 147.7(4) . 2_645
Mo4 O15 Mo8 113.2(3) . 2_645
Mo4 O16 Zn3 144.4(4) . .
Mo7 O18 Zn3 131.9(4) . .
Mo7 O21 Mo5 114.9(3) . .
Mo2 O22 Mo7 108.5(3) . .
Mo2 O22 Mo5 115.1(3) . .
Mo7 O22 Mo5 90.2(2) . .
Mo2 O24 Mo3 113.9(3) . 2_656
Mo2 O25 Mo3 105.6(3) . .
Mo2 O25 Mo5 149.7(3) . 2_656
Mo3 O25 Mo5 92.9(2) . 2_656
Mo2 O25 Mo2 103.8(2) . 2_656
Mo3 O25 Mo2 97.0(2) . 2_656
Mo5 O25 Mo2 97.3(2) 2_656 2_656
Mo3 O27 Mo7 149.5(3) . .
Mo3 O27 Mo2 104.7(3) . .
Mo7 O27 Mo2 105.6(3) . .
Mo3 O28 Mo5 113.3(3) . 2_656
Mo3 O30 Zn2 142.0(5) . 2_766
Mo6 O31 Mo8 113.3(3) . 2_645
S1 O33 Zn2 117.8(13) . .
S1 O34 Zn1 137.8(11) . .
O36 S1 O35 112.9(17) . .
O36 S1 O34 118.7(15) . .
O35 S1 O34 108.1(13) . .
O36 S1 O33 102.8(16) . .
O35 S1 O33 108.8(14) . .
O34 S1 O33 104.9(11) . .
O8W O7W O13W 53(5) . 2_645
O8W O7W O15W 90(6) . 2_645
O13W O7W O15W 50(4) 2_645 2_645
O13W O8W O9W 69(6) 2_645 .
O13W O8W O7W 68(6) 2_645 .
O9W O8W O7W 137(8) . .
O8W O9W O13W 53(4) . 2_645
O6W O11W O4W 99(8) 1_565 .
O8W O13W O15W 113(7) 2_645 .
O8W O13W O7W 58(5) 2_645 2_645
O15W O13W O7W 76(6) . 2_645
O8W O13W O9W 58(5) 2_645 2_645
O15W O13W O9W 126(7) . 2_645
O7W O13W O9W 116(6) 2_645 2_645
O8W O13W O14W 107(6) 2_645 .
O15W O13W O14W 52(4) . .
O7W O13W O14W 116(6) 2_645 .
O9W O13W O14W 79(5) 2_645 .
O15W O14W O13W 61(5) . .
O14W O15W O13W 68(6) . .
O14W O15W O7W 111(7) . 2_645
O13W O15W O7W 54(4) . 2_645
C41A N10 C42 101.5(15) . .
C42 N10 C41 108.0 . .
C41A N10 C39 134.2(18) . .
C42 N10 C39 124.1(11) . .
C41 N10 C39 127.7(11) . .
C42 N10 C41B 115(2) . .
C39 N10 C41B 116(3) . .
C41B C41 N10 94(5) . .
C41B C41 N11 108(5) . .
N10 C41 N11 108.0 . .
C41A N11 N12 101.4(15) . .
N12 N11 C41 108.0 . .
N12 N11 C41B 111(2) . .
C41A N11 Zn1 138.3(16) . 2_776
N12 N11 Zn1 120.3(7) . 2_776
C41 N11 Zn1 131.7(7) . 2_776
C41B N11 Zn1 124(2) . 2_776
C42 N12 N11 108.0 . .
C42 N12 Zn2 130.0(6) . 2_776
N11 N12 Zn2 120.2(6) . 2_776
N10 C42 N12 108.0 . .
C41 C41B N10 59(4) . .
C41A C41B N10 52(4) . .
C41 C41B N11 48(4) . .
N10 C41B N11 83(3) . .
C41B C41A N10 98(5) . .
C41B C41A N11 112(5) . .
N10 C41A N11 121(3) . .
C19' C19 C20 93(6) . .
C19' C19 C18 63(5) . .
C20 C19 C18 120(3) . .
C19' C19 C20' 70(5) . .
C18 C19 C20' 107(2) . .
C19 C19' C18 93(6) . .
C19 C19' C20' 87(6) . .
C18 C19' C20' 122(3) . .
C19 C19' C20 63(5) . .
C18 C19' C20 120(3) . .
O4' O4 C34' 115(6) . .
O4' O4 C34 48(3) . .
C34' O4 C34 90(4) . .
O4' O4 C35 68(4) . .
C34' O4 C35 136(5) . .
C34 O4 C35 115(3) . .
O4' C34 C4 131(3) . .
O4 C34 C4 109(2) . .
O4' C34 C34' 55(3) . .
C4 C34 C34' 80(3) . .
O4' C34 C4' 109(3) . .
O4 C34 C4' 85(2) . .
C34' C34 C4' 56(2) . .
O4 C34' C4' 123(4) . .
O4' C34' C4' 105(3) . .
O4 C34' C34 60(4) . .
C4' C34' C34 66(2) . .
O4 O4' C34 99(4) . .
C34 O4' C34' 85(3) . .
O4 O4' C35 80(4) . .
C34 O4' C35 164(3) . .
C34' O4' C35 103(3) . .
O11W O4W O10W 105(7) . .
O10W O4W O6W 115(7) . 1_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O34 2.014(16) .
Zn1 N11 2.03(7) 2_776
Zn1 O3W 2.106(10) .
Zn1 N9' 2.113(15) .
Zn1 N2 2.123(9) 2_665
Zn1 N9 2.22(4) .
Zn1 O12 2.245(7) 2_655
Zn2 O30 1.940(8) 2_766
Zn2 O2W 1.992(17) .
Zn2 O33 2.00(2) .
Zn2 N8 2.046(12) .
Zn2 N12 2.13(8) 2_776
Zn3 N5 2.024(9) .
Zn3 N17 2.079(8) 2_656
Zn3 O1W 2.092(9) .
Zn3 O16 2.142(7) .
Zn3 O18 2.250(8) .
Zn3 O13 2.271(7) 2_645
Mo1 O7 1.692(6) .
Mo1 O9 1.754(6) .
Mo1 O8 1.902(6) .
Mo1 O10 1.952(6) .
Mo1 O11 2.137(6) .
Mo1 O10 2.478(6) 2_645
Mo2 O26 1.703(6) .
Mo2 O24 1.741(7) .
Mo2 O22 1.887(6) .
Mo2 O25 1.945(6) .
Mo2 O27 2.190(6) .
Mo2 O25 2.461(6) 2_656
Mo3 O29 1.703(6) .
Mo3 O30 1.735(7) .
Mo3 O28 1.895(6) .
Mo3 O27 1.958(6) .
Mo3 O25 2.178(6) .
Mo3 O24 2.388(7) 2_656
Mo3 Mo5 3.2109(12) 2_656
Mo4 O17 1.692(7) .
Mo4 O16 1.728(6) .
Mo4 O15 1.887(6) .
Mo4 O11 1.956(6) 2_645
Mo4 O10 2.186(6) 2_645
Mo4 O9 2.340(6) .
Mo4 Mo8 3.1990(11) 2_645
Mo5 O19 1.685(7) .
Mo5 O20 1.706(7) .
Mo5 O28 1.948(7) 2_656
Mo5 O21 1.982(7) .
Mo5 O25 2.250(6) 2_656
Mo5 O22 2.297(6) .
Mo5 Mo3 3.2109(12) 2_656
Mo6 O13 1.718(6) .
Mo6 O12 1.726(7) .
Mo6 O31 1.850(6) .
Mo6 O11 2.046(6) .
Mo6 O8 2.213(6) .
Mo6 N3 2.270(8) 1_545
Mo6 Mo8 3.2200(11) 2_645
Mo7 O23 1.687(8) .
Mo7 O18 1.743(7) .
Mo7 O21 1.849(6) .
Mo7 O27 2.047(6) .
Mo7 N18 2.242(8) 2_656
Mo7 O22 2.264(7) .
Mo8 O32 1.699(7) .
Mo8 O14 1.700(7) .
Mo8 O15 1.944(7) 2_645
Mo8 O31 2.003(6) 2_645
Mo8 O10 2.248(6) .
Mo8 O8 2.300(6) 2_645
Mo8 Mo4 3.1990(11) 2_645
Mo8 Mo6 3.2200(11) 2_645
C1 C2 1.392(15) .
C1 C6 1.397(16) .
C1 C7 1.504(15) .
C2 C3 1.369(17) .
C2 C16 1.485(16) .
C3 C4 1.36(3) .
C3 C4' 1.53(4) .
C3 C25 1.541(18) .
C4 C4' 0.76(3) .
C4 C34 1.50(4) .
C4 C5 1.53(3) .
C4' C5 1.38(3) .
C4' C34' 1.65(6) .
C4' C34 1.82(4) .
C5 C6 1.373(19) .
C5 C43 1.57(2) .
C6 C65 1.517(17) .
C7 O1'' 1.35(3) .
C7 O1 1.44(2) .
C7 O1' 1.55(4) .
C8 O1 1.34(2) .
C8 C13 1.386(16) .
C8 C9 1.387(17) .
C8 O1'' 1.44(3) .
C8 O1' 1.48(4) .
C9 C10' 1.42(3) .
C9 C10 1.48(4) .
C10 C10' 0.67(4) .
C10 C11 1.45(5) .
C10 C11' 1.49(4) .
C10' C11' 1.42(3) .
C10' C11 1.68(5) .
C11 C11' 0.69(4) .
C11 C12 1.40(4) .
C11' C12 1.45(2) .
C12 C13 1.370(16) .
C12 N1' 1.40(5) .
C12 N1 1.49(6) .
C14' N1 1.21(7) .
C14' N2 1.31(3) .
C14' N1' 1.34(5) .
C14 N2 1.35(3) .
C14 N1 1.38(6) .
C14 N1' 1.49(5) .
C15 N3 1.308(13) .
C15 N1' 1.35(5) .
C15 N1 1.38(5) .
C16 O2 1.413(13) .
C17 O2 1.374(16) .
C17 C18 1.379(19) .
C17 C22 1.393(17) .
C18 C19' 1.39(3) .
C18 C19 1.55(4) .
C20 C20' 0.62(4) .
C20 C19 1.36(5) .
C20 C19' 1.52(5) .
C20 C21 1.53(4) .
C20' C21 1.35(3) .
C20' C19' 1.46(4) .
C20' C19 1.56(5) .
C21 C22 1.38(2) .
C21 N4' 1.47(3) .
C21 N4 1.50(2) .
C23 N4' 1.28(3) .
C23 N5 1.290(15) .
C23 N4 1.43(2) .
C24' C24 1.17(4) .
C24' N6' 1.28(4) .
C24' N4' 1.35(4) .
C24' N4 1.49(4) .
C24' N6 1.81(4) .
C24 N4 1.29(3) .
C24 N6 1.33(3) .
C24 N6' 1.65(4) .
C24 N4' 1.65(4) .
C25 O3' 1.30(5) .
C25 O3 1.59(5) .
C26 C31 1.360(18) .
C26 O3' 1.37(5) .
C26 O3 1.38(5) .
C26 C27 1.39(2) .
C27 C28 1.43(2) .
C28 C29 1.36(2) .
C29 C30 1.358(19) .
C30 C31 1.378(18) .
C30 N7 1.434(17) .
C32 N9 1.26(4) .
C32 N9' 1.29(2) .
C32 N7 1.340(16) .
C33 N8 1.319(19) .
C33 N7 1.369(16) .
C35 C36 1.36(3) .
C35 C40 1.38(3) .
C35 O4' 1.43(3) .
C35 O4 1.51(3) .
C36 C37 1.42(3) .
C37 C38 1.44(3) .
C38 C39 1.33(2) .
C39 C40 1.37(2) .
C39 N10 1.455(19) .
C43 O5 1.43(2) .
C44 C45 1.39(3) .
C44 C49 1.40(3) .
C44 O5 1.41(3) .
C45 C46 1.36(4) .
C46 C47 1.56(4) .
C47 C48 1.40(3) .
C48 C49 1.35(3) .
C48 N13 1.35(2) .
C50 N14 1.31(3) .
C50 N13 1.35(3) .
C51 N15 1.34(3) .
C51 N13 1.39(3) .
C55 C56 1.364(15) .
C55 C67 1.383(15) .
C55 N16 1.446(12) .
C56 C57 1.384(15) .
C57 O6 1.353(15) .
C57 C58 1.368(17) .
C58 C66 1.368(18) .
C65 O6 1.390(15) .
C66 C67 1.387(16) .
C68 N18 1.303(13) .
C68 N16 1.338(13) .
C69 N17 1.312(13) .
C69 N16 1.328(13) .
N2 N3 1.348(12) .
N2 Zn1 2.123(9) 2_665
N3 Mo6 2.270(8) 1_565
N4 N4' 0.63(2) .
N5 N6' 1.36(3) .
N5 N6 1.49(2) .
N6' N6 1.12(3) .
N8 N9' 1.392(19) .
N8 N9 1.41(4) .
N9' N9 0.54(4) .
N14 N15 1.37(2) .
N17 N18 1.365(11) .
N17 Zn3 2.079(8) 2_656
N18 Mo7 2.242(8) 2_656
O1' O1'' 0.90(6) .
O1'' O1 0.52(3) .
O3 O3' 0.52(5) .
O8 Mo8 2.300(6) 2_645
O10 Mo4 2.186(6) 2_645
O10 Mo1 2.478(6) 2_645
O11 Mo4 1.956(6) 2_645
O12 Zn1 2.245(7) 2_655
O13 Zn3 2.271(7) 2_645
O15 Mo8 1.944(7) 2_645
O24 Mo3 2.388(7) 2_656
O25 Mo5 2.250(6) 2_656
O25 Mo2 2.461(6) 2_656
O28 Mo5 1.948(7) 2_656
O30 Zn2 1.940(8) 2_766
O31 Mo8 2.003(6) 2_645
O33 S1 1.52(2) .
O34 S1 1.502(18) .
O35 S1 1.45(3) .
O36 S1 1.45(3) .
O6W O11W 0.95(7) 1_545
O6W O4W 1.55(9) 1_545
O7W O8W 1.38(9) .
O7W O13W 1.51(8) 2_645
O7W O15W 1.81(10) 2_645
O8W O13W 1.30(8) 2_645
O8W O9W 1.38(9) .
O9W O13W 1.51(8) 2_645
O10W O4W 1.30(8) .
O11W O6W 0.95(7) 1_565
O11W O4W 1.09(7) .
O13W O8W 1.30(8) 2_645
O13W O15W 1.44(9) .
O13W O7W 1.51(8) 2_645
O13W O9W 1.51(8) 2_645
O13W O14W 1.52(8) .
O14W O15W 1.29(9) .
O15W O7W 1.81(10) 2_645
N10 C41A 1.30(3) .
N10 C42 1.403(8) .
N10 C41 1.403(9) .
N10 C41B 1.63(6) .
C41 C41B 0.75(7) .
C41 N11 1.403(8) .
N11 C41A 1.31(3) .
N11 N12 1.403(8) .
N11 C41B 1.78(7) .
N11 Zn1 2.033(11) 2_776
N12 C42 1.403(8) .
N12 Zn2 2.127(10) 2_776
C41B C41A 0.82(7) .
C19 C19' 0.62(4) .
O4 O4' 0.80(4) .
O4 C34' 0.85(5) .
O4 C34 1.47(4) .
C34 O4' 1.11(3) .
C34 C34' 1.69(5) .
C34' O4' 1.39(6) .
O4W O6W 1.55(9) 1_565
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
C6 C1 C2 C3 -3.0(17) . .
C7 C1 C2 C3 177.8(11) . .
C6 C1 C2 C16 179.5(11) . .
C7 C1 C2 C16 0.3(15) . .
C1 C2 C3 C4 24(2) . .
C16 C2 C3 C4 -158.5(18) . .
C1 C2 C3 C4' -10(2) . .
C16 C2 C3 C4' 167.1(19) . .
C1 C2 C3 C25 -176.0(13) . .
C16 C2 C3 C25 2(2) . .
C2 C3 C4 C4' -94(4) . .
C25 C3 C4 C4' 104(4) . .
C2 C3 C4 C34 164(2) . .
C4' C3 C4 C34 -103(5) . .
C25 C3 C4 C34 1(3) . .
C2 C3 C4 C5 -34(3) . .
C4' C3 C4 C5 60(4) . .
C25 C3 C4 C5 164.0(17) . .
C3 C4 C4' C5 117.2(19) . .
C34 C4 C4' C5 -117(2) . .
C34 C4 C4' C3 125(3) . .
C5 C4 C4' C3 -117.2(19) . .
C3 C4 C4' C34' -118(3) . .
C34 C4 C4' C34' 7(5) . .
C5 C4 C4' C34' 124(4) . .
C3 C4 C4' C34 -125(3) . .
C5 C4 C4' C34 117(2) . .
C2 C3 C4' C4 104(4) . .
C25 C3 C4' C4 -89(4) . .
C4 C3 C4' C5 -74(5) . .
C2 C3 C4' C5 30(3) . .
C25 C3 C4' C5 -163(2) . .
C4 C3 C4' C34' 99(5) . .
C2 C3 C4' C34' -157(3) . .
C25 C3 C4' C34' 9(4) . .
C4 C3 C4' C34 42(3) . .
C2 C3 C4' C34 145.7(16) . .
C25 C3 C4' C34 -48(2) . .
C4 C4' C5 C6 -97(4) . .
C3 C4' C5 C6 -38(4) . .
C34' C4' C5 C6 149(3) . .
C34 C4' C5 C6 -147(2) . .
C3 C4' C5 C4 59(4) . .
C34' C4' C5 C4 -114(6) . .
C34 C4' C5 C4 -50(4) . .
C4 C4' C5 C43 104(4) . .
C3 C4' C5 C43 162(2) . .
C34' C4' C5 C43 -11(4) . .
C34 C4' C5 C43 54(3) . .
C4' C4 C5 C6 100(4) . .
C3 C4 C5 C6 26(3) . .
C34 C4 C5 C6 -171(2) . .
C3 C4 C5 C4' -75(4) . .
C34 C4 C5 C4' 89(5) . .
C4' C4 C5 C43 -92(5) . .
C3 C4 C5 C43 -166.8(19) . .
C34 C4 C5 C43 -3(3) . .
C4' C5 C6 C1 27(3) . .
C4 C5 C6 C1 -7(3) . .
C43 C5 C6 C1 -174.7(16) . .
C4' C5 C6 C65 -155(2) . .
C4 C5 C6 C65 171.3(17) . .
C43 C5 C6 C65 4(3) . .
C2 C1 C6 C5 -4.1(19) . .
C7 C1 C6 C5 175.1(13) . .
C2 C1 C6 C65 177.3(11) . .
C7 C1 C6 C65 -3.5(17) . .
C2 C1 C7 O1'' -60.0(19) . .
C6 C1 C7 O1'' 120.8(18) . .
C2 C1 C7 O1 -81.5(16) . .
C6 C1 C7 O1 99.3(16) . .
C2 C1 C7 O1' -97(2) . .
C6 C1 C7 O1' 84(2) . .
O1 C8 C9 C10' -176(2) . .
C13 C8 C9 C10' 12(3) . .
O1'' C8 C9 C10' -151(2) . .
O1' C8 C9 C10' 167(3) . .
O1 C8 C9 C10 154(2) . .
C13 C8 C9 C10 -18(3) . .
O1'' C8 C9 C10 179(3) . .
O1' C8 C9 C10 137(3) . .
C8 C9 C10 C10' 104(4) . .
C8 C9 C10 C11 15(4) . .
C10' C9 C10 C11 -89(5) . .
C8 C9 C10 C11' 44(3) . .
C10' C9 C10 C11' -60(4) . .
C11 C10 C10' C11' -4(3) . .
C9 C10 C10' C11' -122.7(16) . .
C11 C10 C10' C9 119(3) . .
C11' C10 C10' C9 122.7(16) . .
C9 C10 C10' C11 -119(3) . .
C11' C10 C10' C11 4(3) . .
C8 C9 C10' C10 -90(5) . .
C8 C9 C10' C11' -15(4) . .
C10 C9 C10' C11' 76(4) . .
C8 C9 C10' C11 -38(3) . .
C10 C9 C10' C11 52(4) . .
C10' C10 C11 C11' 8(6) . .
C9 C10 C11 C11' 81(5) . .
C10' C10 C11 C12 -66(5) . .
C9 C10 C11 C12 8(5) . .
C11' C10 C11 C12 -74(4) . .
C9 C10 C11 C10' 74(5) . .
C11' C10 C11 C10' -8(6) . .
C10 C10' C11 C11' -171(7) . .
C9 C10' C11 C11' 123(4) . .
C10 C10' C11 C12 121(5) . .
C11' C10' C11 C12 -68(4) . .
C9 C10' C11 C12 55(3) . .
C11' C10' C11 C10 171(7) . .
C9 C10' C11 C10 -66(5) . .
C12 C11 C11' C10' 113.6(19) . .
C10 C11 C11' C10' -4(3) . .
C10 C11 C11' C12 -117(2) . .
C10' C11 C11' C12 -113.6(19) . .
C12 C11 C11' C10 117(2) . .
C10' C11 C11' C10 4(3) . .
C10 C10' C11' C11 8(6) . .
C9 C10' C11' C11 -67(5) . .
C10 C10' C11' C12 83(4) . .
C9 C10' C11' C12 8(4) . .
C11 C10' C11' C12 75(4) . .
C9 C10' C11' C10 -75(4) . .
C11 C10' C11' C10 -8(6) . .
C10' C10 C11' C11 -172(6) . .
C9 C10 C11' C11 -112(5) . .
C11 C10 C11' C10' 172(6) . .
C9 C10 C11' C10' 60(4) . .
C10' C10 C11' C12 -108(4) . .
C11 C10 C11' C12 64(4) . .
C9 C10 C11' C12 -48(3) . .
C11' C11 C12 C13 -103(4) . .
C10 C11 C12 C13 -29(4) . .
C10' C11 C12 C13 -51(3) . .
C11' C11 C12 N1' 98(4) . .
C10 C11 C12 N1' 171(3) . .
C10' C11 C12 N1' 149(2) . .
C10 C11 C12 C11' 73(4) . .
C10' C11 C12 C11' 52(3) . .
C11' C11 C12 N1 97(5) . .
C10 C11 C12 N1 170(3) . .
C10' C11 C12 N1 148(3) . .
C11 C11' C12 C13 95(4) . .
C10' C11' C12 C13 2(3) . .
C10 C11' C12 C13 30(3) . .
C11 C11' C12 N1' -99(4) . .
C10' C11' C12 N1' 169(2) . .
C10 C11' C12 N1' -163(2) . .
C10' C11' C12 C11 -93(4) . .
C10 C11' C12 C11 -65(4) . .
C11 C11' C12 N1 -97(5) . .
C10' C11' C12 N1 170(3) . .
C10 C11' C12 N1 -162(3) . .
N1' C12 C13 C8 -172.2(18) . .
C11 C12 C13 C8 27(3) . .
C11' C12 C13 C8 -5(2) . .
N1 C12 C13 C8 -173(3) . .
O1 C8 C13 C12 -174.6(17) . .
C9 C8 C13 C12 -2(2) . .
O1'' C8 C13 C12 162.8(18) . .
O1' C8 C13 C12 -158(2) . .
C3 C2 C16 O2 113.7(14) . .
C1 C2 C16 O2 -68.8(15) . .
O2 C17 C18 C19' 166(2) . .
C22 C17 C18 C19' -10(3) . .
O2 C17 C18 C19 -167(2) . .
C22 C17 C18 C19 17(3) . .
C19 C20 C20' C21 114(3) . .
C19' C20 C20' C21 114(2) . .
C19 C20 C20' C19' 0(3) . .
C21 C20 C20' C19' -114(2) . .
C19' C20 C20' C19 0(3) . .
C21 C20 C20' C19 -114(3) . .
C20 C20' C21 C22 -100(5) . .
C19' C20' C21 C22 -15(4) . .
C19 C20' C21 C22 -40(4) . .
C20 C20' C21 N4' 83(5) . .
C19' C20' C21 N4' 168(2) . .
C19 C20' C21 N4' 142(2) . .
C20 C20' C21 N4 109(5) . .
C19' C20' C21 N4 -166(2) . .
C19 C20' C21 N4 169(2) . .
C19' C20' C21 C20 85(6) . .
C19 C20' C21 C20 59(5) . .
C19 C20 C21 C20' -85(6) . .
C19' C20 C21 C20' -63(5) . .
C20' C20 C21 C22 97(5) . .
C19 C20 C21 C22 12(4) . .
C19' C20 C21 C22 34(3) . .
C20' C20 C21 N4' -106(5) . .
C19 C20 C21 N4' 169(3) . .
C19' C20 C21 N4' -169(2) . .
C20' C20 C21 N4 -86(5) . .
C19 C20 C21 N4 -171(3) . .
C19' C20 C21 N4 -149(2) . .
C20' C21 C22 C17 17(3) . .
N4' C21 C22 C17 -165.5(18) . .
N4 C21 C22 C17 171.1(16) . .
C20 C21 C22 C17 -11(3) . .
O2 C17 C22 C21 -179.8(15) . .
C18 C17 C22 C21 -4(3) . .
N6' C24' C24 N4 -114(2) . .
N4' C24' C24 N4 -3.1(18) . .
N6 C24' C24 N4 -115(2) . .
N6' C24' C24 N6 1(3) . .
N4' C24' C24 N6 111(2) . .
N4 C24' C24 N6 115(2) . .
N4' C24' C24 N6' 111(3) . .
N4 C24' C24 N6' 114(2) . .
N6 C24' C24 N6' -1(3) . .
N6' C24' C24 N4' -111(3) . .
N4 C24' C24 N4' 3.1(18) . .
N6 C24' C24 N4' -111(2) . .
C4 C3 C25 O3' 52(3) . .
C2 C3 C25 O3' -109(2) . .
C4' C3 C25 O3' 85(3) . .
C4 C3 C25 O3 71(3) . .
C2 C3 C25 O3 -91(2) . .
C4' C3 C25 O3 103(3) . .
C31 C26 C27 C28 -2(3) . .
O3' C26 C27 C28 -166(2) . .
O3 C26 C27 C28 171(2) . .
C26 C27 C28 C29 0(3) . .
C27 C28 C29 C30 1(3) . .
C28 C29 C30 C31 2(3) . .
C28 C29 C30 N7 -179.0(16) . .
O3' C26 C31 C30 168(2) . .
O3 C26 C31 C30 -167(2) . .
C27 C26 C31 C30 4(3) . .
C29 C30 C31 C26 -4(3) . .
N7 C30 C31 C26 176.4(15) . .
C40 C35 C36 C37 1(3) . .
O4' C35 C36 C37 178(2) . .
O4 C35 C36 C37 -176(2) . .
C35 C36 C37 C38 -2(3) . .
C36 C37 C38 C39 3(3) . .
C37 C38 C39 C40 -4(3) . .
C37 C38 C39 N10 174.6(15) . .
C38 C39 C40 C35 3(3) . .
N10 C39 C40 C35 -175.7(16) . .
C36 C35 C40 C39 -1(3) . .
O4' C35 C40 C39 -176(3) . .
O4 C35 C40 C39 176.4(19) . .
C6 C5 C43 O5 61(3) . .
C4' C5 C43 O5 -139(3) . .
C4 C5 C43 O5 -106(2) . .
C49 C44 C45 C46 10(5) . .
O5 C44 C45 C46 177(3) . .
C44 C45 C46 C47 -4(5) . .
C45 C46 C47 C48 -2(5) . .
C46 C47 C48 C49 2(5) . .
C46 C47 C48 N13 -178(3) . .
N13 C48 C49 C44 -177(2) . .
C47 C48 C49 C44 4(4) . .
C45 C44 C49 C48 -10(4) . .
O5 C44 C49 C48 -178(2) . .
C67 C55 C56 C57 1.2(19) . .
N16 C55 C56 C57 175.1(11) . .
C55 C56 C57 O6 179.3(12) . .
C55 C56 C57 C58 0(2) . .
O6 C57 C58 C66 179.8(14) . .
C56 C57 C58 C66 -1(2) . .
C5 C6 C65 O6 63.7(19) . .
C1 C6 C65 O6 -117.6(13) . .
C57 C58 C66 C67 0(2) . .
C56 C55 C67 C66 -1.7(19) . .
N16 C55 C67 C66 -175.6(11) . .
C58 C66 C67 C55 1(2) . .
N2 C14' N1 C14 88(8) . .
N2 C14' N1 C15 -12(5) . .
N2 C14' N1 C12 172(5) . .
N2 C14 N1 C14' -67(7) . .
N2 C14 N1 C15 21(4) . .
N2 C14 N1 C12 -180(4) . .
N3 C15 N1 C14' 6(4) . .
N3 C15 N1 C14 -15(4) . .
N3 C15 N1 C12 -177(3) . .
C13 C12 N1 C14' -143(5) . .
C11 C12 N1 C14' 17(7) . .
C13 C12 N1 C14 -117(4) . .
C11 C12 N1 C14 43(6) . .
C11' C12 N1 C14 74(5) . .
C13 C12 N1 C15 41(5) . .
C11 C12 N1 C15 -158(3) . .
C11' C12 N1 C15 -127(3) . .
N2 C14' N1' C15 -15(3) . .
N2 C14' N1' C12 175(3) . .
N2 C14' N1' C14 87(7) . .
N3 C15 N1' C14' 10(3) . .
N3 C15 N1' C12 179(3) . .
N1 C15 N1' C12 152(38) . .
N3 C15 N1' C14 -9(3) . .
C13 C12 N1' C14' -148(3) . .
C11 C12 N1' C14' 13(5) . .
C11' C12 N1' C14' 45(4) . .
C13 C12 N1' C15 45(4) . .
C11 C12 N1' C15 -154(3) . .
C11' C12 N1' C15 -122(3) . .
C13 C12 N1' C14 -124(4) . .
C11' C12 N1' C14 68(4) . .
N2 C14 N1' C14' -67(7) . .
N2 C14 N1' C15 15(3) . .
N2 C14 N1' C12 -173(3) . .
N1 C14' N2 N3 13(4) . .
N1' C14' N2 N3 15(3) . .
N1 C14' N2 C14 -98(8) . .
N1' C14' N2 C14 -96(7) . .
N1 C14' N2 Zn1 -166(3) . 2_665
N1' C14' N2 Zn1 -163.7(18) . 2_665
N1 C14 N2 C14' 55(6) . .
N1' C14 N2 C14' 59(6) . .
N1 C14 N2 N3 -20(3) . .
N1' C14 N2 N3 -17(3) . .
N1 C14 N2 Zn1 -177(2) . 2_665
N1' C14 N2 Zn1 -174.0(18) . 2_665
N1' C15 N3 N2 -1(2) . .
N1 C15 N3 N2 2(3) . .
N1' C15 N3 Mo6 -174.8(17) . 1_565
N1 C15 N3 Mo6 -172(2) . 1_565
C14' N2 N3 C15 -8.5(18) . .
C14 N2 N3 C15 12.2(19) . .
Zn1 N2 N3 C15 170.6(7) 2_665 .
C14' N2 N3 Mo6 165.8(14) . 1_565
C14 N2 N3 Mo6 -173.5(15) . 1_565
Zn1 N2 N3 Mo6 -15.1(12) 2_665 1_565
C24' C24 N4 N4' 7(4) . .
N6 C24 N4 N4' -79(4) . .
N6' C24 N4 N4' -38(4) . .
C24' C24 N4 C23 75(3) . .
N6 C24 N4 C23 -11(3) . .
N6' C24 N4 C23 30(2) . .
N4' C24 N4 C23 68(3) . .
N6 C24 N4 C24' -86(3) . .
N6' C24 N4 C24' -45(2) . .
N4' C24 N4 C24' -7(4) . .
C24' C24 N4 C21 -85(4) . .
N6 C24 N4 C21 -171(3) . .
N6' C24 N4 C21 -130(3) . .
N4' C24 N4 C21 -92(5) . .
N5 C23 N4 N4' 110(3) . .
N4' C23 N4 C24 -109(4) . .
N5 C23 N4 C24 2(2) . .
N4' C23 N4 C24' -62(3) . .
N5 C23 N4 C24' 48(2) . .
N4' C23 N4 C21 56(3) . .
N5 C23 N4 C21 166.1(16) . .
C24 C24' N4 N4' -173(4) . .
N6' C24' N4 N4' -101(4) . .
N6 C24' N4 N4' -131(4) . .
N6' C24' N4 C24 72(3) . .
N4' C24' N4 C24 173(4) . .
N6 C24' N4 C24 42.1(19) . .
C24 C24' N4 C23 -112(2) . .
N6' C24' N4 C23 -40(3) . .
N4' C24' N4 C23 61(3) . .
N6 C24' N4 C23 -69.4(15) . .
C24 C24' N4 C21 130(2) . .
N6' C24' N4 C21 -158(2) . .
N4' C24' N4 C21 -58(3) . .
N6 C24' N4 C21 171.8(16) . .
C20' C21 N4 N4' -79(4) . .
C22 C21 N4 N4' 126(3) . .
C20 C21 N4 N4' -51(4) . .
C20' C21 N4 C24 29(4) . .
C22 C21 N4 C24 -126(3) . .
N4' C21 N4 C24 108(5) . .
C20 C21 N4 C24 57(4) . .
C20' C21 N4 C23 -130(2) . .
C22 C21 N4 C23 76(2) . .
N4' C21 N4 C23 -50(3) . .
C20 C21 N4 C23 -102(3) . .
C20' C21 N4 C24' -27(3) . .
C22 C21 N4 C24' 178(2) . .
N4' C21 N4 C24' 52(3) . .
C20 C21 N4 C24' 1(3) . .
C24 N4 N4' C23 97(3) . .
C24' N4 N4' C23 103(2) . .
C21 N4 N4' C23 -129.7(16) . .
C24 N4 N4' C24' -6(4) . .
C23 N4 N4' C24' -103(2) . .
C21 N4 N4' C24' 128(2) . .
C24 N4 N4' C21 -134(2) . .
C23 N4 N4' C21 129.7(16) . .
C24' N4 N4' C21 -128(2) . .
C23 N4 N4' C24 -97(3) . .
C24' N4 N4' C24 6(4) . .
C21 N4 N4' C24 134(2) . .
N5 C23 N4' N4 -80(3) . .
N5 C23 N4' C24' 10(3) . .
N4 C23 N4' C24' 90(4) . .
N5 C23 N4' C21 -158(2) . .
N4 C23 N4' C21 -77(3) . .
N5 C23 N4' C24 -34(2) . .
N4 C23 N4' C24 46(3) . .
C24 C24' N4' N4 6(4) . .
N6' C24' N4' N4 88(4) . .
N6 C24' N4' N4 50(4) . .
C24 C24' N4' C23 -84(3) . .
N6' C24' N4' C23 -2(4) . .
N4 C24' N4' C23 -90(3) . .
N6 C24' N4' C23 -40(2) . .
C24 C24' N4' C21 84(3) . .
N6' C24' N4' C21 166(3) . .
N4 C24' N4' C21 78(4) . .
N6 C24' N4' C21 128(2) . .
N6' C24' N4' C24 81(3) . .
N4 C24' N4' C24 -6(4) . .
N6 C24' N4' C24 43.7(19) . .
C20' C21 N4' N4 113(3) . .
C22 C21 N4' N4 -64(4) . .
C20 C21 N4' N4 138(3) . .
C20' C21 N4' C23 -165(2) . .
C22 C21 N4' C23 17(4) . .
N4 C21 N4' C23 82(3) . .
C20 C21 N4' C23 -140(3) . .
C20' C21 N4' C24' 30(4) . .
C22 C21 N4' C24' -147(3) . .
N4 C21 N4' C24' -83(4) . .
C20 C21 N4' C24' 55(4) . .
C20' C21 N4' C24 79(3) . .
C22 C21 N4' C24 -99(2) . .
N4 C21 N4' C24 -34(3) . .
C20 C21 N4' C24 104(2) . .
C24' C24 N4' N4 -171(5) . .
N6 C24 N4' N4 109(4) . .
N6' C24 N4' N4 142(4) . .
C24' C24 N4' C23 103(3) . .
N4 C24 N4' C23 -85(4) . .
N6 C24 N4' C23 24(3) . .
N6' C24 N4' C23 56.6(18) . .
N4 C24 N4' C24' 171(5) . .
N6 C24 N4' C24' -79(3) . .
N6' C24 N4' C24' -47(3) . .
C24' C24 N4' C21 -121(3) . .
N4 C24 N4' C21 50(3) . .
N6 C24 N4' C21 159(2) . .
N6' C24 N4' C21 -167.9(18) . .
N4' C23 N5 N6' -13(2) . .
N4 C23 N5 N6' -40(2) . .
N4' C23 N5 N6 35(2) . .
N4 C23 N5 N6 7(2) . .
N4' C23 N5 Zn3 -168.3(14) . .
N4 C23 N5 Zn3 164.3(12) . .
N17 Zn3 N5 C23 -96.6(18) 2_656 .
O1W Zn3 N5 C23 27.4(12) . .
O16 Zn3 N5 C23 112.6(12) . .
O18 Zn3 N5 C23 -60.3(12) . .
O13 Zn3 N5 C23 -157.6(12) 2_645 .
N17 Zn3 N5 N6' 116(2) 2_656 .
O1W Zn3 N5 N6' -120.4(19) . .
O16 Zn3 N5 N6' -35(2) . .
O18 Zn3 N5 N6' 151.9(19) . .
O13 Zn3 N5 N6' 54.6(19) 2_645 .
N17 Zn3 N5 N6 56(2) 2_656 .
O1W Zn3 N5 N6 -179.7(14) . .
O16 Zn3 N5 N6 -94.5(14) . .
O18 Zn3 N5 N6 92.6(14) . .
O13 Zn3 N5 N6 -4.6(14) 2_645 .
C24 C24' N6' N6 -1(3) . .
N4' C24' N6' N6 -80(3) . .
N4 C24' N6' N6 -54(3) . .
C24 C24' N6' N5 74(3) . .
N4' C24' N6' N5 -5(4) . .
N4 C24' N6' N5 21(4) . .
N6 C24' N6' N5 75(2) . .
N4' C24' N6' C24 -79(3) . .
N4 C24' N6' C24 -53(2) . .
N6 C24' N6' C24 1(3) . .
C23 N5 N6' N6 103.5(18) . .
Zn3 N5 N6' N6 -104.1(19) . .
C23 N5 N6' C24' 11(3) . .
N6 N5 N6' C24' -93(3) . .
Zn3 N5 N6' C24' 163(2) . .
C23 N5 N6' C24 53.2(19) . .
N6 N5 N6' C24 -50.3(17) . .
Zn3 N5 N6' C24 -154.4(14) . .
C24' C24 N6' N6 179(4) . .
N4 C24 N6' N6 -118(3) . .
N4' C24 N6' N6 -131(2) . .
N4 C24 N6' C24' 63(3) . .
N6 C24 N6' C24' -179(4) . .
N4' C24 N6' C24' 50(3) . .
C24' C24 N6' N5 -114(3) . .
N4 C24 N6' N5 -52(2) . .
N6 C24 N6' N5 66.5(19) . .
N4' C24 N6' N5 -64.6(18) . .
C24' N6' N6 C24 1(3) . .
N5 N6' N6 C24 -106.6(17) . .
C24' N6' N6 N5 107(3) . .
C24 N6' N6 N5 106.6(17) . .
N5 N6' N6 C24' -107(3) . .
C24 N6' N6 C24' -1(3) . .
C24' C24 N6 N6' -1(3) . .
N4 C24 N6 N6' 74(3) . .
N4' C24 N6 N6' 52(3) . .
C24' C24 N6 N5 -59(3) . .
N4 C24 N6 N5 15(3) . .
N6' C24 N6 N5 -58.7(18) . .
N4' C24 N6 N5 -7(3) . .
N4 C24 N6 C24' 74(3) . .
N6' C24 N6 C24' 1(3) . .
N4' C24 N6 C24' 53(2) . .
C23 N5 N6 N6' -90(2) . .
Zn3 N5 N6 N6' 114(2) . .
C23 N5 N6 C24 -13(2) . .
N6' N5 N6 C24 77(3) . .
Zn3 N5 N6 C24 -169.0(15) . .
C23 N5 N6 C24' -47.1(17) . .
N6' N5 N6 C24' 42(2) . .
Zn3 N5 N6 C24' 156.9(14) . .
C24 C24' N6 N6' 179(4) . .
N4' C24' N6 N6' 110(4) . .
N4 C24' N6 N6' 129(3) . .
N6' C24' N6 C24 -179(4) . .
N4' C24' N6 C24 -69(3) . .
N4 C24' N6 C24 -50(2) . .
C24 C24' N6 N5 121(3) . .
N6' C24' N6 N5 -58(2) . .
N4' C24' N6 N5 52(2) . .
N4 C24' N6 N5 71.2(17) . .
N9 C32 N7 C33 -21(3) . .
N9' C32 N7 C33 4(2) . .
N9 C32 N7 C30 162(2) . .
N9' C32 N7 C30 -172.6(15) . .
N8 C33 N7 C32 1(2) . .
N8 C33 N7 C30 178.2(16) . .
C29 C30 N7 C32 163.5(16) . .
C31 C30 N7 C32 -17(2) . .
C29 C30 N7 C33 -13(3) . .
C31 C30 N7 C33 166.6(16) . .
N7 C33 N8 N9' -6(2) . .
N7 C33 N8 N9 16(2) . .
N7 C33 N8 Zn2 175.4(13) . .
O30 Zn2 N8 C33 -23(2) 2_766 .
O2W Zn2 N8 C33 81(2) . .
O33 Zn2 N8 C33 170.2(19) . .
N12 Zn2 N8 C33 -117(3) 2_776 .
O30 Zn2 N8 N9' 158.6(12) 2_766 .
O2W Zn2 N8 N9' -97.2(14) . .
O33 Zn2 N8 N9' -8.5(19) . .
N12 Zn2 N8 N9' 64(2) 2_776 .
O30 Zn2 N8 N9 133(2) 2_766 .
O2W Zn2 N8 N9 -122(2) . .
O33 Zn2 N8 N9 -34(3) . .
N12 Zn2 N8 N9 39(3) 2_776 .
N7 C32 N9' N9 -82(5) . .
N9 C32 N9' N8 74(5) . .
N7 C32 N9' N8 -8(2) . .
N9 C32 N9' Zn1 -84(5) . .
N7 C32 N9' Zn1 -166.4(11) . .
C33 N8 N9' N9 78(6) . .
Zn2 N8 N9' N9 -103(5) . .
C33 N8 N9' C32 9(2) . .
N9 N8 N9' C32 -70(5) . .
Zn2 N8 N9' C32 -172.4(12) . .
C33 N8 N9' Zn1 167.2(13) . .
N9 N8 N9' Zn1 89(5) . .
Zn2 N8 N9' Zn1 -13.8(18) . .
O34 Zn1 N9' N9 137(5) . .
N11 Zn1 N9' N9 37(6) 2_776 .
O3W Zn1 N9' N9 -130(5) . .
N2 Zn1 N9' N9 -49(7) 2_665 .
O12 Zn1 N9' N9 -47(5) 2_655 .
O34 Zn1 N9' C32 -149.6(16) . .
N11 Zn1 N9' C32 111(3) 2_776 .
O3W Zn1 N9' C32 -56.1(15) . .
N2 Zn1 N9' C32 25(4) 2_665 .
N9 Zn1 N9' C32 74(5) . .
O12 Zn1 N9' C32 26.7(15) 2_655 .
O34 Zn1 N9' N8 55.3(14) . .
N11 Zn1 N9' N8 -44(3) 2_776 .
O3W Zn1 N9' N8 148.8(14) . .
N2 Zn1 N9' N8 -131(3) 2_665 .
N9 Zn1 N9' N8 -82(5) . .
O12 Zn1 N9' N8 -128.5(14) 2_655 .
N8 N9' N9 C32 -112.0(17) . .
Zn1 N9' N9 C32 124.6(13) . .
C32 N9' N9 N8 112.0(17) . .
Zn1 N9' N9 N8 -123.4(10) . .
C32 N9' N9 Zn1 -124.6(13) . .
N8 N9' N9 Zn1 123.4(10) . .
N7 C32 N9 N9' 105(5) . .
N9' C32 N9 N8 -73(5) . .
N7 C32 N9 N8 32(3) . .
N9' C32 N9 Zn1 63(5) . .
N7 C32 N9 Zn1 168.9(19) . .
C33 N8 N9 N9' -107(5) . .
Zn2 N8 N9 N9' 89(5) . .
C33 N8 N9 C32 -31(3) . .
N9' N8 N9 C32 76(5) . .
Zn2 N8 N9 C32 165.7(19) . .
C33 N8 N9 Zn1 -168.8(19) . .
N9' N8 N9 Zn1 -62(5) . .
Zn2 N8 N9 Zn1 28(3) . .
O34 Zn1 N9 N9' -45(6) . .
N11 Zn1 N9 N9' -142(6) 2_776 .
O3W Zn1 N9 N9' 51(5) . .
N2 Zn1 N9 N9' 159(3) 2_665 .
O12 Zn1 N9 N9' 133(5) 2_655 .
O34 Zn1 N9 C32 -113(3) . .
N11 Zn1 N9 C32 149(4) 2_776 .
O3W Zn1 N9 C32 -18(3) . .
N9' Zn1 N9 C32 -69(5) . .
N2 Zn1 N9 C32 90(4) 2_665 .
O12 Zn1 N9 C32 64(3) 2_655 .
O34 Zn1 N9 N8 20(3) . .
N11 Zn1 N9 N8 -77(3) 2_776 .
O3W Zn1 N9 N8 116(2) . .
N9' Zn1 N9 N8 65(5) . .
N2 Zn1 N9 N8 -136(2) 2_665 .
O12 Zn1 N9 N8 -162(3) 2_655 .
N14 C50 N13 C48 176(2) . .
N14 C50 N13 C51 1(3) . .
C49 C48 N13 C50 -145(3) . .
C47 C48 N13 C50 34(4) . .
C49 C48 N13 C51 29(4) . .
C47 C48 N13 C51 -151(3) . .
N15 C51 N13 C50 1(3) . .
N15 C51 N13 C48 -175(2) . .
N13 C50 N14 N15 -2(3) . .
N13 C51 N15 N14 -2(3) . .
C50 N14 N15 C51 2(3) . .
N17 C69 N16 C68 0.3(14) . .
N17 C69 N16 C55 -177.3(10) . .
N18 C68 N16 C69 0.4(14) . .
N18 C68 N16 C55 178.0(10) . .
C56 C55 N16 C69 134.7(13) . .
C67 C55 N16 C69 -51.1(17) . .
C56 C55 N16 C68 -42.4(17) . .
C67 C55 N16 C68 131.9(12) . .
N16 C69 N17 N18 -0.8(14) . .
N16 C69 N17 Zn3 -179.4(8) . 2_656
N16 C68 N18 N17 -0.9(13) . .
N16 C68 N18 Mo7 -179.9(7) . 2_656
C69 N17 N18 C68 1.1(13) . .
Zn3 N17 N18 C68 179.8(8) 2_656 .
C69 N17 N18 Mo7 -179.9(8) . 2_656
Zn3 N17 N18 Mo7 -1.1(11) 2_656 2_656
O1 C8 O1' O1'' -4(8) . .
C13 C8 O1' O1'' -91(3) . .
C9 C8 O1' O1'' 112(3) . .
O1 C8 O1' C7 -56(8) . .
C13 C8 O1' C7 -142.6(19) . .
C9 C8 O1' C7 61(3) . .
O1'' C8 O1' C7 -52(3) . .
O1 C7 O1' O1'' -5(8) . .
C1 C7 O1' O1'' 91(3) . .
O1'' C7 O1' C8 58(3) . .
O1 C7 O1' C8 52(8) . .
C1 C7 O1' C8 148.9(19) . .
C8 O1' O1'' C7 -118(2) . .
C7 O1' O1'' C8 118(2) . .
C1 C7 O1'' O1 -101(5) . .
O1' C7 O1'' O1 -4(6) . .
O1 C7 O1'' O1' 4(6) . .
C1 C7 O1'' O1' -98(3) . .
O1 C7 O1'' C8 -66(5) . .
C1 C7 O1'' C8 -168(2) . .
O1' C7 O1'' C8 -70(3) . .
C13 C8 O1'' O1 102(5) . .
C9 C8 O1'' O1 -94(5) . .
O1' C8 O1'' O1 -3(6) . .
O1 C8 O1'' O1' 3(6) . .
C13 C8 O1'' O1' 105(3) . .
C9 C8 O1'' O1' -91(3) . .
O1 C8 O1'' C7 79(5) . .
C13 C8 O1'' C7 -178.8(19) . .
C9 C8 O1'' C7 -15(4) . .
O1' C8 O1'' C7 76(3) . .
C7 O1'' O1 C8 -117.5(15) . .
C8 O1'' O1 C7 117.5(15) . .
C13 C8 O1 O1'' -87(5) . .
C9 C8 O1 O1'' 101(5) . .
O1' C8 O1 O1'' 173(13) . .
C13 C8 O1 C7 -153.9(17) . .
C9 C8 O1 C7 34(3) . .
O1'' C8 O1 C7 -67(5) . .
O1' C8 O1 C7 106(10) . .
C1 C7 O1 O1'' 84(5) . .
O1' C7 O1 O1'' 172(13) . .
O1'' C7 O1 C8 80(5) . .
C1 C7 O1 C8 163.7(17) . .
O1' C7 O1 C8 -109(10) . .
C18 C17 O2 C16 17(2) . .
C22 C17 O2 C16 -167.6(14) . .
C2 C16 O2 C17 170.7(12) . .
C31 C26 O3 O3' -80(11) . .
C27 C26 O3 O3' 108(10) . .
C31 C26 O3 C25 -39(4) . .
O3' C26 O3 C25 40(8) . .
C27 C26 O3 C25 148(2) . .
C3 C25 O3 O3' -89(11) . .
O3' C25 O3 C26 -58(10) . .
C3 C25 O3 C26 -147(3) . .
C26 O3 O3' C25 123(6) . .
C25 O3 O3' C26 -123(6) . .
C3 C25 O3' O3 97(11) . .
C3 C25 O3' C26 -168(3) . .
O3 C25 O3' C26 95(12) . .
C31 C26 O3' O3 115(10) . .
C27 C26 O3' O3 -81(11) . .
C31 C26 O3' C25 2(5) . .
O3 C26 O3' C25 -113(13) . .
C27 C26 O3' C25 166(3) . .
C45 C44 O5 C43 -12(4) . .
C49 C44 O5 C43 156(2) . .
C5 C43 O5 C44 -151(2) . .
C58 C57 O6 C65 171.4(14) . .
C56 C57 O6 C65 -8(2) . .
C6 C65 O6 C57 -169.8(12) . .
O7 Mo1 O8 Mo6 -90.2(3) . .
O9 Mo1 O8 Mo6 161.0(3) . .
O10 Mo1 O8 Mo6 42.5(5) . .
O11 Mo1 O8 Mo6 3.3(2) . .
O10 Mo1 O8 Mo6 89.5(3) 2_645 .
O7 Mo1 O8 Mo8 170.3(3) . 2_645
O9 Mo1 O8 Mo8 61.5(3) . 2_645
O10 Mo1 O8 Mo8 -56.9(5) . 2_645
O11 Mo1 O8 Mo8 -96.2(3) . 2_645
O10 Mo1 O8 Mo8 -10.0(2) 2_645 2_645
O13 Mo6 O8 Mo1 -2.6(10) . .
O12 Mo6 O8 Mo1 155.0(3) . .
O31 Mo6 O8 Mo1 -102.1(3) . .
O11 Mo6 O8 Mo1 -3.5(3) . .
N3 Mo6 O8 Mo1 75.9(3) 1_545 .
Mo8 Mo6 O8 Mo1 -115.3(3) 2_645 .
O13 Mo6 O8 Mo8 112.7(8) . 2_645
O12 Mo6 O8 Mo8 -89.7(3) . 2_645
O31 Mo6 O8 Mo8 13.2(2) . 2_645
O11 Mo6 O8 Mo8 111.8(3) . 2_645
N3 Mo6 O8 Mo8 -168.8(3) 1_545 2_645
O7 Mo1 O9 Mo4 -176.4(3) . .
O8 Mo1 O9 Mo4 -68.0(4) . .
O10 Mo1 O9 Mo4 76.8(4) . .
O11 Mo1 O9 Mo4 9.3(9) . .
O10 Mo1 O9 Mo4 3.5(3) 2_645 .
O16 Mo4 O9 Mo1 -174.7(4) . .
O15 Mo4 O9 Mo1 74.4(4) . .
O11 Mo4 O9 Mo1 -77.8(4) 2_645 .
O10 Mo4 O9 Mo1 -4.0(3) 2_645 .
Mo8 Mo4 O9 Mo1 40.3(3) 2_645 .
O7 Mo1 O10 Mo4 78.9(3) . 2_645
O9 Mo1 O10 Mo4 -173.2(3) . 2_645
O8 Mo1 O10 Mo4 -54.0(5) . 2_645
O11 Mo1 O10 Mo4 -14.4(2) . 2_645
O10 Mo1 O10 Mo4 -100.7(3) 2_645 2_645
O7 Mo1 O10 Mo8 -46.2(7) . .
O9 Mo1 O10 Mo8 61.7(7) . .
O8 Mo1 O10 Mo8 -179.2(5) . .
O11 Mo1 O10 Mo8 -139.5(7) . .
O10 Mo1 O10 Mo8 134.2(8) 2_645 .
O7 Mo1 O10 Mo1 179.6(3) . 2_645
O9 Mo1 O10 Mo1 -72.5(3) . 2_645
O8 Mo1 O10 Mo1 46.7(5) . 2_645
O11 Mo1 O10 Mo1 86.3(3) . 2_645
O10 Mo1 O10 Mo1 0.0 2_645 2_645
O32 Mo8 O10 Mo1 43.4(7) . .
O14 Mo8 O10 Mo1 -150.9(9) . .
O15 Mo8 O10 Mo1 143.3(7) 2_645 .
O31 Mo8 O10 Mo1 -52.6(7) 2_645 .
O8 Mo8 O10 Mo1 -127.6(7) 2_645 .
Mo4 Mo8 O10 Mo1 127.5(8) 2_645 .
Mo6 Mo8 O10 Mo1 -84.6(7) 2_645 .
O32 Mo8 O10 Mo4 -84.1(3) . 2_645
O14 Mo8 O10 Mo4 81.6(10) . 2_645
O15 Mo8 O10 Mo4 15.8(2) 2_645 2_645
O31 Mo8 O10 Mo4 179.8(3) 2_645 2_645
O8 Mo8 O10 Mo4 104.8(2) 2_645 2_645
Mo6 Mo8 O10 Mo4 147.81(18) 2_645 2_645
O32 Mo8 O10 Mo1 178.9(3) . 2_645
O14 Mo8 O10 Mo1 -15.4(10) . 2_645
O15 Mo8 O10 Mo1 -81.2(3) 2_645 2_645
O31 Mo8 O10 Mo1 82.9(2) 2_645 2_645
O8 Mo8 O10 Mo1 7.87(19) 2_645 2_645
Mo4 Mo8 O10 Mo1 -97.0(3) 2_645 2_645
Mo6 Mo8 O10 Mo1 50.84(15) 2_645 2_645
O13 Mo6 O11 Mo4 13.3(6) . 2_645
O12 Mo6 O11 Mo4 142.7(6) . 2_645
O31 Mo6 O11 Mo4 -90.7(6) . 2_645
O8 Mo6 O11 Mo4 -167.0(7) . 2_645
N3 Mo6 O11 Mo4 104.8(6) 1_545 2_645
Mo8 Mo6 O11 Mo4 -125.4(6) 2_645 2_645
O13 Mo6 O11 Mo1 -176.6(3) . .
O12 Mo6 O11 Mo1 -47.3(7) . .
O31 Mo6 O11 Mo1 79.4(3) . .
O8 Mo6 O11 Mo1 3.1(2) . .
N3 Mo6 O11 Mo1 -85.1(3) 1_545 .
Mo8 Mo6 O11 Mo1 44.6(2) 2_645 .
O7 Mo1 O11 Mo4 -85.9(3) . 2_645
O9 Mo1 O11 Mo4 88.6(8) . 2_645
O8 Mo1 O11 Mo4 171.0(3) . 2_645
O10 Mo1 O11 Mo4 16.3(3) . 2_645
O10 Mo1 O11 Mo4 94.2(3) 2_645 2_645
O7 Mo1 O11 Mo6 99.6(3) . .
O9 Mo1 O11 Mo6 -85.9(8) . .
O8 Mo1 O11 Mo6 -3.5(3) . .
O10 Mo1 O11 Mo6 -158.2(3) . .
O10 Mo1 O11 Mo6 -80.2(3) 2_645 .
O13 Mo6 O12 Zn1 103.5(6) . 2_655
O31 Mo6 O12 Zn1 -147.6(5) . 2_655
O11 Mo6 O12 Zn1 -22.7(10) . 2_655
O8 Mo6 O12 Zn1 -69.3(5) . 2_655
N3 Mo6 O12 Zn1 15.0(5) 1_545 2_655
Mo8 Mo6 O12 Zn1 -114.8(5) 2_645 2_655
O12 Mo6 O13 Zn3 -173.3(6) . 2_645
O31 Mo6 O13 Zn3 78.6(7) . 2_645
O11 Mo6 O13 Zn3 -15.9(7) . 2_645
O8 Mo6 O13 Zn3 -16.7(14) . 2_645
N3 Mo6 O13 Zn3 -94.1(7) 1_545 2_645
Mo8 Mo6 O13 Zn3 76.6(8) 2_645 2_645
O17 Mo4 O15 Mo8 77.3(4) . 2_645
O16 Mo4 O15 Mo8 -173.7(3) . 2_645
O11 Mo4 O15 Mo8 -36.8(7) 2_645 2_645
O10 Mo4 O15 Mo8 -20.4(3) 2_645 2_645
O9 Mo4 O15 Mo8 -93.9(3) . 2_645
O17 Mo4 O16 Zn3 -76.3(8) . .
O15 Mo4 O16 Zn3 179.8(6) . .
O11 Mo4 O16 Zn3 22.0(7) 2_645 .
O10 Mo4 O16 Zn3 82.9(10) 2_645 .
O9 Mo4 O16 Zn3 103.5(7) . .
Mo8 Mo4 O16 Zn3 173.9(4) 2_645 .
N5 Zn3 O16 Mo4 70.3(8) . .
N17 Zn3 O16 Mo4 -102.1(8) 2_656 .
O1W Zn3 O16 Mo4 161.9(8) . .
O18 Zn3 O16 Mo4 -145.6(11) . .
O13 Zn3 O16 Mo4 -20.9(7) 2_645 .
O23 Mo7 O18 Zn3 117.9(5) . .
O21 Mo7 O18 Zn3 -135.0(5) . .
O27 Mo7 O18 Zn3 -14.3(9) . .
N18 Mo7 O18 Zn3 26.6(5) 2_656 .
O22 Mo7 O18 Zn3 -58.6(5) . .
N5 Zn3 O18 Mo7 161.4(6) . .
N17 Zn3 O18 Mo7 -28.1(5) 2_656 .
O1W Zn3 O18 Mo7 68.6(5) . .
O16 Zn3 O18 Mo7 16.5(17) . .
O13 Zn3 O18 Mo7 -107.6(5) 2_645 .
O23 Mo7 O21 Mo5 177.3(4) . .
O18 Mo7 O21 Mo5 68.0(4) . .
O27 Mo7 O21 Mo5 -85.6(4) . .
N18 Mo7 O21 Mo5 -27.6(11) 2_656 .
O22 Mo7 O21 Mo5 -16.5(3) . .
O19 Mo5 O21 Mo7 -179.5(4) . .
O20 Mo5 O21 Mo7 -73.1(4) . .
O28 Mo5 O21 Mo7 52.7(7) 2_656 .
O25 Mo5 O21 Mo7 89.3(4) 2_656 .
O22 Mo5 O21 Mo7 16.5(3) . .
Mo3 Mo5 O21 Mo7 88.4(4) 2_656 .
O26 Mo2 O22 Mo7 -87.3(3) . .
O24 Mo2 O22 Mo7 163.8(3) . .
O25 Mo2 O22 Mo7 44.5(5) . .
O27 Mo2 O22 Mo7 4.8(2) . .
O25 Mo2 O22 Mo7 91.0(3) 2_656 .
O26 Mo2 O22 Mo5 173.5(3) . .
O24 Mo2 O22 Mo5 64.5(4) . .
O25 Mo2 O22 Mo5 -54.8(5) . .
O27 Mo2 O22 Mo5 -94.5(3) . .
O25 Mo2 O22 Mo5 -8.3(3) 2_656 .
O23 Mo7 O22 Mo2 -13.2(15) . .
O18 Mo7 O22 Mo2 152.2(3) . .
O21 Mo7 O22 Mo2 -103.8(3) . .
O27 Mo7 O22 Mo2 -5.2(3) . .
N18 Mo7 O22 Mo2 72.7(3) 2_656 .
O23 Mo7 O22 Mo5 103.4(13) . .
O18 Mo7 O22 Mo5 -91.2(3) . .
O21 Mo7 O22 Mo5 12.8(2) . .
O27 Mo7 O22 Mo5 111.4(3) . .
N18 Mo7 O22 Mo5 -170.6(3) 2_656 .
O19 Mo5 O22 Mo2 35.0(12) . .
O20 Mo5 O22 Mo2 -162.3(4) . .
O28 Mo5 O22 Mo2 -64.9(3) 2_656 .
O21 Mo5 O22 Mo2 98.5(4) . .
O25 Mo5 O22 Mo2 9.2(3) 2_656 .
Mo3 Mo5 O22 Mo2 -32.1(3) 2_656 .
O19 Mo5 O22 Mo7 -75.6(10) . .
O20 Mo5 O22 Mo7 87.1(3) . .
O28 Mo5 O22 Mo7 -175.5(2) 2_656 .
O21 Mo5 O22 Mo7 -12.1(2) . .
O25 Mo5 O22 Mo7 -101.4(2) 2_656 .
Mo3 Mo5 O22 Mo7 -142.68(16) 2_656 .
O26 Mo2 O24 Mo3 -174.6(3) . 2_656
O22 Mo2 O24 Mo3 -66.0(3) . 2_656
O25 Mo2 O24 Mo3 78.2(3) . 2_656
O27 Mo2 O24 Mo3 13.2(9) . 2_656
O25 Mo2 O24 Mo3 4.9(3) 2_656 2_656
O26 Mo2 O25 Mo3 76.5(3) . .
O24 Mo2 O25 Mo3 -175.6(3) . .
O22 Mo2 O25 Mo3 -55.4(5) . .
O27 Mo2 O25 Mo3 -15.1(2) . .
O25 Mo2 O25 Mo3 -101.5(3) 2_656 .
O26 Mo2 O25 Mo5 -49.2(7) . 2_656
O24 Mo2 O25 Mo5 58.7(7) . 2_656
O22 Mo2 O25 Mo5 178.9(5) . 2_656
O27 Mo2 O25 Mo5 -140.8(7) . 2_656
O25 Mo2 O25 Mo5 132.8(8) 2_656 2_656
O26 Mo2 O25 Mo2 178.0(3) . 2_656
O24 Mo2 O25 Mo2 -74.1(3) . 2_656
O22 Mo2 O25 Mo2 46.1(5) . 2_656
O27 Mo2 O25 Mo2 86.3(3) . 2_656
O25 Mo2 O25 Mo2 0.0 2_656 2_656
O29 Mo3 O25 Mo2 -76.6(3) . .
O30 Mo3 O25 Mo2 100.8(7) . .
O28 Mo3 O25 Mo2 -172.4(3) . .
O27 Mo3 O25 Mo2 17.0(3) . .
O24 Mo3 O25 Mo2 102.8(3) 2_656 .
Mo5 Mo3 O25 Mo2 -155.8(4) 2_656 .
O29 Mo3 O25 Mo5 79.2(3) . 2_656
O30 Mo3 O25 Mo5 -103.4(7) . 2_656
O28 Mo3 O25 Mo5 -16.6(2) . 2_656
O27 Mo3 O25 Mo5 172.8(3) . 2_656
O24 Mo3 O25 Mo5 -101.4(2) 2_656 2_656
O29 Mo3 O25 Mo2 176.9(3) . 2_656
O30 Mo3 O25 Mo2 -5.7(8) . 2_656
O28 Mo3 O25 Mo2 81.1(3) . 2_656
O27 Mo3 O25 Mo2 -89.6(2) . 2_656
O24 Mo3 O25 Mo2 -3.7(2) 2_656 2_656
Mo5 Mo3 O25 Mo2 97.7(2) 2_656 2_656
O29 Mo3 O27 Mo7 -103.8(7) . .
O30 Mo3 O27 Mo7 1.9(7) . .
O28 Mo3 O27 Mo7 140.3(6) . .
O25 Mo3 O27 Mo7 157.0(7) . .
O24 Mo3 O27 Mo7 83.5(7) 2_656 .
Mo5 Mo3 O27 Mo7 162.6(6) 2_656 .
O29 Mo3 O27 Mo2 84.3(3) . .
O30 Mo3 O27 Mo2 -170.0(3) . .
O28 Mo3 O27 Mo2 -31.6(6) . .
O25 Mo3 O27 Mo2 -15.0(2) . .
O24 Mo3 O27 Mo2 -88.4(3) 2_656 .
Mo5 Mo3 O27 Mo2 -9.3(3) 2_656 .
O23 Mo7 O27 Mo3 10.7(7) . .
O18 Mo7 O27 Mo3 144.7(6) . .
O21 Mo7 O27 Mo3 -92.3(7) . .
N18 Mo7 O27 Mo3 103.4(7) 2_656 .
O22 Mo7 O27 Mo3 -167.4(7) . .
O23 Mo7 O27 Mo2 -177.4(3) . .
O18 Mo7 O27 Mo2 -43.4(7) . .
O21 Mo7 O27 Mo2 79.6(3) . .
N18 Mo7 O27 Mo2 -84.7(3) 2_656 .
O22 Mo7 O27 Mo2 4.4(2) . .
O26 Mo2 O27 Mo3 -86.0(3) . .
O24 Mo2 O27 Mo3 86.4(8) . .
O22 Mo2 O27 Mo3 170.5(3) . .
O25 Mo2 O27 Mo3 16.8(3) . .
O25 Mo2 O27 Mo3 94.6(3) 2_656 .
O26 Mo2 O27 Mo7 98.2(3) . .
O24 Mo2 O27 Mo7 -89.4(8) . .
O22 Mo2 O27 Mo7 -5.2(3) . .
O25 Mo2 O27 Mo7 -158.9(3) . .
O25 Mo2 O27 Mo7 -81.2(3) 2_656 .
O29 Mo3 O28 Mo5 -78.0(4) . 2_656
O30 Mo3 O28 Mo5 176.1(4) . 2_656
O27 Mo3 O28 Mo5 37.5(6) . 2_656
O25 Mo3 O28 Mo5 21.0(3) . 2_656
O24 Mo3 O28 Mo5 94.4(3) 2_656 2_656
O29 Mo3 O30 Zn2 -148.9(7) . 2_766
O28 Mo3 O30 Zn2 -47.2(8) . 2_766
O27 Mo3 O30 Zn2 110.9(7) . 2_766
O25 Mo3 O30 Zn2 33.8(13) . 2_766
O24 Mo3 O30 Zn2 31.8(7) 2_656 2_766
Mo5 Mo3 O30 Zn2 -44.0(9) 2_656 2_766
O13 Mo6 O31 Mo8 -177.7(3) . 2_645
O12 Mo6 O31 Mo8 71.2(4) . 2_645
O11 Mo6 O31 Mo8 -85.8(3) . 2_645
O8 Mo6 O31 Mo8 -16.5(3) . 2_645
N3 Mo6 O31 Mo8 -23.2(12) 1_545 2_645
O30 Zn2 O33 S1 161.7(11) 2_766 .
O2W Zn2 O33 S1 63.8(14) . .
N8 Zn2 O33 S1 -32(2) . .
N12 Zn2 O33 S1 -105(3) 2_776 .
N11 Zn1 O34 S1 -24(3) 2_776 .
O3W Zn1 O34 S1 157.3(15) . .
N9' Zn1 O34 S1 -115.5(16) . .
N2 Zn1 O34 S1 65.5(16) 2_665 .
N9 Zn1 O34 S1 -105.7(18) . .
Zn1 O34 S1 O36 -58(2) . .
Zn1 O34 S1 O35 171.4(16) . .
Zn1 O34 S1 O33 55.5(19) . .
Zn2 O33 S1 O36 153.8(16) . .
Zn2 O33 S1 O35 -86.3(17) . .
Zn2 O33 S1 O34 29.1(16) . .
O15W O7W O8W O13W -37(5) 2_645 2_645
O13W O7W O8W O9W 8(9) 2_645 .
O15W O7W O8W O9W -29(11) 2_645 .
O7W O8W O9W O13W -8(9) . 2_645
O8W O13W O14W O15W 106(8) 2_645 .
O7W O13W O14W O15W 43(8) 2_645 .
O9W O13W O14W O15W 157(7) 2_645 .
O13W O14W O15W O7W -33(5) . 2_645
O8W O13W O15W O14W -95(8) 2_645 .
O7W O13W O15W O14W -141(7) 2_645 .
O9W O13W O15W O14W -28(9) 2_645 .
O8W O13W O15W O7W 46(6) 2_645 2_645
O9W O13W O15W O7W 112(8) 2_645 2_645
O14W O13W O15W O7W 141(7) . 2_645
C38 C39 N10 C41A -31(3) . .
C40 C39 N10 C41A 148(2) . .
C38 C39 N10 C42 154.7(15) . .
C40 C39 N10 C42 -27(2) . .
C38 C39 N10 C41 -30(2) . .
C40 C39 N10 C41 148.3(15) . .
C38 C39 N10 C41B -1(3) . .
C40 C39 N10 C41B 178(3) . .
C41A N10 C41 C41B -111(15) . .
C42 N10 C41 C41B -111(5) . .
C39 N10 C41 C41B 74(5) . .
C41A N10 C41 N11 0(14) . .
C42 N10 C41 N11 0.0 . .
C39 N10 C41 N11 -175.7(15) . .
C41B N10 C41 N11 111(5) . .
C41B C41 N11 C41A 101(15) . .
N10 C41 N11 C41A 0(13) . .
C41B C41 N11 N12 101(5) . .
N10 C41 N11 N12 0.0 . .
N10 C41 N11 C41B -101(5) . .
C41B C41 N11 Zn1 -79(5) . 2_776
N10 C41 N11 Zn1 -179.8(11) . 2_776
C41A N11 N12 C42 0.0(16) . .
C41 N11 N12 C42 0.0 . .
C41B N11 N12 C42 25(2) . .
Zn1 N11 N12 C42 179.8(9) 2_776 .
C41A N11 N12 Zn2 166.4(15) . 2_776
C41 N11 N12 Zn2 166.4(10) . 2_776
C41B N11 N12 Zn2 -169(2) . 2_776
Zn1 N11 N12 Zn2 -13.8(13) 2_776 2_776
C41A N10 C42 N12 0.0(16) . .
C41 N10 C42 N12 0.0 . .
C39 N10 C42 N12 175.8(15) . .
C41B N10 C42 N12 -28(3) . .
N11 N12 C42 N10 0.0 . .
Zn2 N12 C42 N10 -164.6(12) 2_776 .
N10 C41 C41B C41A 52(10) . .
N11 C41 C41B C41A -58(10) . .
N11 C41 C41B N10 -110.4(18) . .
N10 C41 C41B N11 110.4(18) . .
C41A N10 C41B C41 12(3) . .
C42 N10 C41B C41 80(5) . .
C39 N10 C41B C41 -122(4) . .
C42 N10 C41B C41A 68(5) . .
C41 N10 C41B C41A -12(3) . .
C39 N10 C41B C41A -134(4) . .
C41A N10 C41B N11 -33(4) . .
C42 N10 C41B N11 35(3) . .
C41 N10 C41B N11 -45(3) . .
C39 N10 C41B N11 -166.9(14) . .
C41A N11 C41B C41 -15(4) . .
N12 N11 C41B C41 -88(5) . .
Zn1 N11 C41B C41 118(4) 2_776 .
N12 N11 C41B C41A -73(5) . .
C41 N11 C41B C41A 15(4) . .
Zn1 N11 C41B C41A 133(5) 2_776 .
C41A N11 C41B N10 39(4) . .
N12 N11 C41B N10 -34(3) . .
C41 N11 C41B N10 54(4) . .
Zn1 N11 C41B N10 172.1(11) 2_776 .
C41 C41B C41A N10 -121(11) . .
N11 C41B C41A N10 128(4) . .
C41 C41B C41A N11 111(11) . .
N10 C41B C41A N11 -128(4) . .
C42 N10 C41A C41B -121(5) . .
C41 N10 C41A C41B 58(14) . .
C39 N10 C41A C41B 64(6) . .
C42 N10 C41A N11 0(3) . .
C39 N10 C41A N11 -175.2(18) . .
C41B N10 C41A N11 121(6) . .
N12 N11 C41A C41B 114(5) . .
C41 N11 C41A C41B -65(14) . .
Zn1 N11 C41A C41B -65(6) 2_776 .
N12 N11 C41A N10 0(3) . .
C41B N11 C41A N10 -114(6) . .
Zn1 N11 C41A N10 -179.8(13) 2_776 .
C20' C20 C19 C19' 0(7) . .
C21 C20 C19 C19' 62(6) . .
C20' C20 C19 C18 -60(6) . .
C19' C20 C19 C18 -60(5) . .
C21 C20 C19 C18 2(5) . .
C19' C20 C19 C20' 0(7) . .
C21 C20 C19 C20' 62(5) . .
C17 C18 C19 C19' -93(6) . .
C17 C18 C19 C20 -16(4) . .
C19' C18 C19 C20 77(6) . .
C17 C18 C19 C20' -37(3) . .
C19' C18 C19 C20' 56(5) . .
C20 C20' C19 C19' -180(8) . .
C21 C20' C19 C19' 98(5) . .
C21 C20' C19 C20 -82(5) . .
C19' C20' C19 C20 180(8) . .
C20 C20' C19 C18 128(6) . .
C21 C20' C19 C18 46(3) . .
C19' C20' C19 C18 -52(5) . .
C20 C19 C19' C18 -122(2) . .
C20' C19 C19' C18 -122(3) . .
C20 C19 C19' C20' 0(3) . .
C18 C19 C19' C20' 122(3) . .
C18 C19 C19' C20 122(2) . .
C20' C19 C19' C20 0(3) . .
C17 C18 C19' C19 100(6) . .
C17 C18 C19' C20' 12(4) . .
C19 C18 C19' C20' -88(6) . .
C17 C18 C19' C20 39(4) . .
C19 C18 C19' C20 -61(5) . .
C20 C20' C19' C19 0(7) . .
C21 C20' C19' C19 -92(6) . .
C20 C20' C19' C18 92(6) . .
C21 C20' C19' C18 0(5) . .
C19 C20' C19' C18 92(6) . .
C21 C20' C19' C20 -92(5) . .
C19 C20' C19' C20 0(7) . .
C20' C20 C19' C19 -180(8) . .
C21 C20 C19' C19 -125(6) . .
C20' C20 C19' C18 -102(5) . .
C19 C20 C19' C18 77(6) . .
C21 C20 C19' C18 -47(4) . .
C19 C20 C19' C20' 180(8) . .
C21 C20 C19' C20' 55(4) . .
C36 C35 O4 O4' -12(5) . .
C40 C35 O4 O4' 170(4) . .
C36 C35 O4 C34' -117(7) . .
C40 C35 O4 C34' 66(7) . .
O4' C35 O4 C34' -105(8) . .
C36 C35 O4 C34 1(4) . .
C40 C35 O4 C34 -176(2) . .
O4' C35 O4 C34 14(3) . .
C34' O4 C34 O4' 125(7) . .
C35 O4 C34 O4' -17(4) . .
O4' O4 C34 C4 -139(5) . .
C34' O4 C34 C4 -14(5) . .
C35 O4 C34 C4 -156(2) . .
O4' O4 C34 C34' -125(7) . .
C35 O4 C34 C34' -142(6) . .
O4' O4 C34 C4' -139(5) . .
C34' O4 C34 C4' -14(5) . .
C35 O4 C34 C4' -156(2) . .
C4' C4 C34 O4' -27(7) . .
C3 C4 C34 O4' 68(5) . .
C5 C4 C34 O4' -93(5) . .
C4' C4 C34 O4 1(6) . .
C3 C4 C34 O4 96(3) . .
C5 C4 C34 O4 -65(3) . .
C4' C4 C34 C34' -7(5) . .
C3 C4 C34 C34' 89(3) . .
C5 C4 C34 C34' -73(3) . .
C3 C4 C34 C4' 95(5) . .
C5 C4 C34 C4' -66(4) . .
C4 C4' C34 O4' 159(6) . .
C5 C4' C34 O4' -131(3) . .
C3 C4' C34 O4' 112(3) . .
C34' C4' C34 O4' -14(3) . .
C4 C4' C34 O4 -179(5) . .
C5 C4' C34 O4 -109(3) . .
C3 C4' C34 O4 134(2) . .
C34' C4' C34 O4 8(3) . .
C5 C4' C34 C4 70(5) . .
C3 C4' C34 C4 -47(4) . .
C34' C4' C34 C4 -172(6) . .
C4 C4' C34 C34' 172(6) . .
C5 C4' C34 C34' -117(3) . .
C3 C4' C34 C34' 125(3) . .
C34 O4 C34' O4' -42(5) . .
C35 O4 C34' O4' 84(8) . .
O4' O4 C34' C4' 61(8) . .
C34 O4 C34' C4' 18(6) . .
C35 O4 C34' C4' 145(4) . .
O4' O4 C34' C34 42(5) . .
C35 O4 C34' C34 127(7) . .
C4 C4' C34' O4 -24(9) . .
C5 C4' C34' O4 77(8) . .
C3 C4' C34' O4 -95(7) . .
C34 C4' C34' O4 -17(6) . .
C4 C4' C34' O4' 4(6) . .
C5 C4' C34' O4' 105(4) . .
C3 C4' C34' O4' -67(4) . .
C34 C4' C34' O4' 11(2) . .
C4 C4' C34' C34 -7(5) . .
C5 C4' C34' C34 94(4) . .
C3 C4' C34' C34 -78(3) . .
O4' C34 C34' O4 -32(4) . .
C4 C34 C34' O4 166(5) . .
C4' C34 C34' O4 163(5) . .
O4 C34 C34' O4' 32(4) . .
C4 C34 C34' O4' -161(4) . .
C4' C34 C34' O4' -164(4) . .
O4' C34 C34' C4' 164(4) . .
O4 C34 C34' C4' -163(5) . .
C4 C34 C34' C4' 3(2) . .
C34' O4 O4' C34 -65(6) . .
C35 O4 O4' C34 163(3) . .
C34 O4 O4' C34' 65(6) . .
C35 O4 O4' C34' -132(6) . .
C34' O4 O4' C35 132(6) . .
C34 O4 O4' C35 -163(3) . .
C4 C34 O4' O4 55(6) . .
C34' C34 O4' O4 30(3) . .
C4' C34 O4' O4 44(5) . .
O4 C34 O4' C34' -30(3) . .
C4 C34 O4' C34' 25(5) . .
C4' C34 O4' C34' 14(3) . .
O4 C34 O4' C35 88(13) . .
C4 C34 O4' C35 143(11) . .
C34' C34 O4' C35 118(13) . .
C4' C34 O4' C35 132(12) . .
C4' C34' O4' O4 -131(7) . .
C34 C34' O4' O4 -116(7) . .
O4 C34' O4' C34 116(7) . .
C4' C34' O4' C34 -15(3) . .
O4 C34' O4' C35 -49(6) . .
C4' C34' O4' C35 -180(2) . .
C34 C34' O4' C35 -165(4) . .
C36 C35 O4' O4 171(4) . .
C40 C35 O4' O4 -13(5) . .
C36 C35 O4' C34 80(13) . .
C40 C35 O4' C34 -104(13) . .
O4 C35 O4' C34 -91(13) . .
C36 C35 O4' C34' -164(3) . .
C40 C35 O4' C34' 12(4) . .
O4 C35 O4' C34' 25(3) . .
O6W O11W O4W O10W -111(8) 1_565 .
