#------------------------------------------------------------------------------
#$Date: 2017-03-02 17:12:34 +0200 (Thu, 02 Mar 2017) $
#$Revision: 192777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/06/4320632.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_4320632
loop_
_publ_author_name
'R. Kent Murmann'
'Charles L. Barnes'
_publ_contact_author_address
;
  Department of Chemistry
  University of Missouri
  Columbia, MO
  65211
;
_publ_contact_author_email       murmannr@missouri.edu
_publ_contact_author_fax         573-882-2754
_publ_contact_author_name
;
  R. Kent Murmann
;
_publ_contact_author_phone       573-882-2826
_publ_section_title
;
 Reaction of [Os(en)2O2]2+ with Photolyzed [Mo(CN)8]4- in Water
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6514
_journal_page_last               6517
_journal_paper_doi               10.1021/ic010466y
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety
;
  Tetraphenylarsonium bis(heptacyanomolybdenum(IV)
   -u-oxo-)bis(ethylenediammine)Osmate(VI)
;
_chemical_formula_sum            'C118 H108 As4 Mo2 N18 O11 Os'
_chemical_formula_weight         2635.93
_chemical_name_systematic
;
   Tetraphenylarsonium trans-bis(heptacyanomolybdenum(IV)
   -u-oxo-)bis(ethylenediammine)Osmate(VI)
;
_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                93.501(7)
_cell_angle_beta                 95.994(7)
_cell_angle_gamma                95.638(8)
_cell_formula_units_Z            2
_cell_length_a                   10.978(5)
_cell_length_b                   13.170(5)
_cell_length_c                   40.322(17)
_cell_measurement_reflns_used    26016
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.0
_cell_measurement_theta_min      0.6
_cell_volume                     5755(4)
_computing_cell_refinement       siemans_SMART
_computing_data_collection       siemans_SMART
_computing_data_reduction        siemans_SAINTv4.05
_computing_molecular_graphics    ORTEP3&XSEED
_computing_publication_material  'MS Word'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  siemans_SMART_CCD
_diffrn_measurement_method       'omega_scan_b/P/b '
_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  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0428
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            26016
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  300min
_diffrn_standards_number         50
_exptl_absorpt_coefficient_mu    2.524
_exptl_absorpt_correction_T_max  0.9396
_exptl_absorpt_correction_T_min  0.4317
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_meas      1.54
_exptl_crystal_density_method    flotation
_exptl_crystal_description       plate
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.282
_refine_diff_density_min         -1.924
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       <1
_refine_ls_extinction_method     Larson(1970)
_refine_ls_goodness_of_fit_ref   1.262
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1374
_refine_ls_number_reflns         16365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.262
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.600
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+64.1082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1214
_refine_ls_wR_factor_ref         0.1265
_reflns_number_gt                14226
_reflns_number_total             16365
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010466y_1.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:
'_symmetry_space_group_number' data item was removed -- it should
have been renamed to '_space_group_IT_number' as specified in the
replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst',
but the replacement data item was already present in the data block
and had the same value as the '_symmetry_space_group_number' data
item.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
;
_cod_database_code               4320632
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.34970(3) 0.27133(3) 0.264774(8) 0.01765(10) Uani 1 1 d . . .
Mo1 Mo 0.46600(7) 0.21707(5) 0.352802(17) 0.01630(17) Uani 1 1 d . . .
Mo2 Mo 0.25403(7) 0.33960(6) 0.176674(18) 0.02195(19) Uani 1 1 d . . .
As1 As 0.90962(9) 0.28728(7) 0.52280(2) 0.0243(2) Uani 1 1 d . . .
As2 As 0.95064(8) 0.25584(7) 0.68187(2) 0.0226(2) Uani 1 1 d . . .
As3 As 1.37832(9) 0.20742(7) 0.80389(2) 0.0252(2) Uani 1 1 d . . .
As4 As 0.01867(9) 0.22693(8) -0.02291(2) 0.0307(2) Uani 1 1 d . . .
O1 O 0.3981(5) 0.2347(4) 0.30670(14) 0.0204(13) Uani 1 1 d . . .
O2 O 0.3079(5) 0.3096(4) 0.22251(14) 0.0193(13) Uani 1 1 d . . .
N1 N 0.1627(7) 0.2329(6) 0.2689(2) 0.0326(19) Uani 1 1 d . . .
H1A H 0.1197 0.2238 0.2479 0.039 Uiso 1 1 calc R . .
H1B H 0.1526 0.1723 0.2790 0.039 Uiso 1 1 calc R . .
N2 N 0.2587(8) 0.3798(6) 0.36543(19) 0.0313(19) Uani 1 1 d . . .
N3 N 0.5354(7) 0.3158(6) 0.2597(2) 0.0310(19) Uiso 1 1 d . . .
H3A H 0.5409 0.3600 0.2429 0.037 Uiso 1 1 calc R . .
H3B H 0.5739 0.3489 0.2793 0.037 Uiso 1 1 calc R . .
N4 N 0.3917(8) 0.1297(6) 0.24464(19) 0.035(2) Uani 1 1 d . . .
H4A H 0.4017 0.0856 0.2613 0.042 Uiso 1 1 calc R . .
H4B H 0.3282 0.1012 0.2291 0.042 Uiso 1 1 calc R . .
N5 N 0.3081(7) 0.4149(6) 0.2854(2) 0.0298(19) Uiso 1 1 d . . .
H2A H 0.3384 0.4239 0.3077 0.036 Uiso 1 1 calc R . .
H2B H 0.3443 0.4671 0.2745 0.036 Uiso 1 1 calc R . .
N6 N 0.2045(8) 0.0824(7) 0.3627(2) 0.043(2) Uani 1 1 d . . .
N7 N 0.4670(9) 0.0001(7) 0.3064(2) 0.041(2) Uani 1 1 d . . .
N8 N 0.7546(8) 0.2039(6) 0.3367(2) 0.033(2) Uani 1 1 d . . .
N9 N 0.5724(8) 0.4496(6) 0.3356(2) 0.033(2) Uani 1 1 d . . .
N10 N 0.5655(7) 0.0544(6) 0.4066(2) 0.0299(19) Uani 1 1 d . . .
N11 N 0.5583(9) 0.3344(7) 0.4273(2) 0.046(2) Uani 1 1 d . . .
N12 N 0.4115(8) 0.1775(7) 0.1382(2) 0.038(2) Uani 1 1 d . . .
N13 N 0.5466(10) 0.4342(8) 0.1943(2) 0.054(3) Uani 1 1 d . . .
N14 N 0.2488(16) 0.5696(9) 0.2131(3) 0.108(6) Uani 1 1 d . . .
N15 N -0.0112(10) 0.3501(10) 0.2081(3) 0.074(4) Uani 1 1 d . . .
N16 N 0.1376(9) 0.1060(7) 0.1884(2) 0.047(2) Uani 1 1 d . . .
N17 N 0.3187(10) 0.4826(8) 0.1147(2) 0.052(3) Uani 1 1 d . . .
N18 N 0.0375(9) 0.2856(7) 0.1130(2) 0.041(2) Uani 1 1 d . . .
C1 C 0.1126(9) 0.3149(8) 0.2890(3) 0.036(3) Uani 1 1 d . . .
H1C H 0.1290 0.3048 0.3131 0.044 Uiso 1 1 calc R . .
H1D H 0.0224 0.3118 0.2832 0.044 Uiso 1 1 calc R . .
C2 C 0.1728(9) 0.4169(8) 0.2818(3) 0.036(2) Uani 1 1 d . . .
H2C H 0.1440 0.4326 0.2587 0.043 Uiso 1 1 calc R . .
H2D H 0.1502 0.4708 0.2975 0.043 Uiso 1 1 calc R . .
C3 C 0.5964(10) 0.2230(8) 0.2513(2) 0.036(3) Uani 1 1 d . . .
H3C H 0.6238 0.1915 0.2721 0.043 Uiso 1 1 calc R . .
H3D H 0.6699 0.2423 0.2399 0.043 Uiso 1 1 calc R . .
C4 C 0.5063(10) 0.1459(8) 0.2286(3) 0.039(3) Uani 1 1 d . . .
H4C H 0.4888 0.1727 0.2064 0.047 Uiso 1 1 calc R . .
H4D H 0.5424 0.0804 0.2256 0.047 Uiso 1 1 calc R . .
C5 C 0.3296(8) 0.3215(7) 0.3626(2) 0.020(2) Uani 1 1 d . . .
C6 C 0.2967(9) 0.1299(7) 0.3610(2) 0.025(2) Uani 1 1 d . . .
C7 C 0.4717(9) 0.0703(7) 0.3247(2) 0.026(2) Uani 1 1 d . . .
C8 C 0.6554(9) 0.2113(7) 0.3426(2) 0.024(2) Uani 1 1 d . . .
C9 C 0.5412(8) 0.3706(7) 0.3442(2) 0.022(2) Uani 1 1 d . . .
C10 C 0.5306(8) 0.1106(7) 0.3881(2) 0.022(2) Uani 1 1 d . . .
C11 C 0.5254(9) 0.2899(7) 0.4018(3) 0.031(2) Uani 1 1 d . . .
C12 C 0.3580(9) 0.2339(7) 0.1509(2) 0.023(2) Uani 1 1 d . . .
C13 C 0.4463(11) 0.4055(8) 0.1854(2) 0.037(3) Uani 1 1 d . . .
C14 C 0.2472(13) 0.4928(9) 0.1980(3) 0.056(3) Uani 1 1 d . . .
C15 C 0.0785(10) 0.3507(9) 0.1958(2) 0.042(3) Uani 1 1 d . . .
C16 C 0.1718(9) 0.1863(8) 0.1814(2) 0.029(2) Uani 1 1 d . . .
C17 C 0.2954(10) 0.4315(8) 0.1354(2) 0.037(3) Uani 1 1 d . . .
C18 C 0.1131(10) 0.3082(8) 0.1345(2) 0.031(2) Uani 1 1 d . . .
C19 C 0.8501(9) 0.1564(7) 0.5361(2) 0.030(2) Uani 1 1 d . . .
C20 C 0.7470(10) 0.1438(8) 0.5534(3) 0.040(3) Uani 1 1 d . . .
H20 H 0.7012 0.1997 0.5579 0.048 Uiso 1 1 calc R . .
C21 C 0.7124(11) 0.0478(9) 0.5638(3) 0.049(3) Uani 1 1 d . . .
H21 H 0.6421 0.0382 0.5756 0.059 Uiso 1 1 calc R . .
C22 C 0.7764(12) -0.0323(9) 0.5576(3) 0.051(3) Uani 1 1 d . . .
H22 H 0.7500 -0.0976 0.5647 0.061 Uiso 1 1 calc R . .
C23 C 0.8795(11) -0.0201(8) 0.5410(3) 0.045(3) Uani 1 1 d . . .
H23 H 0.9249 -0.0764 0.5368 0.054 Uiso 1 1 calc R . .
C24 C 0.9162(11) 0.0744(8) 0.5307(3) 0.044(3) Uani 1 1 d . . .
H24 H 0.9884 0.0835 0.5197 0.053 Uiso 1 1 calc R . .
C25 C 0.9465(9) 0.2694(7) 0.4780(2) 0.027(2) Uani 1 1 d . . .
C26 C 0.8564(9) 0.2217(7) 0.4542(2) 0.033(2) Uani 1 1 d . . .
H26 H 0.7792 0.1959 0.4607 0.040 Uiso 1 1 calc R . .
C27 C 0.8769(10) 0.2110(8) 0.4210(2) 0.039(3) Uani 1 1 d . . .
H27 H 0.8141 0.1799 0.4045 0.047 Uiso 1 1 calc R . .
C28 C 0.9909(12) 0.2469(8) 0.4126(3) 0.046(3) Uani 1 1 d . . .
H28 H 1.0059 0.2400 0.3898 0.055 Uiso 1 1 calc R . .
C29 C 1.0835(11) 0.2921(8) 0.4358(3) 0.041(3) Uani 1 1 d . . .
H29 H 1.1617 0.3153 0.4294 0.049 Uiso 1 1 calc R . .
C30 C 1.0607(9) 0.3031(7) 0.4687(3) 0.033(2) Uani 1 1 d . . .
H30 H 1.1238 0.3341 0.4852 0.040 Uiso 1 1 calc R . .
C31 C 0.7930(8) 0.3829(7) 0.5245(2) 0.025(2) Uani 1 1 d . . .
C32 C 0.7412(9) 0.4204(7) 0.4956(2) 0.031(2) Uani 1 1 d . . .
H32 H 0.7593 0.3933 0.4745 0.037 Uiso 1 1 calc R . .
C33 C 0.6637(9) 0.4966(8) 0.4968(3) 0.038(3) Uani 1 1 d . . .
H33 H 0.6286 0.5215 0.4768 0.046 Uiso 1 1 calc R . .
C34 C 0.6374(9) 0.5363(8) 0.5277(3) 0.036(2) Uani 1 1 d . . .
H34 H 0.5842 0.5888 0.5288 0.044 Uiso 1 1 calc R . .
C35 C 0.6884(9) 0.4997(8) 0.5566(3) 0.037(3) Uani 1 1 d . . .
H35 H 0.6686 0.5263 0.5776 0.044 Uiso 1 1 calc R . .
C36 C 0.7678(10) 0.4250(8) 0.5555(3) 0.037(3) Uani 1 1 d . . .
H36 H 0.8052 0.4022 0.5757 0.044 Uiso 1 1 calc R . .
C37 C 1.0512(8) 0.3406(7) 0.5521(2) 0.027(2) Uani 1 1 d . . .
C38 C 1.1242(10) 0.2746(8) 0.5686(3) 0.045(3) Uani 1 1 d . . .
H38 H 1.1045 0.2027 0.5648 0.053 Uiso 1 1 calc R . .
C39 C 1.2240(10) 0.3133(10) 0.5904(3) 0.053(3) Uani 1 1 d . . .
H39 H 1.2738 0.2680 0.6015 0.063 Uiso 1 1 calc R . .
C40 C 1.2528(11) 0.4161(9) 0.5962(3) 0.050(3) Uani 1 1 d . . .
H40 H 1.3225 0.4421 0.6114 0.060 Uiso 1 1 calc R . .
C41 C 1.1819(10) 0.4826(8) 0.5802(2) 0.038(3) Uani 1 1 d . . .
H41 H 1.2036 0.5543 0.5840 0.046 Uiso 1 1 calc R . .
C42 C 1.0797(10) 0.4456(8) 0.5588(2) 0.036(2) Uani 1 1 d . . .
H42 H 1.0286 0.4916 0.5485 0.043 Uiso 1 1 calc R . .
C43 C 1.0368(8) 0.3899(7) 0.6916(2) 0.025(2) Uani 1 1 d . . .
C44 C 1.0681(9) 0.4453(8) 0.6652(2) 0.032(2) Uani 1 1 d . . .
H44 H 1.0472 0.4167 0.6429 0.039 Uiso 1 1 calc R . .
C45 C 1.1293(9) 0.5417(8) 0.6712(3) 0.038(3) Uani 1 1 d . . .
H45 H 1.1501 0.5801 0.6530 0.045 Uiso 1 1 calc R . .
C46 C 1.1606(9) 0.5829(8) 0.7033(3) 0.039(3) Uani 1 1 d . . .
H46 H 1.2026 0.6498 0.7074 0.046 Uiso 1 1 calc R . .
C47 C 1.1308(9) 0.5267(8) 0.7299(3) 0.037(3) Uani 1 1 d . . .
H47 H 1.1529 0.5554 0.7522 0.044 Uiso 1 1 calc R . .
C48 C 1.0689(9) 0.4288(8) 0.7243(2) 0.033(2) Uani 1 1 d . . .
H48 H 1.0492 0.3898 0.7425 0.039 Uiso 1 1 calc R . .
C49 C 1.0564(8) 0.1742(7) 0.6603(2) 0.026(2) Uani 1 1 d . . .
C50 C 1.0120(9) 0.1084(7) 0.6327(2) 0.027(2) Uani 1 1 d . . .
H50 H 0.9287 0.1055 0.6232 0.033 Uiso 1 1 calc R . .
C51 C 1.0932(10) 0.0470(8) 0.6193(3) 0.037(3) Uani 1 1 d . . .
H51 H 1.0659 0.0022 0.6001 0.045 Uiso 1 1 calc R . .
C52 C 1.2128(10) 0.0504(8) 0.6338(3) 0.043(3) Uani 1 1 d . . .
H52 H 1.2661 0.0061 0.6247 0.051 Uiso 1 1 calc R . .
C53 C 1.2568(9) 0.1154(8) 0.6608(3) 0.038(3) Uani 1 1 d . . .
H53 H 1.3400 0.1170 0.6703 0.045 Uiso 1 1 calc R . .
C54 C 1.1784(9) 0.1795(8) 0.6744(3) 0.038(3) Uani 1 1 d . . .
H54 H 1.2078 0.2263 0.6931 0.045 Uiso 1 1 calc R . .
C55 C 0.9140(8) 0.1954(7) 0.7221(2) 0.026(2) Uani 1 1 d . . .
C56 C 0.9562(9) 0.1023(8) 0.7300(3) 0.036(3) Uani 1 1 d . . .
H56 H 1.0062 0.0686 0.7159 0.043 Uiso 1 1 calc R . .
C57 C 0.9239(9) 0.0607(8) 0.7585(3) 0.037(3) Uani 1 1 d . . .
H57 H 0.9505 -0.0033 0.7639 0.045 Uiso 1 1 calc R . .
C58 C 0.8540(10) 0.1095(8) 0.7793(3) 0.038(3) Uani 1 1 d . . .
H58 H 0.8327 0.0791 0.7989 0.046 Uiso 1 1 calc R . .
C59 C 0.8138(10) 0.2034(8) 0.7719(3) 0.039(3) Uani 1 1 d . . .
H59 H 0.7664 0.2377 0.7865 0.047 Uiso 1 1 calc R . .
C60 C 0.8434(9) 0.2461(7) 0.7431(2) 0.031(2) Uani 1 1 d . . .
H60 H 0.8158 0.3098 0.7376 0.037 Uiso 1 1 calc R . .
C61 C 0.7978(8) 0.2649(7) 0.6563(2) 0.022(2) Uani 1 1 d . . .
C62 C 0.7179(8) 0.1738(7) 0.6490(2) 0.026(2) Uani 1 1 d . . .
H62 H 0.7431 0.1105 0.6558 0.031 Uiso 1 1 calc R . .
C63 C 0.6027(10) 0.1775(8) 0.6320(2) 0.036(2) Uani 1 1 d . . .
H63 H 0.5474 0.1170 0.6273 0.043 Uiso 1 1 calc R . .
C64 C 0.5687(9) 0.2704(8) 0.6219(2) 0.037(3) Uani 1 1 d . . .
H64 H 0.4906 0.2720 0.6095 0.044 Uiso 1 1 calc R . .
C65 C 0.6436(9) 0.3595(8) 0.6292(2) 0.028(2) Uani 1 1 d . . .
H65 H 0.6165 0.4226 0.6228 0.034 Uiso 1 1 calc R . .
C66 C 0.7603(9) 0.3570(7) 0.6462(2) 0.028(2) Uani 1 1 d . . .
H66 H 0.8143 0.4183 0.6508 0.033 Uiso 1 1 calc R . .
C67 C 1.2698(9) 0.2882(7) 0.8252(2) 0.030(2) Uani 1 1 d . . .
C68 C 1.3111(13) 0.3492(11) 0.8541(3) 0.068(4) Uani 1 1 d . . .
H68 H 1.3930 0.3497 0.8644 0.082 Uiso 1 1 calc R . .
C69 C 1.2297(14) 0.4092(13) 0.8672(4) 0.092(6) Uani 1 1 d . . .
H69 H 1.2551 0.4500 0.8875 0.110 Uiso 1 1 calc R . .
C70 C 1.1146(12) 0.4112(10) 0.8520(3) 0.062(4) Uani 1 1 d . . .
H70 H 1.0615 0.4552 0.8613 0.074 Uiso 1 1 calc R . .
C71 C 1.0737(11) 0.3523(9) 0.8240(3) 0.050(3) Uani 1 1 d . . .
H71 H 0.9921 0.3538 0.8137 0.060 Uiso 1 1 calc R . .
C72 C 1.1517(10) 0.2894(8) 0.8105(3) 0.041(3) Uani 1 1 d . . .
H72 H 1.1234 0.2466 0.7908 0.049 Uiso 1 1 calc R . .
C73 C 1.4214(8) 0.2689(7) 0.7646(2) 0.026(2) Uani 1 1 d . . .
C74 C 1.4962(9) 0.2202(8) 0.7447(2) 0.037(3) Uani 1 1 d . . .
H74 H 1.5295 0.1599 0.7515 0.044 Uiso 1 1 calc R . .
C75 C 1.5223(10) 0.2585(8) 0.7153(2) 0.039(3) Uani 1 1 d . . .
H75 H 1.5738 0.2250 0.7017 0.046 Uiso 1 1 calc R . .
C76 C 1.4732(9) 0.3473(8) 0.7053(3) 0.038(3) Uani 1 1 d . . .
H76 H 1.4923 0.3748 0.6849 0.046 Uiso 1 1 calc R . .
C77 C 1.3988(9) 0.3935(7) 0.7245(2) 0.032(2) Uani 1 1 d . . .
H77 H 1.3657 0.4538 0.7176 0.038 Uiso 1 1 calc R . .
C78 C 1.3705(9) 0.3556(7) 0.7535(3) 0.031(2) Uani 1 1 d . . .
H78 H 1.3157 0.3880 0.7663 0.037 Uiso 1 1 calc R . .
C79 C 1.5281(8) 0.1940(7) 0.8311(2) 0.021(2) Uani 1 1 d . . .
C80 C 1.6072(9) 0.2822(8) 0.8398(3) 0.035(2) Uani 1 1 d . . .
H80 H 1.5858 0.3469 0.8334 0.042 Uiso 1 1 calc R . .
C81 C 1.7190(10) 0.2727(9) 0.8584(3) 0.041(3) Uani 1 1 d . . .
H81 H 1.7737 0.3324 0.8653 0.049 Uiso 1 1 calc R . .
C82 C 1.7522(10) 0.1788(8) 0.8668(3) 0.043(3) Uani 1 1 d . . .
H82 H 1.8300 0.1739 0.8790 0.051 Uiso 1 1 calc R . .
C83 C 1.6728(10) 0.0924(8) 0.8577(3) 0.039(3) Uani 1 1 d . . .
H83 H 1.6952 0.0275 0.8637 0.047 Uiso 1 1 calc R . .
C84 C 1.5614(10) 0.0996(8) 0.8399(2) 0.037(2) Uani 1 1 d . . .
H84 H 1.5064 0.0396 0.8336 0.044 Uiso 1 1 calc R . .
C85 C 1.2914(9) 0.0756(7) 0.7913(2) 0.030(2) Uani 1 1 d . . .
C86 C 1.2544(9) 0.0139(8) 0.8154(3) 0.041(3) Uani 1 1 d . . .
H86 H 1.2725 0.0365 0.8383 0.049 Uiso 1 1 calc R . .
C87 C 1.1911(9) -0.0806(8) 0.8063(4) 0.052(3) Uani 1 1 d . . .
H87 H 1.1677 -0.1243 0.8229 0.062 Uiso 1 1 calc R . .
C88 C 1.1610(10) -0.1125(9) 0.7722(4) 0.066(5) Uani 1 1 d . . .
H88 H 1.1145 -0.1766 0.7657 0.079 Uiso 1 1 calc R . .
C89 C 1.1995(11) -0.0499(9) 0.7486(4) 0.057(4) Uani 1 1 d . . .
H89 H 1.1815 -0.0720 0.7256 0.069 Uiso 1 1 calc R . .
C90 C 1.2635(10) 0.0441(8) 0.7576(3) 0.042(3) Uani 1 1 d . . .
H90 H 1.2886 0.0873 0.7409 0.051 Uiso 1 1 calc R . .
C91 C 0.1554(9) 0.1980(8) 0.0070(2) 0.033(2) Uani 1 1 d . . .
C92 C 0.1773(11) 0.2508(9) 0.0384(3) 0.047(3) Uani 1 1 d . . .
H92 H 0.1291 0.3038 0.0444 0.057 Uiso 1 1 calc R . .
C93 C 0.2723(11) 0.2236(10) 0.0609(3) 0.053(3) Uani 1 1 d . . .
H93 H 0.2873 0.2569 0.0827 0.063 Uiso 1 1 calc R . .
C94 C 0.3435(11) 0.1499(11) 0.0518(3) 0.055(3) Uani 1 1 d . . .
H94 H 0.4085 0.1326 0.0672 0.066 Uiso 1 1 calc R . .
C95 C 0.3216(11) 0.1005(10) 0.0205(3) 0.052(3) Uani 1 1 d . . .
H95 H 0.3715 0.0491 0.0143 0.062 Uiso 1 1 calc R . .
C96 C 0.2280(10) 0.1250(8) -0.0018(3) 0.040(3) Uani 1 1 d . . .
H96 H 0.2137 0.0909 -0.0235 0.048 Uiso 1 1 calc R . .
C97 C 0.0394(9) 0.3647(8) -0.0354(2) 0.033(2) Uani 1 1 d . . .
C98 C -0.0471(11) 0.4014(9) -0.0570(3) 0.050(3) Uani 1 1 d . . .
H98 H -0.1211 0.3592 -0.0646 0.060 Uiso 1 1 calc R . .
C99 C -0.0294(12) 0.4983(9) -0.0679(3) 0.049(3) Uani 1 1 d . . .
H99 H -0.0900 0.5224 -0.0832 0.059 Uiso 1 1 calc R . .
C100 C 0.0760(13) 0.5590(10) -0.0566(3) 0.054(3) Uani 1 1 d . . .
H100 H 0.0906 0.6254 -0.0643 0.065 Uiso 1 1 calc R . .
C101 C 0.1594(14) 0.5242(11) -0.0344(4) 0.079(5) Uani 1 1 d . . .
H101 H 0.2314 0.5679 -0.0260 0.095 Uiso 1 1 calc R . .
C102 C 0.1435(12) 0.4255(10) -0.0235(4) 0.066(4) Uani 1 1 d . . .
H102 H 0.2040 0.4018 -0.0081 0.079 Uiso 1 1 calc R . .
C103 C 0.0110(9) 0.1410(8) -0.0624(2) 0.030(2) Uani 1 1 d . . .
C104 C 0.0834(10) 0.1712(9) -0.0870(3) 0.045(3) Uani 1 1 d . . .
H104 H 0.1324 0.2354 -0.0843 0.054 Uiso 1 1 calc R . .
C105 C 0.0836(12) 0.1079(11) -0.1151(3) 0.059(4) Uani 1 1 d . . .
H105 H 0.1338 0.1280 -0.1319 0.071 Uiso 1 1 calc R . .
C106 C 0.0121(11) 0.0155(9) -0.1193(3) 0.049(3) Uani 1 1 d . . .
H106 H 0.0129 -0.0273 -0.1391 0.059 Uiso 1 1 calc R . .
C107 C -0.0604(11) -0.0159(8) -0.0954(3) 0.044(3) Uani 1 1 d . . .
H107 H -0.1091 -0.0802 -0.0984 0.053 Uiso 1 1 calc R . .
C108 C -0.0619(10) 0.0474(8) -0.0666(3) 0.041(3) Uani 1 1 d . . .
H108 H -0.1121 0.0271 -0.0499 0.049 Uiso 1 1 calc R . .
C109 C -0.1274(10) 0.1970(8) -0.0016(3) 0.039(3) Uani 1 1 d . . .
C110 C -0.2398(12) 0.2182(13) -0.0157(4) 0.084(5) Uani 1 1 d . . .
H110 H -0.2481 0.2477 -0.0366 0.101 Uiso 1 1 calc R . .
C111 C -0.3429(14) 0.1952(16) 0.0015(5) 0.104(7) Uani 1 1 d . . .
H111 H -0.4223 0.2075 -0.0082 0.125 Uiso 1 1 calc R . .
C112 C -0.3303(14) 0.1567(13) 0.0309(4) 0.079(5) Uani 1 1 d . . .
H112 H -0.4002 0.1456 0.0428 0.095 Uiso 1 1 calc R . .
C113 C -0.2200(13) 0.1327(11) 0.0446(3) 0.064(4) Uani 1 1 d . . .
H113 H -0.2136 0.1014 0.0653 0.077 Uiso 1 1 calc R . .
C114 C -0.1171(11) 0.1539(10) 0.0284(3) 0.052(3) Uani 1 1 d . . .
H114 H -0.0389 0.1386 0.0381 0.062 Uiso 1 1 calc R . .
O1E O 0.6404(18) -0.1161(11) 0.4411(3) 0.174(8) Uani 1 1 d . . .
H1E H 0.6471 -0.0568 0.4345 0.208 Uiso 1 1 calc R . .
O2E O 0.396(2) 0.621(2) 0.0677(6) 0.229(13) Uani 1 1 d . . .
H2E H 0.4131 0.5986 0.0866 0.275 Uiso 0.50 1 calc PR . .
C1E C 0.611(2) -0.1121(14) 0.4724(4) 0.107(6) Uani 1 1 d . . .
H1E1 H 0.5330 -0.0807 0.4730 0.129 Uiso 1 1 calc R . .
H1E2 H 0.6760 -0.0676 0.4868 0.129 Uiso 1 1 calc R . .
C2E C 0.597(2) -0.2156(15) 0.4863(6) 0.149(9) Uani 1 1 d . . .
H11A H 0.5496 -0.2651 0.4694 0.223 Uiso 1 1 calc R . .
H11B H 0.5530 -0.2113 0.5063 0.223 Uiso 1 1 calc R . .
H11C H 0.6783 -0.2379 0.4923 0.223 Uiso 1 1 calc R . .
C3E C 0.392(4) 0.538(3) 0.0419(6) 0.23(2) Uani 1 1 d . . .
H3E1 H 0.3916 0.5698 0.0203 0.281 Uiso 0.50 1 calc PR . .
H3E2 H 0.3104 0.4977 0.0415 0.281 Uiso 0.50 1 calc PR . .
C4E C 0.484(3) 0.461(4) 0.0413(11) 0.42(5) Uani 1 1 d . . .
H4E1 H 0.5634 0.4951 0.0367 0.637 Uiso 1 1 calc R . .
H4E2 H 0.4553 0.4066 0.0238 0.637 Uiso 1 1 calc R . .
H4E3 H 0.4938 0.4318 0.0631 0.637 Uiso 1 1 calc R . .
O1W O 0.6011(8) 0.0692(8) 0.1109(2) 0.078(3) Uani 1 1 d . . .
O2W O -0.5693(18) 0.139(2) -0.0754(5) 0.240(12) Uani 1 1 d . . .
O3W O -0.2153(10) 0.2269(14) 0.1236(4) 0.149(7) Uani 1 1 d . . .
O4W O -0.0079(7) 0.1192(6) 0.31730(17) 0.050(2) Uani 1 1 d . . .
O5W O -0.2618(19) 0.320(2) 0.1758(15) 0.49(4) Uani 1 1 d . . .
O6W O -0.350(5) 0.337(3) 0.1100(13) 0.66(6) Uani 1 1 d . . .
O7W O -0.604(3) 0.272(2) -0.0563(8) 0.142(11) Uiso 0.50 1 d P . .
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'
As As 0.0499 2.0058 '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'
Os Os -1.2165 7.6030 '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
_geom_angle_publ_flag
O1 Os1 O2 177.6(3) . . ?
O1 Os1 N1 93.4(3) . . ?
O2 Os1 N1 89.0(3) . . ?
O1 Os1 N3 88.5(3) . . ?
O2 Os1 N3 89.1(3) . . ?
N1 Os1 N3 177.5(3) . . ?
O1 Os1 N4 89.7(3) . . ?
O2 Os1 N4 90.0(3) . . ?
N1 Os1 N4 98.9(3) . . ?
N3 Os1 N4 82.8(3) . . ?
O1 Os1 N5 90.0(3) . . ?
O2 Os1 N5 90.3(3) . . ?
N1 Os1 N5 81.3(3) . . ?
N3 Os1 N5 97.0(3) . . ?
N4 Os1 N5 179.6(3) . . ?
O1 Mo1 C11 146.4(3) . . ?
O1 Mo1 C6 90.2(3) . . ?
C11 Mo1 C6 101.6(4) . . ?
O1 Mo1 C8 96.6(3) . . ?
C11 Mo1 C8 91.1(4) . . ?
C6 Mo1 C8 146.0(3) . . ?
O1 Mo1 C9 76.5(3) . . ?
C11 Mo1 C9 74.9(3) . . ?
C6 Mo1 C9 141.8(3) . . ?
C8 Mo1 C9 72.0(3) . . ?
O1 Mo1 C10 146.2(3) . . ?
C11 Mo1 C10 67.4(3) . . ?
C6 Mo1 C10 78.1(3) . . ?
C8 Mo1 C10 78.0(3) . . ?
C9 Mo1 C10 130.6(3) . . ?
O1 Mo1 C5 80.3(3) . . ?
C11 Mo1 C5 74.3(3) . . ?
C6 Mo1 C5 70.8(3) . . ?
C8 Mo1 C5 143.2(3) . . ?
C9 Mo1 C5 71.7(3) . . ?
C10 Mo1 C5 123.6(3) . . ?
O1 Mo1 C7 74.0(3) . . ?
C11 Mo1 C7 139.3(3) . . ?
C6 Mo1 C7 76.3(4) . . ?
C8 Mo1 C7 73.7(3) . . ?
C9 Mo1 C7 131.1(3) . . ?
C10 Mo1 C7 72.5(3) . . ?
C5 Mo1 C7 137.7(3) . . ?
O2 Mo2 C14 84.8(4) . . ?
O2 Mo2 C16 75.0(3) . . ?
C14 Mo2 C16 139.1(4) . . ?
O2 Mo2 C15 83.6(3) . . ?
C14 Mo2 C15 70.4(5) . . ?
C16 Mo2 C15 72.2(4) . . ?
O2 Mo2 C18 146.1(3) . . ?
C14 Mo2 C18 109.0(5) . . ?
C16 Mo2 C18 74.7(4) . . ?
C15 Mo2 C18 73.0(4) . . ?
O2 Mo2 C12 98.1(3) . . ?
C14 Mo2 C12 147.3(4) . . ?
C16 Mo2 C12 71.9(3) . . ?
C15 Mo2 C12 142.3(4) . . ?
C18 Mo2 C12 86.6(3) . . ?
O2 Mo2 C17 145.3(3) . . ?
C14 Mo2 C17 77.9(4) . . ?
C16 Mo2 C17 135.6(4) . . ?
C15 Mo2 C17 117.5(4) . . ?
C18 Mo2 C17 68.6(4) . . ?
C12 Mo2 C17 81.8(4) . . ?
O2 Mo2 C13 75.5(3) . . ?
C14 Mo2 C13 75.2(5) . . ?
C16 Mo2 C13 130.6(4) . . ?
C15 Mo2 C13 141.0(4) . . ?
C18 Mo2 C13 137.3(4) . . ?
C12 Mo2 C13 74.1(4) . . ?
C17 Mo2 C13 71.1(4) . . ?
C31 As1 C25 108.3(4) . . ?
C31 As1 C37 107.4(4) . . ?
C25 As1 C37 111.6(4) . . ?
C31 As1 C19 112.7(4) . . ?
C25 As1 C19 107.7(4) . . ?
C37 As1 C19 109.1(4) . . ?
C61 As2 C49 113.9(4) . . ?
C61 As2 C55 106.7(4) . . ?
C49 As2 C55 108.3(4) . . ?
C61 As2 C43 109.7(4) . . ?
C49 As2 C43 107.3(4) . . ?
C55 As2 C43 110.9(4) . . ?
C73 As3 C79 107.2(4) . . ?
C73 As3 C67 109.2(4) . . ?
C79 As3 C67 113.8(4) . . ?
C73 As3 C85 108.8(4) . . ?
C79 As3 C85 110.0(4) . . ?
C67 As3 C85 107.6(4) . . ?
C103 As4 C91 108.6(4) . . ?
C103 As4 C97 107.0(4) . . ?
C91 As4 C97 111.1(4) . . ?
C103 As4 C109 109.6(4) . . ?
C91 As4 C109 107.6(4) . . ?
C97 As4 C109 113.0(4) . . ?
Os1 O1 Mo1 170.7(3) . . ?
Os1 O2 Mo2 175.1(3) . . ?
C1 N1 Os1 110.8(6) . . ?
C3 N3 Os1 108.8(6) . . ?
C4 N4 Os1 108.9(6) . . ?
C2 N5 Os1 108.9(6) . . ?
N1 C1 C2 109.2(8) . . ?
N5 C2 C1 109.3(8) . . ?
N3 C3 C4 109.9(8) . . ?
N4 C4 C3 107.9(8) . . ?
N2 C5 Mo1 174.6(8) . . ?
N6 C6 Mo1 174.5(9) . . ?
N7 C7 Mo1 170.5(8) . . ?
N8 C8 Mo1 177.1(8) . . ?
N9 C9 Mo1 170.9(8) . . ?
N10 C10 Mo1 179.4(8) . . ?
N11 C11 Mo1 176.0(9) . . ?
N12 C12 Mo2 178.1(8) . . ?
N13 C13 Mo2 170.4(9) . . ?
N14 C14 Mo2 171.5(13) . . ?
N15 C15 Mo2 173.5(12) . . ?
N16 C16 Mo2 169.9(9) . . ?
N17 C17 Mo2 177.4(10) . . ?
N18 C18 Mo2 175.7(9) . . ?
C24 C19 C20 119.3(9) . . ?
C24 C19 As1 119.1(8) . . ?
C20 C19 As1 121.4(8) . . ?
C21 C20 C19 118.5(10) . . ?
C22 C21 C20 121.5(11) . . ?
C21 C22 C23 120.4(11) . . ?
C24 C23 C22 119.2(11) . . ?
C23 C24 C19 121.1(10) . . ?
C26 C25 C30 119.6(9) . . ?
C26 C25 As1 118.6(7) . . ?
C30 C25 As1 121.8(7) . . ?
C25 C26 C27 120.7(10) . . ?
C28 C27 C26 118.1(9) . . ?
C29 C28 C27 122.4(10) . . ?
C28 C29 C30 118.5(10) . . ?
C29 C30 C25 120.5(10) . . ?
C32 C31 C36 119.0(9) . . ?
C32 C31 As1 120.8(7) . . ?
C36 C31 As1 119.8(7) . . ?
C33 C32 C31 121.2(9) . . ?
C32 C33 C34 119.3(10) . . ?
C35 C34 C33 120.1(10) . . ?
C34 C35 C36 120.9(9) . . ?
C35 C36 C31 119.5(10) . . ?
C42 C37 C38 119.0(9) . . ?
C42 C37 As1 120.8(7) . . ?
C38 C37 As1 120.1(8) . . ?
C39 C38 C37 120.0(10) . . ?
C40 C39 C38 120.6(11) . . ?
C39 C40 C41 120.4(10) . . ?
C42 C41 C40 120.1(10) . . ?
C41 C42 C37 119.9(10) . . ?
C44 C43 C48 121.1(9) . . ?
C44 C43 As2 118.4(7) . . ?
C48 C43 As2 120.5(7) . . ?
C45 C44 C43 119.9(10) . . ?
C46 C45 C44 120.3(10) . . ?
C45 C46 C47 119.8(10) . . ?
C46 C47 C48 120.7(9) . . ?
C43 C48 C47 118.0(9) . . ?
C50 C49 C54 121.7(9) . . ?
C50 C49 As2 121.0(7) . . ?
C54 C49 As2 117.3(7) . . ?
C49 C50 C51 117.8(9) . . ?
C52 C51 C50 120.5(10) . . ?
C53 C52 C51 121.7(10) . . ?
C52 C53 C54 119.2(10) . . ?
C49 C54 C53 119.1(10) . . ?
C60 C55 C56 120.8(9) . . ?
C60 C55 As2 118.3(7) . . ?
C56 C55 As2 120.8(7) . . ?
C57 C56 C55 118.4(9) . . ?
C56 C57 C58 121.3(10) . . ?
C57 C58 C59 120.5(10) . . ?
C60 C59 C58 119.3(9) . . ?
C59 C60 C55 119.6(9) . . ?
C66 C61 C62 119.9(8) . . ?
C66 C61 As2 122.8(7) . . ?
C62 C61 As2 117.3(7) . . ?
C63 C62 C61 119.4(9) . . ?
C62 C63 C64 119.3(9) . . ?
C65 C64 C63 122.2(10) . . ?
C64 C65 C66 119.1(9) . . ?
C61 C66 C65 120.0(9) . . ?
C72 C67 C68 120.1(10) . . ?
C72 C67 As3 119.1(8) . . ?
C68 C67 As3 120.7(8) . . ?
C69 C68 C67 117.7(12) . . ?
C70 C69 C68 121.4(12) . . ?
C71 C70 C69 121.3(11) . . ?
C70 C71 C72 119.0(11) . . ?
C67 C72 C71 120.5(10) . . ?
C74 C73 C78 118.7(9) . . ?
C74 C73 As3 118.6(7) . . ?
C78 C73 As3 122.4(7) . . ?
C75 C74 C73 120.1(9) . . ?
C74 C75 C76 120.0(9) . . ?
C77 C76 C75 119.6(9) . . ?
C76 C77 C78 121.1(9) . . ?
C77 C78 C73 120.4(9) . . ?
C80 C79 C84 120.7(9) . . ?
C80 C79 As3 117.1(7) . . ?
C84 C79 As3 122.0(7) . . ?
C79 C80 C81 117.6(9) . . ?
C82 C81 C80 121.5(11) . . ?
C83 C82 C81 119.9(10) . . ?
C84 C83 C82 119.9(10) . . ?
C83 C84 C79 120.4(10) . . ?
C86 C85 C90 120.6(10) . . ?
C86 C85 As3 120.1(8) . . ?
C90 C85 As3 119.3(8) . . ?
C85 C86 C87 120.0(12) . . ?
C86 C87 C88 119.8(12) . . ?
C89 C88 C87 119.1(11) . . ?
C88 C89 C90 121.3(12) . . ?
C89 C90 C85 119.2(12) . . ?
C96 C91 C92 120.6(9) . . ?
C96 C91 As4 120.6(8) . . ?
C92 C91 As4 118.7(8) . . ?
C91 C92 C93 118.0(10) . . ?
C94 C93 C92 120.7(10) . . ?
C93 C94 C95 120.1(11) . . ?
C96 C95 C94 120.3(11) . . ?
C91 C96 C95 120.3(10) . . ?
C102 C97 C98 119.7(11) . . ?
C102 C97 As4 119.4(8) . . ?
C98 C97 As4 120.9(8) . . ?
C97 C98 C99 121.4(11) . . ?
C100 C99 C98 119.1(11) . . ?
C101 C100 C99 119.4(12) . . ?
C100 C101 C102 122.0(14) . . ?
C97 C102 C101 118.2(12) . . ?
C104 C103 C108 120.3(9) . . ?
C104 C103 As4 118.5(8) . . ?
C108 C103 As4 121.2(7) . . ?
C105 C104 C103 119.4(11) . . ?
C104 C105 C106 120.7(12) . . ?
C107 C106 C105 120.9(10) . . ?
C106 C107 C108 119.2(11) . . ?
C107 C108 C103 119.5(10) . . ?
C114 C109 C110 120.1(11) . . ?
C114 C109 As4 118.5(8) . . ?
C110 C109 As4 121.4(9) . . ?
C109 C110 C111 118.4(13) . . ?
C112 C111 C110 120.5(14) . . ?
C111 C112 C113 121.5(14) . . ?
C112 C113 C114 119.5(13) . . ?
C109 C114 C113 119.9(12) . . ?
O1E C1E C2E 113.1(18) . . ?
O2E C3E C4E 124(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Os1 O1 1.826(6) . ?
Os1 O2 1.832(6) . ?
Os1 N1 2.092(8) . ?
Os1 N3 2.100(8) . ?
Os1 N4 2.100(8) . ?
Os1 N5 2.130(8) . ?
Mo1 O1 1.965(6) . ?
Mo1 C11 2.152(10) . ?
Mo1 C6 2.154(10) . ?
Mo1 C8 2.168(10) . ?
Mo1 C9 2.169(9) . ?
Mo1 C10 2.175(9) . ?
Mo1 C5 2.181(9) . ?
Mo1 C7 2.190(10) . ?
Mo2 O2 1.957(6) . ?
Mo2 C14 2.155(12) . ?
Mo2 C16 2.156(10) . ?
Mo2 C15 2.164(11) . ?
Mo2 C18 2.166(10) . ?
Mo2 C12 2.169(10) . ?
Mo2 C17 2.176(10) . ?
Mo2 C13 2.186(12) . ?
As1 C31 1.885(9) . ?
As1 C25 1.898(9) . ?
As1 C37 1.899(9) . ?
As1 C19 1.911(9) . ?
As2 C61 1.894(9) . ?
As2 C49 1.898(9) . ?
As2 C55 1.911(9) . ?
As2 C43 1.917(9) . ?
As3 C73 1.904(9) . ?
As3 C79 1.907(9) . ?
As3 C67 1.908(9) . ?
As3 C85 1.910(10) . ?
As4 C103 1.887(9) . ?
As4 C91 1.908(10) . ?
As4 C97 1.911(10) . ?
As4 C109 1.916(11) . ?
N1 C1 1.491(12) . ?
N2 C5 1.155(11) . ?
N3 C3 1.487(12) . ?
N4 C4 1.477(13) . ?
N5 C2 1.480(12) . ?
N6 C6 1.147(12) . ?
N7 C7 1.140(12) . ?
N8 C8 1.151(12) . ?
N9 C9 1.150(11) . ?
N10 C10 1.145(11) . ?
N11 C11 1.156(12) . ?
N12 C12 1.124(12) . ?
N13 C13 1.141(13) . ?
N14 C14 1.146(15) . ?
N15 C15 1.146(14) . ?
N16 C16 1.150(12) . ?
N17 C17 1.137(12) . ?
N18 C18 1.140(12) . ?
C1 C2 1.496(14) . ?
C3 C4 1.533(15) . ?
C19 C24 1.377(14) . ?
C19 C20 1.391(14) . ?
C20 C21 1.387(15) . ?
C21 C22 1.348(16) . ?
C22 C23 1.374(16) . ?
C23 C24 1.373(15) . ?
C25 C26 1.378(13) . ?
C25 C30 1.385(13) . ?
C26 C27 1.381(14) . ?
C27 C28 1.378(15) . ?
C28 C29 1.371(16) . ?
C29 C30 1.378(14) . ?
C31 C32 1.384(13) . ?
C31 C36 1.401(13) . ?
C32 C33 1.379(14) . ?
C33 C34 1.388(14) . ?
C34 C35 1.375(15) . ?
C35 C36 1.380(14) . ?
C37 C42 1.390(14) . ?
C37 C38 1.393(14) . ?
C38 C39 1.365(15) . ?
C39 C40 1.360(16) . ?
C40 C41 1.373(16) . ?
C41 C42 1.372(14) . ?
C43 C44 1.380(13) . ?
C43 C48 1.384(13) . ?
C44 C45 1.373(14) . ?
C45 C46 1.368(15) . ?
C46 C47 1.389(15) . ?
C47 C48 1.391(14) . ?
C49 C50 1.384(13) . ?
C49 C54 1.392(13) . ?
C50 C51 1.388(13) . ?
C51 C52 1.376(15) . ?
C52 C53 1.359(15) . ?
C53 C54 1.393(14) . ?
C55 C60 1.392(13) . ?
C55 C56 1.395(13) . ?
C56 C57 1.367(14) . ?
C57 C58 1.368(14) . ?
C58 C59 1.392(14) . ?
C59 C60 1.374(13) . ?
C61 C66 1.390(13) . ?
C61 C62 1.411(12) . ?
C62 C63 1.380(14) . ?
C63 C64 1.386(14) . ?
C64 C65 1.363(14) . ?
C65 C66 1.392(13) . ?
C67 C72 1.370(14) . ?
C67 C68 1.382(15) . ?
C68 C69 1.375(18) . ?
C69 C70 1.350(18) . ?
C70 C71 1.340(17) . ?
C71 C72 1.377(15) . ?
C73 C74 1.380(13) . ?
C73 C78 1.398(13) . ?
C74 C75 1.362(14) . ?
C75 C76 1.399(14) . ?
C76 C77 1.347(14) . ?
C77 C78 1.351(13) . ?
C79 C80 1.384(13) . ?
C79 C84 1.387(13) . ?
C80 C81 1.390(15) . ?
C81 C82 1.376(15) . ?
C82 C83 1.370(15) . ?
C83 C84 1.366(14) . ?
C85 C86 1.372(14) . ?
C85 C90 1.390(14) . ?
C86 C87 1.373(15) . ?
C87 C88 1.407(19) . ?
C88 C89 1.37(2) . ?
C89 C90 1.371(16) . ?
C91 C96 1.361(14) . ?
C91 C92 1.394(14) . ?
C92 C93 1.397(15) . ?
C93 C94 1.361(16) . ?
C94 C95 1.370(16) . ?
C95 C96 1.370(15) . ?
C97 C102 1.355(16) . ?
C97 C98 1.364(14) . ?
C98 C99 1.379(16) . ?
C99 C100 1.360(17) . ?
C100 C101 1.345(18) . ?
C101 C102 1.398(18) . ?
C103 C104 1.385(14) . ?
C103 C108 1.393(14) . ?
C104 C105 1.366(15) . ?
C105 C106 1.373(17) . ?
C106 C107 1.372(16) . ?
C107 C108 1.391(15) . ?
C109 C114 1.365(15) . ?
C109 C110 1.365(16) . ?
C110 C111 1.41(2) . ?
C111 C112 1.32(2) . ?
C112 C113 1.351(19) . ?
C113 C114 1.377(16) . ?
O1E C1E 1.33(2) . ?
O2E C3E 1.46(4) . ?
C1E C2E 1.51(2) . ?
C3E C4E 1.50(5) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Os1 O1 Mo1 49(7) . . . . ?
N1 Os1 O1 Mo1 -130(2) . . . . ?
N3 Os1 O1 Mo1 48(2) . . . . ?
N4 Os1 O1 Mo1 131(2) . . . . ?
N5 Os1 O1 Mo1 -49(2) . . . . ?
C11 Mo1 O1 Os1 35(2) . . . . ?
C6 Mo1 O1 Os1 146(2) . . . . ?
C8 Mo1 O1 Os1 -67(2) . . . . ?
C9 Mo1 O1 Os1 2(2) . . . . ?
C10 Mo1 O1 Os1 -145.4(19) . . . . ?
C5 Mo1 O1 Os1 76(2) . . . . ?
C7 Mo1 O1 Os1 -138(2) . . . . ?
O1 Os1 O2 Mo2 134(5) . . . . ?
N1 Os1 O2 Mo2 -46(4) . . . . ?
N3 Os1 O2 Mo2 136(4) . . . . ?
N4 Os1 O2 Mo2 53(4) . . . . ?
N5 Os1 O2 Mo2 -128(4) . . . . ?
C14 Mo2 O2 Os1 138(4) . . . . ?
C16 Mo2 O2 Os1 -6(4) . . . . ?
C15 Mo2 O2 Os1 67(4) . . . . ?
C18 Mo2 O2 Os1 21(4) . . . . ?
C12 Mo2 O2 Os1 -75(4) . . . . ?
C17 Mo2 O2 Os1 -162(4) . . . . ?
C13 Mo2 O2 Os1 -146(4) . . . . ?
O1 Os1 N1 C1 78.8(6) . . . . ?
O2 Os1 N1 C1 -101.2(6) . . . . ?
N3 Os1 N1 C1 -57(8) . . . . ?
N4 Os1 N1 C1 169.0(6) . . . . ?
N5 Os1 N1 C1 -10.7(6) . . . . ?
O1 Os1 N3 C3 79.5(6) . . . . ?
O2 Os1 N3 C3 -100.4(6) . . . . ?
N1 Os1 N3 C3 -144(7) . . . . ?
N4 Os1 N3 C3 -10.3(6) . . . . ?
N5 Os1 N3 C3 169.4(6) . . . . ?
O1 Os1 N4 C4 -106.2(6) . . . . ?
O2 Os1 N4 C4 71.5(6) . . . . ?
N1 Os1 N4 C4 160.5(6) . . . . ?
N3 Os1 N4 C4 -17.7(6) . . . . ?
N5 Os1 N4 C4 -73(65) . . . . ?
O1 Os1 N5 C2 -109.6(6) . . . . ?
O2 Os1 N5 C2 72.7(6) . . . . ?
N1 Os1 N5 C2 -16.2(6) . . . . ?
N3 Os1 N5 C2 161.9(6) . . . . ?
N4 Os1 N5 C2 -143(100) . . . . ?
Os1 N1 C1 C2 35.8(9) . . . . ?
Os1 N5 C2 C1 40.4(9) . . . . ?
N1 C1 C2 N5 -50.6(10) . . . . ?
Os1 N3 C3 C4 35.9(9) . . . . ?
Os1 N4 C4 C3 41.4(9) . . . . ?
N3 C3 C4 N4 -52.0(10) . . . . ?
O1 Mo1 C5 N2 -29(8) . . . . ?
C11 Mo1 C5 N2 129(8) . . . . ?
C6 Mo1 C5 N2 -122(8) . . . . ?
C8 Mo1 C5 N2 59(8) . . . . ?
C9 Mo1 C5 N2 50(8) . . . . ?
C10 Mo1 C5 N2 177(8) . . . . ?
C7 Mo1 C5 N2 -81(8) . . . . ?
O1 Mo1 C6 N6 18(9) . . . . ?
C11 Mo1 C6 N6 166(8) . . . . ?
C8 Mo1 C6 N6 -84(9) . . . . ?
C9 Mo1 C6 N6 86(9) . . . . ?
C10 Mo1 C6 N6 -130(9) . . . . ?
C5 Mo1 C6 N6 98(9) . . . . ?
C7 Mo1 C6 N6 -55(8) . . . . ?
O1 Mo1 C7 N7 -3(5) . . . . ?
C11 Mo1 C7 N7 -177(5) . . . . ?
C6 Mo1 C7 N7 92(5) . . . . ?
C8 Mo1 C7 N7 -105(5) . . . . ?
C9 Mo1 C7 N7 -58(6) . . . . ?
C10 Mo1 C7 N7 173(6) . . . . ?
C5 Mo1 C7 N7 52(6) . . . . ?
O1 Mo1 C8 N8 -79(16) . . . . ?
C11 Mo1 C8 N8 134(16) . . . . ?
C6 Mo1 C8 N8 21(16) . . . . ?
C9 Mo1 C8 N8 -153(16) . . . . ?
C10 Mo1 C8 N8 67(16) . . . . ?
C5 Mo1 C8 N8 -162(16) . . . . ?
C7 Mo1 C8 N8 -8(16) . . . . ?
O1 Mo1 C9 N9 1(5) . . . . ?
C11 Mo1 C9 N9 -161(5) . . . . ?
C6 Mo1 C9 N9 -72(5) . . . . ?
C8 Mo1 C9 N9 103(5) . . . . ?
C10 Mo1 C9 N9 158(5) . . . . ?
C5 Mo1 C9 N9 -83(5) . . . . ?
C7 Mo1 C9 N9 55(5) . . . . ?
O1 Mo1 C10 N10 66(100) . . . . ?
C11 Mo1 C10 N10 -115(100) . . . . ?
C6 Mo1 C10 N10 137(100) . . . . ?
C8 Mo1 C10 N10 -18(100) . . . . ?
C9 Mo1 C10 N10 -71(100) . . . . ?
C5 Mo1 C10 N10 -166(100) . . . . ?
C7 Mo1 C10 N10 58(100) . . . . ?
O1 Mo1 C11 N11 -22(13) . . . . ?
C6 Mo1 C11 N11 -130(13) . . . . ?
C8 Mo1 C11 N11 82(13) . . . . ?
C9 Mo1 C11 N11 11(13) . . . . ?
C10 Mo1 C11 N11 158(13) . . . . ?
C5 Mo1 C11 N11 -64(13) . . . . ?
C7 Mo1 C11 N11 148(13) . . . . ?
O2 Mo2 C12 N12 32(28) . . . . ?
C14 Mo2 C12 N12 125(28) . . . . ?
C16 Mo2 C12 N12 -39(28) . . . . ?
C15 Mo2 C12 N12 -58(28) . . . . ?
C18 Mo2 C12 N12 -114(28) . . . . ?
C17 Mo2 C12 N12 177(100) . . . . ?
C13 Mo2 C12 N12 104(28) . . . . ?
O2 Mo2 C13 N13 3(6) . . . . ?
C14 Mo2 C13 N13 92(6) . . . . ?
C16 Mo2 C13 N13 -52(6) . . . . ?
C15 Mo2 C13 N13 63(6) . . . . ?
C18 Mo2 C13 N13 -166(6) . . . . ?
C12 Mo2 C13 N13 -100(6) . . . . ?
C17 Mo2 C13 N13 174(6) . . . . ?
O2 Mo2 C14 N14 2(9) . . . . ?
C16 Mo2 C14 N14 62(9) . . . . ?
C15 Mo2 C14 N14 87(9) . . . . ?
C18 Mo2 C14 N14 150(9) . . . . ?
C12 Mo2 C14 N14 -95(9) . . . . ?
C17 Mo2 C14 N14 -148(9) . . . . ?
C13 Mo2 C14 N14 -75(9) . . . . ?
O2 Mo2 C15 N15 -29(9) . . . . ?
C14 Mo2 C15 N15 -116(9) . . . . ?
C16 Mo2 C15 N15 47(9) . . . . ?
C18 Mo2 C15 N15 126(9) . . . . ?
C12 Mo2 C15 N15 66(9) . . . . ?
C17 Mo2 C15 N15 180(100) . . . . ?
C13 Mo2 C15 N15 -86(9) . . . . ?
O2 Mo2 C16 N16 -5(5) . . . . ?
C14 Mo2 C16 N16 -68(5) . . . . ?
C15 Mo2 C16 N16 -93(5) . . . . ?
C18 Mo2 C16 N16 -170(5) . . . . ?
C12 Mo2 C16 N16 99(5) . . . . ?
C17 Mo2 C16 N16 156(5) . . . . ?
C13 Mo2 C16 N16 50(5) . . . . ?
O2 Mo2 C17 N17 -36(22) . . . . ?
C14 Mo2 C17 N17 26(22) . . . . ?
C16 Mo2 C17 N17 178(100) . . . . ?
C15 Mo2 C17 N17 86(22) . . . . ?
C18 Mo2 C17 N17 142(22) . . . . ?
C12 Mo2 C17 N17 -128(22) . . . . ?
C13 Mo2 C17 N17 -52(22) . . . . ?
O2 Mo2 C18 N18 -30(13) . . . . ?
C14 Mo2 C18 N18 -140(12) . . . . ?
C16 Mo2 C18 N18 -3(12) . . . . ?
C15 Mo2 C18 N18 -78(12) . . . . ?
C12 Mo2 C18 N18 70(12) . . . . ?
C17 Mo2 C18 N18 152(12) . . . . ?
C13 Mo2 C18 N18 132(12) . . . . ?
C31 As1 C19 C24 169.0(8) . . . . ?
C25 As1 C19 C24 49.5(9) . . . . ?
C37 As1 C19 C24 -71.8(9) . . . . ?
C31 As1 C19 C20 -15.9(10) . . . . ?
C25 As1 C19 C20 -135.4(8) . . . . ?
C37 As1 C19 C20 103.3(9) . . . . ?
C24 C19 C20 C21 -1.7(16) . . . . ?
As1 C19 C20 C21 -176.8(8) . . . . ?
C19 C20 C21 C22 0.0(17) . . . . ?
C20 C21 C22 C23 1.0(18) . . . . ?
C21 C22 C23 C24 -0.4(18) . . . . ?
C22 C23 C24 C19 -1.2(18) . . . . ?
C20 C19 C24 C23 2.3(17) . . . . ?
As1 C19 C24 C23 177.5(9) . . . . ?
C31 As1 C25 C26 -68.3(8) . . . . ?
C37 As1 C25 C26 173.6(7) . . . . ?
C19 As1 C25 C26 53.9(9) . . . . ?
C31 As1 C25 C30 111.4(8) . . . . ?
C37 As1 C25 C30 -6.6(9) . . . . ?
C19 As1 C25 C30 -126.4(8) . . . . ?
C30 C25 C26 C27 -2.7(15) . . . . ?
As1 C25 C26 C27 177.1(8) . . . . ?
C25 C26 C27 C28 1.7(15) . . . . ?
C26 C27 C28 C29 0.1(17) . . . . ?
C27 C28 C29 C30 -0.8(17) . . . . ?
C28 C29 C30 C25 -0.2(16) . . . . ?
C26 C25 C30 C29 1.9(15) . . . . ?
As1 C25 C30 C29 -177.8(8) . . . . ?
C25 As1 C31 C32 5.6(9) . . . . ?
C37 As1 C31 C32 126.3(8) . . . . ?
C19 As1 C31 C32 -113.5(8) . . . . ?
C25 As1 C31 C36 -167.6(7) . . . . ?
C37 As1 C31 C36 -46.9(9) . . . . ?
C19 As1 C31 C36 73.3(8) . . . . ?
C36 C31 C32 C33 -1.4(15) . . . . ?
As1 C31 C32 C33 -174.6(8) . . . . ?
C31 C32 C33 C34 0.1(15) . . . . ?
C32 C33 C34 C35 -0.1(16) . . . . ?
C33 C34 C35 C36 1.3(16) . . . . ?
C34 C35 C36 C31 -2.6(15) . . . . ?
C32 C31 C36 C35 2.6(14) . . . . ?
As1 C31 C36 C35 175.9(8) . . . . ?
C31 As1 C37 C42 -27.7(9) . . . . ?
C25 As1 C37 C42 90.9(8) . . . . ?
C19 As1 C37 C42 -150.2(8) . . . . ?
C31 As1 C37 C38 148.7(8) . . . . ?
C25 As1 C37 C38 -92.7(9) . . . . ?
C19 As1 C37 C38 26.2(9) . . . . ?
C42 C37 C38 C39 -1.7(17) . . . . ?
As1 C37 C38 C39 -178.2(9) . . . . ?
C37 C38 C39 C40 0.3(19) . . . . ?
C38 C39 C40 C41 0(2) . . . . ?
C39 C40 C41 C42 1.3(18) . . . . ?
C40 C41 C42 C37 -2.8(16) . . . . ?
C38 C37 C42 C41 3.0(15) . . . . ?
As1 C37 C42 C41 179.5(8) . . . . ?
C61 As2 C43 C44 -61.0(8) . . . . ?
C49 As2 C43 C44 63.2(8) . . . . ?
C55 As2 C43 C44 -178.7(7) . . . . ?
C61 As2 C43 C48 120.3(8) . . . . ?
C49 As2 C43 C48 -115.4(8) . . . . ?
C55 As2 C43 C48 2.7(9) . . . . ?
C48 C43 C44 C45 -1.7(15) . . . . ?
As2 C43 C44 C45 179.7(7) . . . . ?
C43 C44 C45 C46 0.6(15) . . . . ?
C44 C45 C46 C47 0.3(16) . . . . ?
C45 C46 C47 C48 -0.2(15) . . . . ?
C44 C43 C48 C47 1.7(14) . . . . ?
As2 C43 C48 C47 -179.7(7) . . . . ?
C46 C47 C48 C43 -0.8(14) . . . . ?
C61 As2 C49 C50 -15.2(9) . . . . ?
C55 As2 C49 C50 103.4(8) . . . . ?
C43 As2 C49 C50 -136.8(8) . . . . ?
C61 As2 C49 C54 167.9(7) . . . . ?
C55 As2 C49 C54 -73.6(8) . . . . ?
C43 As2 C49 C54 46.2(8) . . . . ?
C54 C49 C50 C51 0.3(14) . . . . ?
As2 C49 C50 C51 -176.5(7) . . . . ?
C49 C50 C51 C52 1.5(15) . . . . ?
C50 C51 C52 C53 -2.0(17) . . . . ?
C51 C52 C53 C54 0.7(17) . . . . ?
C50 C49 C54 C53 -1.6(15) . . . . ?
As2 C49 C54 C53 175.4(8) . . . . ?
C52 C53 C54 C49 1.1(16) . . . . ?
C61 As2 C55 C60 -60.8(8) . . . . ?
C49 As2 C55 C60 176.2(7) . . . . ?
C43 As2 C55 C60 58.6(8) . . . . ?
C61 As2 C55 C56 118.7(8) . . . . ?
C49 As2 C55 C56 -4.4(9) . . . . ?
C43 As2 C55 C56 -121.9(8) . . . . ?
C60 C55 C56 C57 1.6(15) . . . . ?
As2 C55 C56 C57 -177.8(8) . . . . ?
C55 C56 C57 C58 -1.3(16) . . . . ?
C56 C57 C58 C59 0.0(17) . . . . ?
C57 C58 C59 C60 1.0(17) . . . . ?
C58 C59 C60 C55 -0.7(16) . . . . ?
C56 C55 C60 C59 -0.6(15) . . . . ?
As2 C55 C60 C59 178.8(8) . . . . ?
C49 As2 C61 C66 -119.0(7) . . . . ?
C55 As2 C61 C66 121.5(8) . . . . ?
C43 As2 C61 C66 1.3(8) . . . . ?
C49 As2 C61 C62 64.4(8) . . . . ?
C55 As2 C61 C62 -55.1(7) . . . . ?
C43 As2 C61 C62 -175.3(6) . . . . ?
C66 C61 C62 C63 -0.3(13) . . . . ?
As2 C61 C62 C63 176.4(7) . . . . ?
C61 C62 C63 C64 1.1(14) . . . . ?
C62 C63 C64 C65 -2.4(15) . . . . ?
C63 C64 C65 C66 2.7(14) . . . . ?
C62 C61 C66 C65 0.6(13) . . . . ?
As2 C61 C66 C65 -175.9(7) . . . . ?
C64 C65 C66 C61 -1.8(14) . . . . ?
C73 As3 C67 C72 70.9(9) . . . . ?
C79 As3 C67 C72 -169.3(8) . . . . ?
C85 As3 C67 C72 -47.0(9) . . . . ?
C73 As3 C67 C68 -105.5(10) . . . . ?
C79 As3 C67 C68 14.3(11) . . . . ?
C85 As3 C67 C68 136.5(10) . . . . ?
C72 C67 C68 C69 1(2) . . . . ?
As3 C67 C68 C69 177.0(12) . . . . ?
C67 C68 C69 C70 -2(3) . . . . ?
C68 C69 C70 C71 2(3) . . . . ?
C69 C70 C71 C72 -1(2) . . . . ?
C68 C67 C72 C71 0.9(17) . . . . ?
As3 C67 C72 C71 -175.6(9) . . . . ?
C70 C71 C72 C67 -0.8(19) . . . . ?
C79 As3 C73 C74 58.6(9) . . . . ?
C67 As3 C73 C74 -177.6(8) . . . . ?
C85 As3 C73 C74 -60.4(9) . . . . ?
C79 As3 C73 C78 -128.0(8) . . . . ?
C67 As3 C73 C78 -4.2(10) . . . . ?
C85 As3 C73 C78 113.0(8) . . . . ?
C78 C73 C74 C75 2.0(16) . . . . ?
As3 C73 C74 C75 175.7(9) . . . . ?
C73 C74 C75 C76 -0.1(17) . . . . ?
C74 C75 C76 C77 -1.0(17) . . . . ?
C75 C76 C77 C78 -0.1(16) . . . . ?
C76 C77 C78 C73 2.1(16) . . . . ?
C74 C73 C78 C77 -3.1(15) . . . . ?
As3 C73 C78 C77 -176.5(8) . . . . ?
C73 As3 C79 C80 56.2(8) . . . . ?
C67 As3 C79 C80 -64.7(8) . . . . ?
C85 As3 C79 C80 174.4(7) . . . . ?
C73 As3 C79 C84 -119.4(8) . . . . ?
C67 As3 C79 C84 119.7(8) . . . . ?
C85 As3 C79 C84 -1.3(9) . . . . ?
C84 C79 C80 C81 -1.5(14) . . . . ?
As3 C79 C80 C81 -177.2(7) . . . . ?
C79 C80 C81 C82 2.1(15) . . . . ?
C80 C81 C82 C83 -1.7(16) . . . . ?
C81 C82 C83 C84 0.6(17) . . . . ?
C82 C83 C84 C79 0.0(16) . . . . ?
C80 C79 C84 C83 0.5(15) . . . . ?
As3 C79 C84 C83 175.9(8) . . . . ?
C73 As3 C85 C86 177.4(8) . . . . ?
C79 As3 C85 C86 60.2(9) . . . . ?
C67 As3 C85 C86 -64.3(9) . . . . ?
C73 As3 C85 C90 -4.2(9) . . . . ?
C79 As3 C85 C90 -121.4(8) . . . . ?
C67 As3 C85 C90 114.0(8) . . . . ?
C90 C85 C86 C87 1.2(15) . . . . ?
As3 C85 C86 C87 179.5(8) . . . . ?
C85 C86 C87 C88 -2.0(16) . . . . ?
C86 C87 C88 C89 2.4(16) . . . . ?
C87 C88 C89 C90 -1.9(17) . . . . ?
C88 C89 C90 C85 1.0(17) . . . . ?
C86 C85 C90 C89 -0.6(15) . . . . ?
As3 C85 C90 C89 -179.0(8) . . . . ?
C103 As4 C91 C96 -0.2(10) . . . . ?
C97 As4 C91 C96 -117.6(9) . . . . ?
C109 As4 C91 C96 118.2(9) . . . . ?
C103 As4 C91 C92 -178.3(9) . . . . ?
C97 As4 C91 C92 64.3(10) . . . . ?
C109 As4 C91 C92 -59.8(10) . . . . ?
C96 C91 C92 C93 -2.6(18) . . . . ?
As4 C91 C92 C93 175.5(9) . . . . ?
C91 C92 C93 C94 2.1(19) . . . . ?
C92 C93 C94 C95 -1(2) . . . . ?
C93 C94 C95 C96 0(2) . . . . ?
C92 C91 C96 C95 1.9(17) . . . . ?
As4 C91 C96 C95 -176.2(9) . . . . ?
C94 C95 C96 C91 -0.5(19) . . . . ?
C103 As4 C97 C102 -116.9(10) . . . . ?
C91 As4 C97 C102 1.4(11) . . . . ?
C109 As4 C97 C102 122.5(10) . . . . ?
C103 As4 C97 C98 60.9(10) . . . . ?
C91 As4 C97 C98 179.2(9) . . . . ?
C109 As4 C97 C98 -59.7(10) . . . . ?
C102 C97 C98 C99 2.2(18) . . . . ?
As4 C97 C98 C99 -175.6(9) . . . . ?
C97 C98 C99 C100 -0.8(18) . . . . ?
C98 C99 C100 C101 -1.4(19) . . . . ?
C99 C100 C101 C102 2(2) . . . . ?
C98 C97 C102 C101 -1(2) . . . . ?
As4 C97 C102 C101 176.6(11) . . . . ?
C100 C101 C102 C97 -1(2) . . . . ?
C91 As4 C103 C104 -84.2(9) . . . . ?
C97 As4 C103 C104 35.7(9) . . . . ?
C109 As4 C103 C104 158.6(8) . . . . ?
C91 As4 C103 C108 93.4(9) . . . . ?
C97 As4 C103 C108 -146.7(8) . . . . ?
C109 As4 C103 C108 -23.8(9) . . . . ?
C108 C103 C104 C105 -0.7(17) . . . . ?
As4 C103 C104 C105 176.9(9) . . . . ?
C103 C104 C105 C106 0.7(19) . . . . ?
C104 C105 C106 C107 -1(2) . . . . ?
C105 C106 C107 C108 0.5(18) . . . . ?
C106 C107 C108 C103 -0.5(16) . . . . ?
C104 C103 C108 C107 0.7(15) . . . . ?
As4 C103 C108 C107 -176.9(8) . . . . ?
C103 As4 C109 C114 112.5(9) . . . . ?
C91 As4 C109 C114 -5.3(10) . . . . ?
C97 As4 C109 C114 -128.3(9) . . . . ?
C103 As4 C109 C110 -67.7(12) . . . . ?
C91 As4 C109 C110 174.5(12) . . . . ?
C97 As4 C109 C110 51.5(13) . . . . ?
C114 C109 C110 C111 0(2) . . . . ?
As4 C109 C110 C111 -179.3(14) . . . . ?
C109 C110 C111 C112 2(3) . . . . ?
C110 C111 C112 C113 -4(3) . . . . ?
C111 C112 C113 C114 4(3) . . . . ?
C110 C109 C114 C113 -1(2) . . . . ?
As4 C109 C114 C113 179.2(10) . . . . ?
C112 C113 C114 C109 -1(2) . . . . ?
