#------------------------------------------------------------------------------
#$Date: 2022-05-05 01:17:46 +0300 (Thu, 05 May 2022) $
#$Revision: 274897 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/69/1566916.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_1566916
loop_
_publ_author_name
'Kirk, Ryan M.'
'Hill, Anthony'
_publ_section_title
;
 Arsolyl-Supported Intermetallic Dative Bonding
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC01200F
_journal_year                    2022
_chemical_formula_moiety
'0.25(C52 H48 As4 Au3 Co4 F10 O8), 0.5(Au C12 F10), 0.25(C20 H24 As2 Au Co2 O4), 0.25(C32 H24 As2 Au2 Co2 F10 O4)'
_chemical_formula_sum            'C32 H24 As2 Au2 Co2 F10 O4'
_chemical_formula_weight         1324.14
_chemical_properties_physical    Air-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-12-24
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2021-12-24 deposited with the CCDC.	2022-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                100.2830(10)
_cell_angle_beta                 104.7800(10)
_cell_angle_gamma                91.0780(10)
_cell_formula_units_Z            8
_cell_length_a                   15.12080(10)
_cell_length_b                   21.7675(2)
_cell_length_c                   23.8537(2)
_cell_measurement_reflns_used    74244
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      73.0070
_cell_measurement_theta_min      3.8480
_cell_volume                     7452.43(11)
_computing_cell_refinement       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.82a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1297
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -55.00  32.00   1.00    2.00    --  -36.64  38.00-120.00   87
  2  ω    -85.00  -7.00   1.00    2.00    --  -36.64 -19.00  30.00   78
  3  ω    -56.00  27.00   1.00    2.00    --  -36.64  38.00 120.00   83
  4  ω    -46.00  27.00   1.00    2.00    --  -36.64  38.00  30.00   73
  5  ω     18.00 104.00   1.00    2.00    --   36.64  38.00-120.00   86
  6  ω      3.00  29.00   1.00    2.00    --   36.64  90.00 -47.63   26
  7  ω    -20.00  35.00   1.00    2.00    --   36.64 -77.00 -60.00   55
  8  ω    -19.00  26.00   1.00    2.00    --   36.64 -77.00 150.00   45
  9  ω      4.00  30.00   1.00    2.00    --   36.64  89.00 113.26   26
 10  ω     43.00  89.00   1.00    2.00    --   36.64-125.00 150.00   46
 11  ω     18.00  92.00   1.00    2.00    --   36.64  38.00 -30.00   74
 12  ω      4.00  30.00   1.00    2.00    --   36.64  89.00-111.76   26
 13  ω      5.00  30.00   1.00    2.00    --   36.64  85.00 -69.85   25
 14  ω     19.00  90.00   1.00    2.00    --   36.64  38.00  30.00   71
 15  ω     11.00  40.00   1.00    2.00    --   36.64  77.00-120.57   29
 16  ω     15.00  42.00   1.00    2.00    --   36.64  78.00  28.60   27
 17  ω      9.00  42.00   1.00    2.00    --   36.64  80.00 170.34   33
 18  ω     22.00  89.00   1.00    2.00    --   36.64  57.00  90.00   67
 19  ω     50.00  77.00   1.00    2.00    --   36.64-125.00  30.00   27
 20  ω     35.00  60.00   1.00    2.00    --   36.64 -77.00 150.00   25
 21  ω     22.00  87.00   1.00    2.00    --   36.64  72.00 146.31   65
 22  ω     21.00  76.00   1.00    2.00    --   36.64 -99.00 -90.00   55
 23  ω      4.00  30.00   1.00    2.00    --   36.64  89.00  74.87   26
 24  ω     14.00  45.00   1.00    2.00    --   36.64  70.00 -17.95   31
 25  ω    136.00 162.00   1.00   12.00    --  109.00  30.00  90.00   26
 26  ω     42.00  93.00   1.00   12.00    --  109.00-111.00  60.00   51
 27  ω    149.00 174.00   1.00   12.00    --  109.00  61.00 -60.00   25
 28  ω     89.00 122.00   1.00   12.00    --  109.00  30.00  90.00   33
 29  ω     91.00 117.00   1.00   12.00    --  109.00  61.00-150.00   26
 30  ω    139.00 176.00   1.00   12.00    --  109.00  61.00-150.00   37
 31  ω     82.00 122.00   1.00   12.00    --  109.00 -49.00-151.05   40
 32  ω     91.00 117.00   1.00   12.00    --  109.00  61.00 -60.00   26
 33  ω     44.00 107.00   1.00   12.00    --  109.00-111.00  30.00   63
 34  ω    136.00 166.00   1.00   12.00    --  109.00  30.00 120.00   30
 35  ω     88.00 116.00   1.00   12.00    --  109.00  30.00 120.00   28
 36  ω     92.00 125.00   1.00   12.00    --  109.00  45.00  30.00   33
 37  ω     56.00  94.00   1.00   12.00    --  109.00-111.00 120.00   38
 38  ω     78.00 104.00   1.00   12.00    --  109.00 -95.00-150.00   26
 39  ω     41.00  67.00   1.00   12.00    --  109.00 -49.00-151.05   26
 40  ω     42.00  68.00   1.00   12.00    --  109.00 -95.00-150.00   26
 41  ω     92.00 133.00   1.00   12.00    --  109.00  45.00 150.00   41
 42  ω    124.00 150.00   1.00   12.00    --  109.00  30.00   0.00   26
 43  ω     92.00 137.00   1.00   12.00    --  109.00  45.00-120.00   45
 44  ω    133.00 175.00   1.00   12.00    --  109.00  61.00-120.00   42
 45  ω     92.00 118.00   1.00   12.00    --  109.00  45.00 -60.00   26
 46  ω    138.00 172.00   1.00   12.00    --  109.00  45.00 -60.00   34
 47  ω     92.00 136.00   1.00   12.00    --  109.00  45.00 -90.00   44
 48  ω    109.00 163.00   1.00   12.00    --  109.00 111.00 -30.00   54
 49  ω     92.00 124.00   1.00   12.00    --  109.00  45.00  90.00   32
 50  ω     92.00 144.00   1.00   12.00    --  109.00  45.00-150.00   52
 51  ω    131.00 173.00   1.00   12.00    --  109.00  61.00-180.00   42
 52  ω     92.00 134.00   1.00   12.00    --  109.00  45.00 120.00   42
 53  ω     92.00 118.00   1.00   12.00    --  109.00  45.00 -30.00   26
 54  ω     92.00 124.00   1.00   12.00    --  109.00  45.00  60.00   32
 55  ω    142.00 177.00   1.00   12.00    --  109.00  45.00  60.00   35
 56  ω     92.00 127.00   1.00   12.00    --  109.00  45.00   0.00   35
 57  ω     92.00 126.00   1.00   12.00    --  109.00  45.00-180.00   34
 58  ω    135.00 176.00   1.00   12.00    --  109.00  45.00-180.00   41
 59  ω     40.00 109.00   1.00   12.00    --  109.00-111.00-150.00   69
 60  ω     91.00 117.00   1.00   12.00    --  109.00  61.00-120.00   26
 61  ω     91.00 117.00   1.00   12.00    --  109.00  61.00-180.00   26
 62  ω     91.00 117.00   1.00   12.00    --  109.00  61.00  90.00   26
 63  ω    131.00 176.00   1.00   12.00    --  109.00  30.00 -30.00   45
 64  ω    140.00 165.00   1.00   12.00    --  109.00  61.00 -30.00   25
 65  ω    131.00 171.00   1.00   12.00    --  109.00  61.00  30.00   40
 66  ω     98.00 135.00   1.00   12.00    --  109.00 -82.00-128.87   37
 67  ω     91.00 117.00   1.00   12.00    --  109.00  61.00 -30.00   26
 68  ω     88.00 118.00   1.00   12.00    --  109.00  30.00  30.00   30
 69  ω     91.00 120.00   1.00   12.00    --  109.00  61.00  30.00   29
 70  ω     88.00 149.00   1.00   12.00    --  109.00  30.00-120.00   61
 71  ω    131.00 161.00   1.00   12.00    --  109.00  30.00 -90.00   30
 72  ω     42.00  94.00   1.00   12.00    --  109.00 -95.00 120.00   52
 73  ω     88.00 115.00   1.00   12.00    --  109.00  30.00 -90.00   27
 74  ω    132.00 176.00   1.00   12.00    --  109.00  61.00   0.00   44
 75  ω     88.00 120.00   1.00   12.00    --  109.00  30.00 150.00   32
 76  ω    147.00 173.00   1.00   12.00    --  109.00  30.00  30.00   26
 77  ω     88.00 151.00   1.00   12.00    --  109.00  30.00-180.00   63
 78  ω     90.00 117.00   1.00   12.00    --  109.00  30.00 -30.00   27
 79  ω    151.00 176.00   1.00   12.00    --  109.00  61.00  60.00   25
 80  ω     90.00 123.00   1.00   12.00    --  109.00  30.00  60.00   33
 81  ω    139.00 165.00   1.00   12.00    --  109.00  30.00  60.00   26
 82  ω     43.00  75.00   1.00   12.00    --  109.00-111.00   0.00   32
 83  ω     84.00 109.00   1.00   12.00    --  109.00-111.00   0.00   25
 84  ω     89.00 116.00   1.00   12.00    --  109.00  30.00 -60.00   27
 85  ω     91.00 117.00   1.00   12.00    --  109.00  61.00  60.00   26
 86  ω     89.00 118.00   1.00   12.00    --  109.00  30.00   0.00   29
 87  ω     91.00 117.00   1.00   12.00    --  109.00  61.00   0.00   26
 88  ω     41.00  90.00   1.00   12.00    --  109.00 -45.00 -30.00   49
 89  ω    101.00 126.00   1.00   12.00    --  109.00 -45.00 -30.00   25
 90  ω     40.00 109.00   1.00   12.00    --  109.00-111.00-180.00   69
 91  ω     89.00 116.00   1.00   12.00    --  109.00  30.00-150.00   27
 92  ω     40.00 109.00   1.00   12.00    --  109.00-111.00  90.00   69
 93  ω    124.00 175.00   1.00   12.00    --  109.00  61.00 -90.00   51
 94  ω     43.00 109.00   1.00   12.00    --  109.00-111.00 -60.00   66
 95  ω    142.00 172.00   1.00   12.00    --  109.00  61.00 120.00   30
 96  ω    143.00 168.00   1.00   12.00    --  109.00  61.00 150.00   25
 97  ω     91.00 117.00   1.00   12.00    --  109.00  61.00 120.00   26
 98  ω    127.00 174.00   1.00   12.00    --  109.00  61.00  90.00   47
 99  ω     91.00 117.00   1.00   12.00    --  109.00  61.00 150.00   26
100  ω     42.00  68.00   1.00   12.00    --  109.00 -77.00 120.00   26
101  ω     93.00 128.00   1.00   12.00    --  109.00 -77.00 120.00   35
102  ω     91.00 118.00   1.00   12.00    --  109.00  61.00 -90.00   27
103  ω     43.00  85.00   1.00   12.00    --  109.00 -82.00-128.87   42
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0316064000
_diffrn_orient_matrix_UB_12      0.0004953000
_diffrn_orient_matrix_UB_13      -0.0564259000
_diffrn_orient_matrix_UB_21      0.0998875000
_diffrn_orient_matrix_UB_22      -0.0045962000
_diffrn_orient_matrix_UB_23      0.0346808000
_diffrn_orient_matrix_UB_31      -0.0133227000
_diffrn_orient_matrix_UB_32      -0.0719458000
_diffrn_orient_matrix_UB_33      -0.0155304000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            149532
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.147
_diffrn_reflns_theta_min         3.551
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    24.075
_exptl_absorpt_correction_T_max  0.20750
_exptl_absorpt_correction_T_min  0.10891
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.360
_exptl_crystal_description       needle
_exptl_crystal_F_000             4928
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane/diethyl ether'
_exptl_crystal_size_max          0.346
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.08
_exptl_crystal_size_rad          0.068
_refine_diff_density_max         1.215
_refine_diff_density_min         -1.823
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1905
_refine_ls_number_reflns         29642
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0265
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0326P)²+3.0502P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0631
_reflns_Friedel_coverage         0.000
_reflns_number_gt                26210
_reflns_number_total             29642
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc01200f2.cif
_cod_data_source_block           rmk_209_d_scale
_cod_database_code               1566916
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C32 H24 As2 Au2 Co2 F10 O4'
_chemical_oxdiff_usercomment     'DCM/SiMe4 at -20 '
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 97.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     73.83
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C20B(H20J,H20K,H20L), C20A(H20G,H20H,H20I), C20C(H20A,H20B,H20C), C17B(H17J,
 H17K,H17L), C10C(H10A,H10B,H10C), C11C(H11A,H11B,H11C), C9B(H9BA,H9BB,H9BC),
 C17C(H17A,H17B,H17C), C19C(H19A,H19B,H19C), C20D(H20D,H20E,H20F), C17A(H17G,
 H17H,H17I), C18C(H18A,H18B,H18C), C12B(H12J,H12K,H12L), C17D(H17D,H17E,H17F),
 C18A(H18G,H18H,H18I), C19B(H19J,H19K,H19L), C18B(H18J,H18K,H18L), C11A(H11G,
 H11H,H11I), C9A(H9AA,H9AB,H9AC), C10A(H10G,H10H,H10I), C12C(H12A,H12B,H12C),
 C12A(H12G,H12H,H12I), C19A(H19G,H19H,H19I), C9C(H9CA,H9CB,H9CC), C12D(H12D,
 H12E,H12F), C9D(H9DA,H9DB,H9DC), C19D(H19D,H19E,H19F), C18D(H18D,H18E,H18F),
 C10B(H10J,H10K,H10L), C11B(H11J,H11K,H11L), C10D(H10D,H10E,H10F), C11D(H11D,
 H11E,H11F)
;
_ins_header
;
TITL RMK_209_D_scale in P-1 
REM P-1 (#2 in standard setting)
CELL 1.54184  15.120766  21.767457  23.853686 100.2834 104.7802  91.0781
ZERR    8.00   0.000108   0.000176   0.000174   0.0006   0.0006   0.0006
LATT  1
SFAC C H O F Co As Au
UNIT 256.00 192.00 32.00 80.00 16.00 16.00 16.00
TREF
HKLF 4
END
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 5.472
_oxdiff_exptl_absorpt_empirical_full_min 0.649
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au2D Au 0.23441(2) 0.88765(2) 0.23655(2) 0.03223(4) Uani 1 1 d . . . . .
Au2B Au 0.19479(2) 0.38607(2) 0.23242(2) 0.03340(4) Uani 1 1 d . . . . .
Au1B Au 0.31182(2) 0.62825(2) -0.25567(2) 0.03370(4) Uani 1 1 d . . . . .
Au04 Au -0.25272(2) 0.62446(2) 0.26561(2) 0.03422(4) Uani 1 1 d . . . . .
Au1C Au 0.25939(2) 0.63371(2) 0.23740(2) 0.03334(4) Uani 1 1 d . . . . .
Au1D Au 0.28733(2) 1.13736(2) 0.25844(2) 0.03523(4) Uani 1 1 d . . . . .
Au1A Au 0.76542(2) 0.87629(2) 0.26003(2) 0.03490(4) Uani 1 1 d . . . . .
Au2A Au 0.75598(2) 1.12683(2) 0.25315(2) 0.03895(4) Uani 1 1 d . . . . .
As2B As 0.31924(3) 0.51921(2) -0.23355(2) 0.03149(8) Uani 1 1 d . . . . .
As2C As 0.28678(3) 0.52625(2) 0.26089(2) 0.03119(8) Uani 1 1 d . . . . .
As1B As 0.31063(3) 0.73646(2) -0.27950(2) 0.03378(9) Uani 1 1 d . . . . .
As2D As 0.29790(3) 1.02851(2) 0.28071(2) 0.03359(9) Uani 1 1 d . . . . .
As2A As 0.79670(3) 0.77013(2) 0.28606(2) 0.03486(9) Uani 1 1 d . . . . .
As1D As 0.28006(3) 1.24465(2) 0.23276(2) 0.03568(9) Uani 1 1 d . . . . .
As1A As 0.73575(3) 0.98338(2) 0.23579(2) 0.03983(10) Uani 1 1 d . . . . .
As1C As 0.22829(3) 0.74214(2) 0.21581(2) 0.04064(10) Uani 1 1 d . . . . .
Co2C Co 0.31065(4) 0.61533(3) 0.34802(2) 0.02830(12) Uani 1 1 d . . . . .
Co1C Co 0.15860(4) 0.65144(3) 0.13412(3) 0.02928(12) Uani 1 1 d . . . . .
Co1A Co 0.68158(4) 0.89292(3) 0.15125(3) 0.03034(12) Uani 1 1 d . . . . .
Co2B Co 0.30204(4) 0.60496(3) -0.15135(3) 0.02942(12) Uani 1 1 d . . . . .
Co2A Co 0.79080(4) 0.85653(3) 0.37056(3) 0.02943(12) Uani 1 1 d . . . . .
Co1B Co 0.26266(5) 0.64722(3) -0.36628(3) 0.03589(14) Uani 1 1 d . . . . .
Co2D Co 0.27303(4) 1.11250(3) 0.36191(3) 0.03462(13) Uani 1 1 d . . . . .
Co1D Co 0.22920(6) 1.15476(4) 0.14729(3) 0.04348(16) Uani 1 1 d . . . . .
F6D F 0.44543(17) 0.89515(16) 0.31181(12) 0.0500(7) Uani 1 1 d . . . . .
F6B F 0.38890(18) 0.39276(15) 0.32762(12) 0.0494(6) Uani 1 1 d . . . . .
F6C F -0.03889(17) 0.64224(14) 0.32675(12) 0.0474(6) Uani 1 1 d . . . . .
F1B F 0.00148(17) 0.39604(16) 0.13766(12) 0.0513(7) Uani 1 1 d . . . . .
F9D F 0.2329(2) 0.82246(15) 0.44390(12) 0.0525(7) Uani 1 1 d . . . . .
F1D F 0.02382(18) 0.87108(16) 0.15983(12) 0.0510(7) Uani 1 1 d . . . . .
F8D F 0.4200(2) 0.83074(16) 0.48436(11) 0.0533(7) Uani 1 1 d . . . . .
F10D F 0.15336(17) 0.85110(16) 0.33855(12) 0.0527(7) Uani 1 1 d . . . . .
F1C F -0.4685(2) 0.61303(18) 0.19419(14) 0.0613(8) Uani 1 1 d . . . . .
F9C F -0.2004(3) 0.55244(18) 0.47701(13) 0.0647(9) Uani 1 1 d . . . . .
F10A F 0.63823(18) 1.11325(17) 0.34397(12) 0.0542(7) Uani 1 1 d . . . . .
F7D F 0.52365(18) 0.86831(17) 0.41826(12) 0.0555(7) Uani 1 1 d . . . . .
F7C F 0.06405(18) 0.62060(17) 0.42970(13) 0.0576(8) Uani 1 1 d . . . . .
F2D F -0.0571(2) 0.88813(19) 0.05024(14) 0.0657(9) Uani 1 1 d . . . . .
F8C F -0.0149(2) 0.57502(16) 0.50547(12) 0.0615(8) Uani 1 1 d . . . . .
F3B F 0.0998(3) 0.43536(17) -0.02407(12) 0.0622(8) Uani 1 1 d . . . . .
F5B F 0.31686(18) 0.39970(18) 0.14433(13) 0.0583(8) Uani 1 1 d . . . . .
F10C F -0.30534(19) 0.57778(17) 0.37634(13) 0.0576(8) Uani 1 1 d . . . . .
F2B F -0.0366(2) 0.42030(18) 0.02797(13) 0.0601(8) Uani 1 1 d . . . . .
F5D F 0.3128(2) 0.92785(18) 0.13484(13) 0.0615(8) Uani 1 1 d . . . . .
F1A F 0.5611(2) 1.11893(17) 0.15882(14) 0.0601(8) Uani 1 1 d . . . . .
F8A F 0.8599(3) 1.07409(18) 0.50852(14) 0.0700(9) Uani 1 1 d . . . . .
F3D F 0.0450(3) 0.92731(19) -0.01690(13) 0.0739(10) Uani 1 1 d . . . . .
F9A F 0.6819(2) 1.08409(17) 0.45210(13) 0.0600(8) Uani 1 1 d . . . . .
F4B F 0.2773(2) 0.42638(18) 0.03527(14) 0.0637(9) Uani 1 1 d . . . . .
F4D F 0.2302(3) 0.94629(19) 0.02612(14) 0.0758(11) Uani 1 1 d . . . . .
F5C F -0.1820(2) 0.66012(19) 0.16100(14) 0.0708(10) Uani 1 1 d . . . . .
F10B F 0.0755(2) 0.35547(18) 0.31953(14) 0.0646(9) Uani 1 1 d . . . . .
F6A F 0.9514(2) 1.11700(17) 0.34556(17) 0.0635(8) Uani 1 1 d . . . . .
F7A F 0.9937(2) 1.09223(17) 0.45592(17) 0.0678(9) Uani 1 1 d . . . . .
O2C O 0.0335(3) 0.55384(19) 0.14425(18) 0.0577(9) Uani 1 1 d . . . . .
O4A O 0.6498(2) 0.94443(18) 0.37758(17) 0.0537(8) Uani 1 1 d . . . . .
F5A F 0.8729(3) 1.15635(19) 0.16532(17) 0.0731(10) Uani 1 1 d . . . . .
F7B F 0.4360(3) 0.37087(19) 0.43785(14) 0.0721(10) Uani 1 1 d . . . . .
F8B F 0.3054(4) 0.3398(2) 0.48973(15) 0.0909(15) Uani 1 1 d . . . . .
F4C F -0.2659(4) 0.6795(2) 0.05370(15) 0.0947(16) Uani 1 1 d . . . . .
F2A F 0.5119(3) 1.1415(2) 0.04867(16) 0.0821(12) Uani 1 1 d . . . . .
O4C O 0.1709(2) 0.69861(18) 0.37078(18) 0.0553(9) Uani 1 1 d . . . . .
F2C F -0.5521(3) 0.6276(2) 0.08421(18) 0.0920(15) Uani 1 1 d . . . . .
F3C F -0.4522(4) 0.6626(2) 0.01350(15) 0.1019(18) Uani 1 1 d . . . . .
F9B F 0.1241(3) 0.33182(19) 0.42933(16) 0.0811(12) Uani 1 1 d . . . . .
F3A F 0.6426(4) 1.1723(2) -0.00433(16) 0.0958(15) Uani 1 1 d . . . . .
O2B O 0.1078(3) 0.55867(19) -0.38156(19) 0.0633(10) Uani 1 1 d . . . . .
F4A F 0.8235(4) 1.1790(2) 0.05519(19) 0.0928(15) Uani 1 1 d . . . . .
O2D O 0.0805(3) 1.0608(2) 0.1292(2) 0.0725(12) Uani 1 1 d . . . . .
O2A O 0.5406(3) 0.7946(2) 0.1372(2) 0.0712(12) Uani 1 1 d . . . . .
O3B O 0.4389(3) 0.70680(18) -0.09049(18) 0.0595(10) Uani 1 1 d . . . . .
O3D O 0.4095(3) 1.2127(2) 0.42758(19) 0.0651(10) Uani 1 1 d . . . . .
C21B C 0.1607(3) 0.3980(2) 0.14628(17) 0.0348(8) Uani 1 1 d . . . . .
O1C O 0.2558(3) 0.5678(2) 0.0653(2) 0.0699(11) Uani 1 1 d . . . . .
O4B O 0.1500(3) 0.6859(2) -0.1552(2) 0.0696(12) Uani 1 1 d . . . . .
C27D C 0.2958(3) 0.8748(2) 0.32007(15) 0.0323(8) Uani 1 1 d . . . . .
O3A O 0.9370(3) 0.95448(19) 0.4184(2) 0.0673(11) Uani 1 1 d . . . . .
C16B C 0.2214(2) 0.52329(19) -0.19585(16) 0.0316(8) Uani 1 1 d . . . . .
O4D O 0.1222(3) 1.1938(2) 0.3582(3) 0.0767(14) Uani 1 1 d . . . . .
C27C C -0.1772(3) 0.6111(2) 0.34672(16) 0.0343(8) Uani 1 1 d . . . . .
C16C C 0.2220(3) 0.53482(19) 0.32130(17) 0.0319(8) Uani 1 1 d . . . . .
O1B O 0.3809(3) 0.5564(2) -0.4078(2) 0.0669(11) Uani 1 1 d . . . . .
C32D C 0.2459(3) 0.8569(2) 0.35697(18) 0.0355(8) Uani 1 1 d . . . . .
C15C C 0.2802(3) 0.5345(2) 0.37846(17) 0.0339(8) Uani 1 1 d . . . . .
O3C O 0.4575(3) 0.7132(2) 0.3827(3) 0.0785(14) Uani 1 1 d . . . . .
C21D C 0.1719(3) 0.8993(2) 0.15263(17) 0.0350(8) Uani 1 1 d . . . . .
O1A O 0.8075(3) 0.8112(2) 0.1063(2) 0.0701(12) Uani 1 1 d . . . . .
C27A C 0.7936(3) 1.1159(2) 0.34001(18) 0.0383(9) Uani 1 1 d . . . . .
C13B C 0.3954(3) 0.5363(2) -0.15416(17) 0.0333(8) Uani 1 1 d . . . . .
C6C C 0.0740(3) 0.7251(2) 0.11804(18) 0.0354(8) Uani 1 1 d . . . . .
C16A C 0.7070(3) 0.7743(2) 0.33058(18) 0.0343(8) Uani 1 1 d . . . . .
C22D C 0.0784(3) 0.8898(2) 0.12817(18) 0.0386(9) Uani 1 1 d . . . . .
C20B C 0.1223(3) 0.5163(2) -0.23036(19) 0.0416(9) Uani 1 1 d . . . . .
H20J H 0.116501 0.529882 -0.267173 0.062 Uiso 1 1 calc R U . . .
H20K H 0.086771 0.541280 -0.208018 0.062 Uiso 1 1 calc R U . . .
H20L H 0.100242 0.473140 -0.237901 0.062 Uiso 1 1 calc R U . . .
C15A C 0.7445(3) 0.7733(2) 0.39109(19) 0.0373(8) Uani 1 1 d . . . . .
C20A C 0.6057(3) 0.7678(2) 0.3006(2) 0.0447(10) Uani 1 1 d . . . . .
H20G H 0.595164 0.781933 0.263710 0.067 Uiso 1 1 calc R U . . .
H20H H 0.573732 0.792704 0.325528 0.067 Uiso 1 1 calc R U . . .
H20I H 0.583826 0.724747 0.293581 0.067 Uiso 1 1 calc R U . . .
C13C C 0.3936(3) 0.5441(2) 0.32624(17) 0.0346(8) Uani 1 1 d . . . . .
C7A C 0.6868(3) 0.9719(2) 0.11272(18) 0.0376(9) Uani 1 1 d . . . . .
C15B C 0.2509(3) 0.5210(2) -0.13452(16) 0.0320(8) Uani 1 1 d . . . . .
C5A C 0.6125(3) 0.9648(2) 0.18847(19) 0.0403(9) Uani 1 1 d . . . . .
C21A C 0.7195(4) 1.1374(2) 0.1674(2) 0.0466(10) Uani 1 1 d . . . . .
C27B C 0.2304(3) 0.3747(2) 0.31866(18) 0.0384(9) Uani 1 1 d . . . . .
C28B C 0.3205(3) 0.3782(2) 0.35153(19) 0.0427(9) Uani 1 1 d . . . . .
C32C C -0.2132(3) 0.5894(2) 0.38762(19) 0.0395(9) Uani 1 1 d . . . . .
C14B C 0.3478(3) 0.5280(2) -0.11147(17) 0.0339(8) Uani 1 1 d . . . . .
C13D C 0.3666(3) 1.0436(2) 0.36209(18) 0.0373(8) Uani 1 1 d . . . . .
C8B C 0.3582(3) 0.7233(2) -0.34723(19) 0.0384(9) Uani 1 1 d . . . . .
C14A C 0.8419(3) 0.7797(2) 0.40881(19) 0.0377(9) Uani 1 1 d . . . . .
C21C C -0.3216(3) 0.6363(2) 0.18302(18) 0.0392(9) Uani 1 1 d . . . . .
C8A C 0.7647(3) 0.9736(2) 0.16130(19) 0.0366(8) Uani 1 1 d . . . . .
C26D C 0.2199(3) 0.9178(2) 0.11578(19) 0.0407(9) Uani 1 1 d . . . . .
C2C C 0.0823(3) 0.5919(2) 0.13974(18) 0.0371(9) Uani 1 1 d . . . . .
C23D C 0.0349(3) 0.8984(2) 0.0721(2) 0.0462(10) Uani 1 1 d . . . . .
C30C C -0.0673(3) 0.5873(2) 0.45484(19) 0.0432(10) Uani 1 1 d . . . . .
C14C C 0.3753(3) 0.5399(2) 0.38150(17) 0.0359(8) Uani 1 1 d . . . . .
O1D O 0.3511(4) 1.0673(2) 0.1058(2) 0.0812(14) Uani 1 1 d . . . . .
C28D C 0.3896(3) 0.8783(2) 0.34338(17) 0.0353(8) Uani 1 1 d . . . . .
C24B C 0.1198(4) 0.4234(2) 0.03089(19) 0.0441(10) Uani 1 1 d . . . . .
C5C C 0.0999(3) 0.7234(2) 0.17987(18) 0.0371(8) Uani 1 1 d . . . . .
C14D C 0.3117(4) 1.0342(2) 0.4010(2) 0.0452(10) Uani 1 1 d . . . . .
C5B C 0.1940(3) 0.7235(2) -0.3372(2) 0.0411(9) Uani 1 1 d . . . . .
C22B C 0.0729(3) 0.4032(2) 0.11405(18) 0.0364(8) Uani 1 1 d . . . . .
C16D C 0.1935(3) 1.0311(2) 0.3128(2) 0.0416(9) Uani 1 1 d . . . . .
C28C C -0.0825(3) 0.6211(2) 0.36316(17) 0.0358(8) Uani 1 1 d . . . . .
C7B C 0.2916(4) 0.7250(2) -0.4012(2) 0.0483(11) Uani 1 1 d . . . . .
C13A C 0.8823(3) 0.7880(2) 0.36274(19) 0.0363(8) Uani 1 1 d . . . . .
C25D C 0.1800(4) 0.9277(3) 0.0597(2) 0.0496(11) Uani 1 1 d . . . . .
C20C C 0.1193(3) 0.5291(2) 0.3059(2) 0.0429(10) Uani 1 1 d . . . . .
H20A H 0.095103 0.540770 0.268293 0.064 Uiso 1 1 calc R U . . .
H20B H 0.098423 0.556330 0.335581 0.064 Uiso 1 1 calc R U . . .
H20C H 0.098663 0.486676 0.304113 0.064 Uiso 1 1 calc R U . . .
C2B C 0.1685(3) 0.5925(2) -0.3765(2) 0.0456(10) Uani 1 1 d . . . . .
C8C C 0.2366(3) 0.7320(2) 0.1358(2) 0.0392(9) Uani 1 1 d . . . . .
C32B C 0.1665(4) 0.3594(2) 0.3474(2) 0.0458(10) Uani 1 1 d . . . . .
C31C C -0.1611(3) 0.5765(2) 0.44026(18) 0.0434(10) Uani 1 1 d . . . . .
C32A C 0.7282(3) 1.1077(2) 0.36975(19) 0.0397(9) Uani 1 1 d . . . . .
C23B C 0.0507(3) 0.4157(2) 0.05747(19) 0.0417(9) Uani 1 1 d . . . . .
C4C C 0.2254(3) 0.6662(2) 0.36217(18) 0.0382(9) Uani 1 1 d . . . . .
C29C C -0.0279(3) 0.6103(2) 0.41609(19) 0.0415(10) Uani 1 1 d . . . . .
C31D C 0.2846(3) 0.8420(2) 0.41128(17) 0.0370(8) Uani 1 1 d . . . . .
C29D C 0.4316(3) 0.8642(2) 0.39790(18) 0.0383(9) Uani 1 1 d . . . . .
C24D C 0.0858(4) 0.9180(3) 0.0374(2) 0.0522(12) Uani 1 1 d . . . . .
C26B C 0.2273(3) 0.4054(2) 0.11689(19) 0.0396(9) Uani 1 1 d . . . . .
C3B C 0.3854(3) 0.6668(2) -0.11404(18) 0.0399(9) Uani 1 1 d . . . . .
C17B C 0.4981(3) 0.5457(3) -0.1407(2) 0.0476(11) Uani 1 1 d . . . . .
H17J H 0.524638 0.506239 -0.138241 0.071 Uiso 1 1 calc R U . . .
H17K H 0.520946 0.574166 -0.103782 0.071 Uiso 1 1 calc R U . . .
H17L H 0.514107 0.562663 -0.171576 0.071 Uiso 1 1 calc R U . . .
C6B C 0.2008(4) 0.7253(2) -0.3951(2) 0.0483(11) Uani 1 1 d . . . . .
C22A C 0.6285(4) 1.1337(2) 0.1345(2) 0.0500(11) Uani 1 1 d . . . . .
C7C C 0.1502(3) 0.7306(2) 0.09422(19) 0.0396(9) Uani 1 1 d . . . . .
C30D C 0.3790(3) 0.8458(2) 0.43186(18) 0.0396(9) Uani 1 1 d . . . . .
C6A C 0.6020(3) 0.9673(2) 0.12763(18) 0.0363(8) Uani 1 1 d . . . . .
C1C C 0.2181(3) 0.6007(2) 0.0927(2) 0.0433(10) Uani 1 1 d . . . . .
C15D C 0.2164(3) 1.0276(2) 0.3732(2) 0.0439(10) Uani 1 1 d . . . . .
C26C C -0.2753(4) 0.6529(3) 0.1443(2) 0.0494(11) Uani 1 1 d . . . . .
C4A C 0.7035(3) 0.9090(2) 0.37508(17) 0.0375(9) Uani 1 1 d . . . . .
C2A C 0.5969(3) 0.8332(2) 0.1430(2) 0.0448(10) Uani 1 1 d . . . . .
C5D C 0.1592(3) 1.2295(2) 0.1800(2) 0.0496(12) Uani 1 1 d . . . . .
C10C C -0.0239(3) 0.7218(3) 0.0823(2) 0.0464(10) Uani 1 1 d . . . . .
H10A H -0.029107 0.699762 0.042867 0.070 Uiso 1 1 calc R U . . .
H10B H -0.043231 0.763426 0.081116 0.070 Uiso 1 1 calc R U . . .
H10C H -0.062077 0.700158 0.100127 0.070 Uiso 1 1 calc R U . . .
C11C C 0.1402(4) 0.7348(3) 0.0308(2) 0.0504(11) Uani 1 1 d . . . . .
H11A H 0.194239 0.721063 0.019594 0.076 Uiso 1 1 calc R U . . .
H11B H 0.132034 0.777324 0.025981 0.076 Uiso 1 1 calc R U . . .
H11C H 0.087788 0.708594 0.006312 0.076 Uiso 1 1 calc R U . . .
C9B C 0.1066(3) 0.7243(3) -0.3182(3) 0.0588(14) Uani 1 1 d . . . . .
H9BA H 0.115337 0.706509 -0.283344 0.088 Uiso 1 1 calc R U . . .
H9BB H 0.058683 0.700238 -0.349277 0.088 Uiso 1 1 calc R U . . .
H9BC H 0.090039 0.766671 -0.309999 0.088 Uiso 1 1 calc R U . . .
C3C C 0.3993(3) 0.6747(2) 0.3684(2) 0.0461(10) Uani 1 1 d . . . . .
C28A C 0.8822(3) 1.1100(2) 0.3710(2) 0.0455(10) Uani 1 1 d . . . . .
C31A C 0.7489(3) 1.0935(2) 0.4256(2) 0.0461(10) Uani 1 1 d . . . . .
C17C C 0.4882(3) 0.5506(3) 0.3179(2) 0.0511(12) Uani 1 1 d . . . . .
H17A H 0.513971 0.510584 0.315259 0.077 Uiso 1 1 calc R U . . .
H17B H 0.526240 0.579481 0.350798 0.077 Uiso 1 1 calc R U . . .
H17C H 0.484978 0.566049 0.282143 0.077 Uiso 1 1 calc R U . . .
C19C C 0.2440(3) 0.5283(2) 0.4305(2) 0.0466(10) Uani 1 1 d . . . . .
H19A H 0.279940 0.556113 0.465060 0.070 Uiso 1 1 calc R U . . .
H19B H 0.247753 0.486007 0.436792 0.070 Uiso 1 1 calc R U . . .
H19C H 0.181280 0.538924 0.422844 0.070 Uiso 1 1 calc R U . . .
C30A C 0.8384(4) 1.0883(3) 0.4544(2) 0.0511(11) Uani 1 1 d . . . . .
C3A C 0.8791(3) 0.9164(2) 0.3999(2) 0.0435(10) Uani 1 1 d . . . . .
C1A C 0.7573(3) 0.8429(2) 0.1239(2) 0.0444(10) Uani 1 1 d . . . . .
C3D C 0.3560(3) 1.1735(2) 0.40190(19) 0.0434(10) Uani 1 1 d . . . . .
C2D C 0.1388(4) 1.0976(2) 0.1368(2) 0.0527(12) Uani 1 1 d . . . . .
C22C C -0.4158(3) 0.6291(2) 0.1603(2) 0.0444(10) Uani 1 1 d . . . . .
C20D C 0.0972(3) 1.0248(3) 0.2735(3) 0.0575(13) Uani 1 1 d . . . . .
H20D H 0.073718 0.981913 0.265446 0.086 Uiso 1 1 calc R U . . .
H20E H 0.097395 1.037652 0.237098 0.086 Uiso 1 1 calc R U . . .
H20F H 0.059008 1.050695 0.292941 0.086 Uiso 1 1 calc R U . . .
C25B C 0.2094(3) 0.4183(2) 0.0612(2) 0.0455(11) Uani 1 1 d . . . . .
C4B C 0.2098(3) 0.6540(2) -0.1535(2) 0.0439(10) Uani 1 1 d . . . . .
C8D C 0.3196(4) 1.2330(2) 0.1616(2) 0.0496(11) Uani 1 1 d . . . . .
C17A C 0.9843(3) 0.7974(3) 0.3710(3) 0.0529(12) Uani 1 1 d . . . . .
H17G H 1.011627 0.758183 0.373093 0.079 Uiso 1 1 calc R U . . .
H17H H 1.010561 0.826758 0.406942 0.079 Uiso 1 1 calc R U . . .
H17I H 0.995435 0.813375 0.338255 0.079 Uiso 1 1 calc R U . . .
C18C C 0.4493(3) 0.5403(3) 0.4372(2) 0.0508(11) Uani 1 1 d . . . . .
H18A H 0.503440 0.563129 0.435909 0.076 Uiso 1 1 calc R U . . .
H18B H 0.463037 0.498037 0.440814 0.076 Uiso 1 1 calc R U . . .
H18C H 0.428790 0.559887 0.470587 0.076 Uiso 1 1 calc R U . . .
C12B C 0.4602(4) 0.7232(3) -0.3410(3) 0.0614(14) Uani 1 1 d . . . . .
H12J H 0.485718 0.765475 -0.333667 0.092 Uiso 1 1 calc R U . . .
H12K H 0.471087 0.700504 -0.376723 0.092 Uiso 1 1 calc R U . . .
H12L H 0.488697 0.703482 -0.308588 0.092 Uiso 1 1 calc R U . . .
C17D C 0.4691(3) 1.0524(3) 0.3806(2) 0.0546(12) Uani 1 1 d . . . . .
H17D H 0.490102 1.070713 0.352143 0.082 Uiso 1 1 calc R U . . .
H17E H 0.494544 1.012609 0.383029 0.082 Uiso 1 1 calc R U . . .
H17F H 0.488469 1.079623 0.418545 0.082 Uiso 1 1 calc R U . . .
C18A C 0.8967(4) 0.7760(3) 0.4701(2) 0.0525(12) Uani 1 1 d . . . . .
H18G H 0.959319 0.790176 0.475369 0.079 Uiso 1 1 calc R U . . .
H18H H 0.894154 0.733439 0.475686 0.079 Uiso 1 1 calc R U . . .
H18I H 0.871759 0.801945 0.498489 0.079 Uiso 1 1 calc R U . . .
C19B C 0.1862(3) 0.5105(2) -0.09838(19) 0.0444(10) Uani 1 1 d . . . . .
H19J H 0.213579 0.528651 -0.057696 0.067 Uiso 1 1 calc R U . . .
H19K H 0.173389 0.466364 -0.102107 0.067 Uiso 1 1 calc R U . . .
H19L H 0.130134 0.529683 -0.112205 0.067 Uiso 1 1 calc R U . . .
C1B C 0.3348(4) 0.5916(2) -0.3912(2) 0.0478(11) Uani 1 1 d . . . . .
C18B C 0.3946(3) 0.5265(2) -0.04800(19) 0.0455(10) Uani 1 1 d . . . . .
H18J H 0.457301 0.542378 -0.039064 0.068 Uiso 1 1 calc R U . . .
H18K H 0.392707 0.484133 -0.041767 0.068 Uiso 1 1 calc R U . . .
H18L H 0.363792 0.551860 -0.022711 0.068 Uiso 1 1 calc R U . . .
C29B C 0.3469(4) 0.3670(3) 0.4082(2) 0.0534(12) Uani 1 1 d . . . . .
C7D C 0.2464(6) 1.2336(3) 0.1104(2) 0.0667(18) Uani 1 1 d . . . . .
C29A C 0.9061(3) 1.0972(2) 0.4271(2) 0.0493(11) Uani 1 1 d . . . . .
C11A C 0.6931(4) 0.9761(3) 0.0511(2) 0.0529(12) Uani 1 1 d . . . . .
H11G H 0.748329 0.958608 0.044818 0.079 Uiso 1 1 calc R U . . .
H11H H 0.693815 1.019158 0.046992 0.079 Uiso 1 1 calc R U . . .
H11I H 0.641059 0.953208 0.022603 0.079 Uiso 1 1 calc R U . . .
C26A C 0.7820(4) 1.1519(3) 0.1377(2) 0.0532(12) Uani 1 1 d . . . . .
C9A C 0.5333(4) 0.9602(3) 0.2149(2) 0.0569(13) Uani 1 1 d . . . . .
H9AA H 0.554561 0.949380 0.253146 0.085 Uiso 1 1 calc R U . . .
H9AB H 0.488476 0.928511 0.189763 0.085 Uiso 1 1 calc R U . . .
H9AC H 0.506144 0.999711 0.218662 0.085 Uiso 1 1 calc R U . . .
C30B C 0.2807(5) 0.3504(3) 0.4342(2) 0.0606(15) Uani 1 1 d . . . . .
C6D C 0.1581(5) 1.2310(3) 0.1208(3) 0.0659(18) Uani 1 1 d . . . . .
C24C C -0.4095(5) 0.6543(3) 0.0680(2) 0.0644(17) Uani 1 1 d . . . . .
C23A C 0.6020(5) 1.1451(3) 0.0776(2) 0.0589(14) Uani 1 1 d . . . . .
C10A C 0.5106(3) 0.9654(3) 0.0841(2) 0.0508(11) Uani 1 1 d . . . . .
H10G H 0.514290 0.944370 0.045846 0.076 Uiso 1 1 calc R U . . .
H10H H 0.493377 1.007333 0.082058 0.076 Uiso 1 1 calc R U . . .
H10I H 0.465555 0.943289 0.096354 0.076 Uiso 1 1 calc R U . . .
C12C C 0.3268(3) 0.7391(3) 0.1217(3) 0.0592(14) Uani 1 1 d . . . . .
H12A H 0.336920 0.781239 0.116653 0.089 Uiso 1 1 calc R U . . .
H12B H 0.326294 0.710579 0.085889 0.089 Uiso 1 1 calc R U . . .
H12C H 0.375106 0.730077 0.153425 0.089 Uiso 1 1 calc R U . . .
C4D C 0.1804(3) 1.1617(2) 0.3588(2) 0.0507(11) Uani 1 1 d . . . . .
C25A C 0.7584(5) 1.1638(3) 0.0812(3) 0.0658(17) Uani 1 1 d . . . . .
C12A C 0.8620(3) 0.9800(3) 0.1574(3) 0.0574(13) Uani 1 1 d . . . . .
H12G H 0.879139 1.023183 0.159636 0.086 Uiso 1 1 calc R U . . .
H12H H 0.867127 0.955957 0.120635 0.086 Uiso 1 1 calc R U . . .
H12I H 0.901911 0.964796 0.189543 0.086 Uiso 1 1 calc R U . . .
C19A C 0.6871(4) 0.7637(3) 0.4320(2) 0.0531(12) Uani 1 1 d . . . . .
H19G H 0.719879 0.781524 0.471871 0.080 Uiso 1 1 calc R U . . .
H19H H 0.673899 0.719681 0.428802 0.080 Uiso 1 1 calc R U . . .
H19I H 0.630761 0.783653 0.421506 0.080 Uiso 1 1 calc R U . . .
C9C C 0.0328(4) 0.7191(3) 0.2156(2) 0.0584(14) Uani 1 1 d . . . . .
H9CA H 0.063589 0.708233 0.252662 0.088 Uiso 1 1 calc R U . . .
H9CB H -0.015052 0.687462 0.194494 0.088 Uiso 1 1 calc R U . . .
H9CC H 0.006698 0.758651 0.222685 0.088 Uiso 1 1 calc R U . . .
C24A C 0.6679(6) 1.1610(3) 0.0509(2) 0.0711(19) Uani 1 1 d . . . . .
C23C C -0.4599(4) 0.6368(3) 0.1037(2) 0.0588(14) Uani 1 1 d . . . . .
C12D C 0.4196(5) 1.2348(3) 0.1636(3) 0.0737(18) Uani 1 1 d . . . . .
H12D H 0.452867 1.217511 0.196446 0.110 Uiso 1 1 calc R U . . .
H12E H 0.442246 1.277398 0.167904 0.110 Uiso 1 1 calc R U . . .
H12F H 0.427801 1.210795 0.127586 0.110 Uiso 1 1 calc R U . . .
C9D C 0.0759(4) 1.2278(3) 0.2026(3) 0.0672(17) Uani 1 1 d . . . . .
H9DA H 0.053176 1.268827 0.207239 0.101 Uiso 1 1 calc R U . . .
H9DB H 0.091419 1.214776 0.240123 0.101 Uiso 1 1 calc R U . . .
H9DC H 0.029477 1.198868 0.175102 0.101 Uiso 1 1 calc R U . . .
C25C C -0.3161(5) 0.6620(3) 0.0884(2) 0.0604(15) Uani 1 1 d . . . . .
C1D C 0.3038(4) 1.1011(3) 0.1221(2) 0.0560(12) Uani 1 1 d . . . . .
C31B C 0.1896(5) 0.3470(3) 0.4041(2) 0.0573(14) Uani 1 1 d . . . . .
C19D C 0.1430(5) 1.0174(3) 0.4039(3) 0.0686(16) Uani 1 1 d . . . . .
H19D H 0.090932 1.040058 0.389190 0.103 Uiso 1 1 calc R U . . .
H19E H 0.166620 1.032122 0.445651 0.103 Uiso 1 1 calc R U . . .
H19F H 0.124823 0.973595 0.396443 0.103 Uiso 1 1 calc R U . . .
C18D C 0.3516(5) 1.0304(3) 0.4649(2) 0.0685(17) Uani 1 1 d . . . . .
H18D H 0.314848 1.052177 0.488396 0.103 Uiso 1 1 calc R U . . .
H18E H 0.413059 1.049387 0.477959 0.103 Uiso 1 1 calc R U . . .
H18F H 0.352488 0.987384 0.469068 0.103 Uiso 1 1 calc R U . . .
C10B C 0.1185(5) 0.7282(3) -0.4454(3) 0.075(2) Uani 1 1 d . . . . .
H10J H 0.128455 0.705735 -0.481479 0.112 Uiso 1 1 calc R U . . .
H10K H 0.109083 0.771057 -0.448596 0.112 Uiso 1 1 calc R U . . .
H10L H 0.065286 0.709593 -0.438246 0.112 Uiso 1 1 calc R U . . .
C11B C 0.3170(6) 0.7278(3) -0.4575(3) 0.077(2) Uani 1 1 d . . . . .
H11J H 0.372482 0.707182 -0.457617 0.115 Uiso 1 1 calc R U . . .
H11K H 0.326151 0.770775 -0.460501 0.115 Uiso 1 1 calc R U . . .
H11L H 0.268546 0.707407 -0.490486 0.115 Uiso 1 1 calc R U . . .
C10D C 0.0694(6) 1.2311(3) 0.0739(3) 0.105(4) Uani 1 1 d . . . . .
H10D H 0.023936 1.203163 0.079618 0.158 Uiso 1 1 calc R U . . .
H10E H 0.079382 1.217481 0.035617 0.158 Uiso 1 1 calc R U . . .
H10F H 0.048607 1.272634 0.076835 0.158 Uiso 1 1 calc R U . . .
C11D C 0.2636(8) 1.2374(4) 0.0514(3) 0.108(4) Uani 1 1 d . . . . .
H11D H 0.215853 1.213168 0.020322 0.163 Uiso 1 1 calc R U . . .
H11E H 0.321704 1.221275 0.049752 0.163 Uiso 1 1 calc R U . . .
H11F H 0.264082 1.280274 0.046525 0.163 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
9 0 1 0.0185
-9 -1 -1 0.0523
1 -14 0 0.1171
-5 -11 -1 0.1029
-1 14 0 0.1960
0 -2 -14 0.0413
0 0 15 0.0152
-9 1 10 0.0463
8 0 -12 0.0370
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
As2D Au2D As1C 162.940(13) . . ?
C27D Au2D As2D 87.22(12) . . ?
C27D Au2D As1C 79.71(12) . . ?
C27D Au2D C21D 179.17(17) . . ?
C21D Au2D As2D 93.58(12) . . ?
C21D Au2D As1C 99.54(12) . . ?
C27B Au2B C21B 179.29(17) . . ?
As2B Au1B Co2B 58.157(17) . . ?
As2B Au1B Co1B 121.158(19) . . ?
As1B Au1B As2B 177.440(15) . . ?
As1B Au1B Co2B 123.509(19) . . ?
As1B Au1B Co1B 58.029(18) . . ?
Co1B Au1B Co2B 161.30(2) . . ?
C21C Au04 C27C 176.72(17) . . ?
As2C Au1C As1C 178.175(17) . . ?
As2C Au1C Co2C 58.235(17) . . ?
As2C Au1C Co1C 122.464(18) . . ?
As1C Au1C Co2C 120.696(19) . . ?
As1C Au1C Co1C 58.013(18) . . ?
Co1C Au1C Co2C 162.385(19) . . ?
As2D Au1D Co2D 58.000(18) . . ?
As2D Au1D Co1D 120.55(2) . . ?
As1D Au1D As2D 177.570(16) . . ?
As1D Au1D Co2D 124.290(19) . . ?
As1D Au1D Co1D 57.790(19) . . ?
Co1D Au1D Co2D 156.98(2) . . ?
As2A Au1A As1A 178.991(17) . . ?
As2A Au1A Co1A 123.331(19) . . ?
As2A Au1A Co2A 57.891(18) . . ?
As1A Au1A Co1A 57.670(18) . . ?
As1A Au1A Co2A 121.231(19) . . ?
Co1A Au1A Co2A 160.694(19) . . ?
C27A Au2A As1A 80.00(13) . . ?
C21A Au2A As1A 99.87(13) . . ?
C21A Au2A C27A 179.7(2) . . ?
Au1B As2B Co2B 63.812(18) . . ?
C16B As2B Au1B 96.88(13) . . ?
C16B As2B Co2B 54.04(12) . . ?
C16B As2B C13B 83.71(16) . . ?
C13B As2B Au1B 100.18(13) . . ?
C13B As2B Co2B 53.75(12) . . ?
Au1C As2C Co2C 63.664(18) . . ?
C16C As2C Au1C 95.82(12) . . ?
C16C As2C Co2C 53.95(12) . . ?
C13C As2C Au1C 100.96(13) . . ?
C13C As2C Co2C 54.10(13) . . ?
C13C As2C C16C 84.07(16) . . ?
Co1B As1B Au1B 63.823(19) . . ?
C8B As1B Au1B 101.34(13) . . ?
C8B As1B Co1B 54.09(14) . . ?
C8B As1B C5B 83.7(2) . . ?
C5B As1B Au1B 96.11(14) . . ?
C5B As1B Co1B 53.99(14) . . ?
Au1D As2D Au2D 146.656(17) . . ?
Au1D As2D Co2D 64.18(2) . . ?
Co2D As2D Au2D 134.51(2) . . ?
C13D As2D Au2D 110.69(13) . . ?
C13D As2D Au1D 102.32(13) . . ?
C13D As2D Co2D 53.76(13) . . ?
C13D As2D C16D 83.93(19) . . ?
C16D As2D Au2D 83.86(14) . . ?
C16D As2D Au1D 95.35(14) . . ?
C16D As2D Co2D 54.41(14) . . ?
Au1A As2A Co2A 64.216(18) . . ?
C16A As2A Au1A 93.09(13) . . ?
C16A As2A Co2A 54.40(13) . . ?
C16A As2A C13A 83.61(17) . . ?
C13A As2A Au1A 104.23(13) . . ?
C13A As2A Co2A 53.53(12) . . ?
Co1D As1D Au1D 64.19(2) . . ?
C5D As1D Au1D 95.31(16) . . ?
C5D As1D Co1D 54.63(15) . . ?
C8D As1D Au1D 102.94(15) . . ?
C8D As1D Co1D 54.24(16) . . ?
C8D As1D C5D 84.3(3) . . ?
Au1A As1A Au2A 157.410(19) . . ?
Co1A As1A Au1A 64.202(19) . . ?
Co1A As1A Au2A 137.22(2) . . ?
C5A As1A Au1A 97.74(15) . . ?
C5A As1A Au2A 102.24(15) . . ?
C5A As1A Co1A 54.43(14) . . ?
C5A As1A C8A 84.00(18) . . ?
C8A As1A Au1A 100.64(13) . . ?
C8A As1A Au2A 91.90(13) . . ?
C8A As1A Co1A 54.15(13) . . ?
Au1C As1C Au2D 158.953(18) . . ?
Co1C As1C Au2D 137.82(2) . . ?
Co1C As1C Au1C 63.222(18) . . ?
C5C As1C Au2D 99.56(13) . . ?
C5C As1C Au1C 95.24(13) . . ?
C5C As1C Co1C 54.38(13) . . ?
C5C As1C C8C 83.99(18) . . ?
C8C As1C Au2D 94.89(13) . . ?
C8C As1C Au1C 101.50(13) . . ?
C8C As1C Co1C 54.14(13) . . ?
As2C Co2C Au1C 58.101(16) . . ?
C16C Co2C Au1C 87.97(10) . . ?
C16C Co2C As2C 48.23(11) . . ?
C16C Co2C C15C 39.71(15) . . ?
C16C Co2C C13C 76.00(16) . . ?
C16C Co2C C14C 69.40(16) . . ?
C15C Co2C Au1C 126.55(11) . . ?
C15C Co2C As2C 74.03(11) . . ?
C13C Co2C Au1C 92.11(11) . . ?
C13C Co2C As2C 47.94(11) . . ?
C13C Co2C C15C 69.44(16) . . ?
C13C Co2C C14C 39.96(15) . . ?
C14C Co2C Au1C 129.66(11) . . ?
C14C Co2C As2C 74.07(11) . . ?
C14C Co2C C15C 39.53(16) . . ?
C4C Co2C Au1C 86.66(13) . . ?
C4C Co2C As2C 124.73(14) . . ?
C4C Co2C C16C 94.73(18) . . ?
C4C Co2C C15C 104.00(18) . . ?
C4C Co2C C13C 170.69(18) . . ?
C4C Co2C C14C 137.55(18) . . ?
C3C Co2C Au1C 92.71(17) . . ?
C3C Co2C As2C 124.96(17) . . ?
C3C Co2C C16C 170.5(2) . . ?
C3C Co2C C15C 136.7(2) . . ?
C3C Co2C C13C 94.5(2) . . ?
C3C Co2C C14C 103.2(2) . . ?
C3C Co2C C4C 94.8(2) . . ?
As1C Co1C Au1C 58.764(17) . . ?
C6C Co1C Au1C 127.13(12) . . ?
C6C Co1C As1C 74.56(12) . . ?
C6C Co1C C7C 39.53(16) . . ?
C2C Co1C Au1C 85.67(12) . . ?
C2C Co1C As1C 124.40(14) . . ?
C2C Co1C C6C 103.20(18) . . ?
C2C Co1C C5C 94.36(19) . . ?
C2C Co1C C8C 170.1(2) . . ?
C2C Co1C C7C 137.07(18) . . ?
C5C Co1C Au1C 87.94(11) . . ?
C5C Co1C As1C 48.12(12) . . ?
C5C Co1C C6C 40.02(15) . . ?
C5C Co1C C7C 69.26(17) . . ?
C8C Co1C Au1C 93.61(12) . . ?
C8C Co1C As1C 48.24(13) . . ?
C8C Co1C C6C 69.48(16) . . ?
C8C Co1C C5C 75.80(18) . . ?
C8C Co1C C7C 39.65(17) . . ?
C7C Co1C Au1C 130.71(13) . . ?
C7C Co1C As1C 74.18(13) . . ?
C1C Co1C Au1C 94.44(15) . . ?
C1C Co1C As1C 126.26(16) . . ?
C1C Co1C C6C 135.21(19) . . ?
C1C Co1C C2C 94.9(2) . . ?
C1C Co1C C5C 170.6(2) . . ?
C1C Co1C C8C 94.9(2) . . ?
C1C Co1C C7C 102.56(19) . . ?
As1A Co1A Au1A 58.128(17) . . ?
C7A Co1A Au1A 129.37(12) . . ?
C7A Co1A As1A 74.32(12) . . ?
C7A Co1A C6A 39.53(16) . . ?
C5A Co1A Au1A 88.92(12) . . ?
C5A Co1A As1A 48.02(13) . . ?
C5A Co1A C7A 69.38(17) . . ?
C5A Co1A C6A 39.85(16) . . ?
C8A Co1A Au1A 91.65(12) . . ?
C8A Co1A As1A 48.16(12) . . ?
C8A Co1A C7A 39.74(17) . . ?
C8A Co1A C5A 75.65(18) . . ?
C8A Co1A C6A 69.20(17) . . ?
C6A Co1A Au1A 127.49(12) . . ?
C6A Co1A As1A 74.22(12) . . ?
C2A Co1A Au1A 91.71(16) . . ?
C2A Co1A As1A 127.79(16) . . ?
C2A Co1A C7A 134.0(2) . . ?
C2A Co1A C5A 95.6(2) . . ?
C2A Co1A C8A 170.6(2) . . ?
C2A Co1A C6A 101.9(2) . . ?
C2A Co1A C1A 94.9(2) . . ?
C1A Co1A Au1A 88.79(16) . . ?
C1A Co1A As1A 122.62(16) . . ?
C1A Co1A C7A 104.3(2) . . ?
C1A Co1A C5A 169.2(2) . . ?
C1A Co1A C8A 93.9(2) . . ?
C1A Co1A C6A 138.8(2) . . ?
As2B Co2B Au1B 58.032(16) . . ?
C16B Co2B Au1B 88.47(10) . . ?
C16B Co2B As2B 47.90(10) . . ?
C16B Co2B C15B 39.70(14) . . ?
C16B Co2B C14B 69.05(15) . . ?
C13B Co2B Au1B 91.56(11) . . ?
C13B Co2B As2B 48.01(11) . . ?
C13B Co2B C16B 75.65(15) . . ?
C13B Co2B C15B 69.11(16) . . ?
C13B Co2B C14B 39.66(15) . . ?
C15B Co2B Au1B 126.89(10) . . ?
C15B Co2B As2B 73.83(11) . . ?
C15B Co2B C14B 39.31(15) . . ?
C14B Co2B Au1B 128.97(11) . . ?
C14B Co2B As2B 73.81(11) . . ?
C3B Co2B Au1B 90.95(13) . . ?
C3B Co2B As2B 124.90(15) . . ?
C3B Co2B C16B 170.89(19) . . ?
C3B Co2B C13B 95.28(19) . . ?
C3B Co2B C15B 137.90(17) . . ?
C3B Co2B C14B 104.57(18) . . ?
C4B Co2B Au1B 89.17(15) . . ?
C4B Co2B As2B 126.38(16) . . ?
C4B Co2B C16B 95.78(19) . . ?
C4B Co2B C13B 171.38(19) . . ?
C4B Co2B C15B 103.71(18) . . ?
C4B Co2B C14B 136.45(19) . . ?
C4B Co2B C3B 93.3(2) . . ?
As2A Co2A Au1A 57.893(17) . . ?
C16A Co2A Au1A 84.75(11) . . ?
C16A Co2A As2A 48.00(11) . . ?
C16A Co2A C15A 39.26(16) . . ?
C16A Co2A C14A 68.56(16) . . ?
C15A Co2A Au1A 123.51(12) . . ?
C15A Co2A As2A 73.87(13) . . ?
C15A Co2A C14A 39.31(16) . . ?
C14A Co2A Au1A 130.67(13) . . ?
C14A Co2A As2A 73.78(12) . . ?
C13A Co2A Au1A 94.95(12) . . ?
C13A Co2A As2A 48.26(12) . . ?
C13A Co2A C16A 75.73(16) . . ?
C13A Co2A C15A 69.40(17) . . ?
C13A Co2A C14A 39.74(17) . . ?
C4A Co2A Au1A 85.37(13) . . ?
C4A Co2A As2A 128.23(14) . . ?
C4A Co2A C16A 98.48(18) . . ?
C4A Co2A C15A 105.55(18) . . ?
C4A Co2A C14A 137.41(18) . . ?
C4A Co2A C13A 174.13(18) . . ?
C3A Co2A Au1A 93.29(16) . . ?
C3A Co2A As2A 121.55(16) . . ?
C3A Co2A C16A 168.14(19) . . ?
C3A Co2A C15A 139.32(19) . . ?
C3A Co2A C14A 104.64(19) . . ?
C3A Co2A C13A 92.83(19) . . ?
C3A Co2A C4A 93.0(2) . . ?
As1B Co1B Au1B 58.148(17) . . ?
C8B Co1B Au1B 92.36(12) . . ?
C8B Co1B As1B 47.91(11) . . ?
C8B Co1B C7B 39.80(18) . . ?
C8B Co1B C6B 69.03(19) . . ?
C5B Co1B Au1B 88.16(13) . . ?
C5B Co1B As1B 48.24(11) . . ?
C5B Co1B C8B 75.62(17) . . ?
C5B Co1B C7B 69.4(2) . . ?
C5B Co1B C6B 39.7(2) . . ?
C7B Co1B Au1B 129.90(14) . . ?
C7B Co1B As1B 74.29(14) . . ?
C2B Co1B Au1B 85.84(14) . . ?
C2B Co1B As1B 123.37(16) . . ?
C2B Co1B C8B 169.2(2) . . ?
C2B Co1B C5B 93.7(2) . . ?
C2B Co1B C7B 137.6(2) . . ?
C2B Co1B C6B 103.6(2) . . ?
C6B Co1B Au1B 126.70(14) . . ?
C6B Co1B As1B 74.09(13) . . ?
C6B Co1B C7B 39.5(2) . . ?
C1B Co1B Au1B 93.98(15) . . ?
C1B Co1B As1B 126.14(17) . . ?
C1B Co1B C8B 95.2(2) . . ?
C1B Co1B C5B 170.7(2) . . ?
C1B Co1B C7B 102.5(2) . . ?
C1B Co1B C2B 95.5(2) . . ?
C1B Co1B C6B 135.6(2) . . ?
As2D Co2D Au1D 57.816(17) . . ?
C13D Co2D Au1D 93.03(12) . . ?
C13D Co2D As2D 48.11(11) . . ?
C13D Co2D C14D 39.96(18) . . ?
C13D Co2D C16D 75.76(17) . . ?
C13D Co2D C15D 69.15(18) . . ?
C14D Co2D Au1D 129.90(13) . . ?
C14D Co2D As2D 73.89(13) . . ?
C14D Co2D C15D 39.2(2) . . ?
C16D Co2D Au1D 86.64(13) . . ?
C16D Co2D As2D 47.99(12) . . ?
C16D Co2D C14D 68.75(19) . . ?
C16D Co2D C15D 39.06(19) . . ?
C15D Co2D Au1D 124.79(13) . . ?
C15D Co2D As2D 73.42(12) . . ?
C3D Co2D Au1D 91.85(15) . . ?
C3D Co2D As2D 123.66(16) . . ?
C3D Co2D C13D 94.7(2) . . ?
C3D Co2D C14D 105.4(2) . . ?
C3D Co2D C16D 170.3(2) . . ?
C3D Co2D C15D 139.4(2) . . ?
C3D Co2D C4D 93.6(2) . . ?
C4D Co2D Au1D 89.15(18) . . ?
C4D Co2D As2D 127.69(18) . . ?
C4D Co2D C13D 171.3(2) . . ?
C4D Co2D C14D 134.6(2) . . ?
C4D Co2D C16D 96.0(2) . . ?
C4D Co2D C15D 102.8(2) . . ?
As1D Co1D Au1D 58.017(18) . . ?
C5D Co1D Au1D 86.81(14) . . ?
C5D Co1D As1D 48.25(12) . . ?
C5D Co1D C7D 69.0(3) . . ?
C2D Co1D Au1D 87.92(15) . . ?
C2D Co1D As1D 126.28(18) . . ?
C2D Co1D C5D 94.7(2) . . ?
C2D Co1D C8D 170.4(2) . . ?
C2D Co1D C7D 135.0(3) . . ?
C2D Co1D C6D 102.1(3) . . ?
C2D Co1D C1D 94.9(3) . . ?
C8D Co1D Au1D 93.50(14) . . ?
C8D Co1D As1D 48.21(13) . . ?
C8D Co1D C5D 75.9(2) . . ?
C8D Co1D C7D 39.8(2) . . ?
C8D Co1D C6D 69.4(2) . . ?
C7D Co1D Au1D 130.27(16) . . ?
C7D Co1D As1D 74.05(15) . . ?
C6D Co1D Au1D 125.36(18) . . ?
C6D Co1D As1D 74.04(15) . . ?
C6D Co1D C5D 39.4(2) . . ?
C6D Co1D C7D 39.5(3) . . ?
C1D Co1D Au1D 92.97(18) . . ?
C1D Co1D As1D 124.18(19) . . ?
C1D Co1D C5D 170.4(3) . . ?
C1D Co1D C8D 94.5(3) . . ?
C1D Co1D C7D 104.3(3) . . ?
C1D Co1D C6D 138.1(3) . . ?
C22B C21B Au2B 124.2(3) . . ?
C22B C21B C26B 114.2(4) . . ?
C26B C21B Au2B 121.5(3) . . ?
C32D C27D Au2D 122.3(3) . . ?
C28D C27D Au2D 123.5(3) . . ?
C28D C27D C32D 114.0(3) . . ?
As2B C16B Co2B 78.06(13) . . ?
C20B C16B As2B 122.2(3) . . ?
C20B C16B Co2B 128.8(3) . . ?
C15B C16B As2B 113.4(3) . . ?
C15B C16B Co2B 71.1(2) . . ?
C15B C16B C20B 123.4(3) . . ?
C32C C27C Au04 124.6(3) . . ?
C32C C27C C28C 114.5(4) . . ?
C28C C27C Au04 120.8(3) . . ?
As2C C16C Co2C 77.83(14) . . ?
C15C C16C As2C 113.0(3) . . ?
C15C C16C Co2C 70.8(2) . . ?
C15C C16C C20C 124.6(4) . . ?
C20C C16C As2C 121.3(3) . . ?
C20C C16C Co2C 129.1(3) . . ?
F10D C32D C27D 119.4(4) . . ?
F10D C32D C31D 116.2(4) . . ?
C31D C32D C27D 124.3(4) . . ?
C16C C15C Co2C 69.5(2) . . ?
C16C C15C C19C 122.8(4) . . ?
C14C C15C Co2C 70.2(2) . . ?
C14C C15C C16C 113.8(3) . . ?
C14C C15C C19C 123.4(4) . . ?
C19C C15C Co2C 129.8(3) . . ?
C22D C21D Au2D 123.1(3) . . ?
C26D C21D Au2D 122.6(3) . . ?
C26D C21D C22D 114.2(4) . . ?
C32A C27A Au2A 120.9(3) . . ?
C28A C27A Au2A 124.2(3) . . ?
C28A C27A C32A 114.6(4) . . ?
As2B C13B Co2B 78.24(14) . . ?
C14B C13B As2B 113.4(3) . . ?
C14B C13B Co2B 71.5(2) . . ?
C14B C13B C17B 123.8(4) . . ?
C17B C13B As2B 121.8(3) . . ?
C17B C13B Co2B 127.4(3) . . ?
C5C C6C Co1C 69.8(2) . . ?
C5C C6C C10C 123.2(4) . . ?
C7C C6C Co1C 70.5(2) . . ?
C7C C6C C5C 113.3(4) . . ?
C7C C6C C10C 123.5(4) . . ?
C10C C6C Co1C 128.6(3) . . ?
As2A C16A Co2A 77.60(14) . . ?
C15A C16A As2A 113.6(3) . . ?
C15A C16A Co2A 70.9(2) . . ?
C15A C16A C20A 124.1(4) . . ?
C20A C16A As2A 121.5(3) . . ?
C20A C16A Co2A 128.4(3) . . ?
F1D C22D C21D 119.9(4) . . ?
F1D C22D C23D 116.1(4) . . ?
C23D C22D C21D 124.0(4) . . ?
C16B C20B H20J 109.5 . . ?
C16B C20B H20K 109.5 . . ?
C16B C20B H20L 109.5 . . ?
H20J C20B H20K 109.5 . . ?
H20J C20B H20L 109.5 . . ?
H20K C20B H20L 109.5 . . ?
C16A C15A Co2A 69.9(2) . . ?
C16A C15A C14A 113.6(4) . . ?
C16A C15A C19A 123.1(4) . . ?
C14A C15A Co2A 70.4(2) . . ?
C14A C15A C19A 123.3(4) . . ?
C19A C15A Co2A 130.3(4) . . ?
C16A C20A H20G 109.5 . . ?
C16A C20A H20H 109.5 . . ?
C16A C20A H20I 109.5 . . ?
H20G C20A H20H 109.5 . . ?
H20G C20A H20I 109.5 . . ?
H20H C20A H20I 109.5 . . ?
As2C C13C Co2C 77.96(14) . . ?
C14C C13C As2C 113.1(3) . . ?
C14C C13C Co2C 70.5(2) . . ?
C14C C13C C17C 124.0(4) . . ?
C17C C13C As2C 122.1(3) . . ?
C17C C13C Co2C 127.9(4) . . ?
C8A C7A Co1A 69.5(2) . . ?
C8A C7A C6A 113.6(4) . . ?
C8A C7A C11A 123.4(4) . . ?
C6A C7A Co1A 70.6(2) . . ?
C6A C7A C11A 123.0(4) . . ?
C11A C7A Co1A 129.7(3) . . ?
C16B C15B Co2B 69.2(2) . . ?
C16B C15B C19B 123.2(4) . . ?
C14B C15B Co2B 70.4(2) . . ?
C14B C15B C16B 113.5(3) . . ?
C14B C15B C19B 123.3(4) . . ?
C19B C15B Co2B 130.4(3) . . ?
As1A C5A Co1A 77.55(16) . . ?
C6A C5A As1A 113.4(3) . . ?
C6A C5A Co1A 70.7(3) . . ?
C6A C5A C9A 123.4(4) . . ?
C9A C5A As1A 122.3(3) . . ?
C9A C5A Co1A 128.9(4) . . ?
C22A C21A Au2A 122.7(4) . . ?
C26A C21A Au2A 123.3(4) . . ?
C26A C21A C22A 114.0(5) . . ?
C28B C27B Au2B 122.4(3) . . ?
C28B C27B C32B 114.8(4) . . ?
C32B C27B Au2B 122.7(4) . . ?
F6B C28B C27B 119.8(4) . . ?
F6B C28B C29B 116.5(5) . . ?
C29B C28B C27B 123.8(5) . . ?
F10C C32C C27C 119.9(4) . . ?
F10C C32C C31C 116.1(4) . . ?
C27C C32C C31C 124.0(4) . . ?
C13B C14B Co2B 68.8(2) . . ?
C13B C14B C18B 123.7(4) . . ?
C15B C14B Co2B 70.3(2) . . ?
C15B C14B C13B 113.4(3) . . ?
C15B C14B C18B 122.9(4) . . ?
C18B C14B Co2B 129.6(3) . . ?
As2D C13D Co2D 78.13(15) . . ?
C14D C13D As2D 112.8(3) . . ?
C14D C13D Co2D 71.1(3) . . ?
C14D C13D C17D 123.9(4) . . ?
C17D C13D As2D 122.4(3) . . ?
C17D C13D Co2D 127.7(3) . . ?
As1B C8B Co1B 78.00(15) . . ?
C7B C8B As1B 114.0(3) . . ?
C7B C8B Co1B 70.7(3) . . ?
C7B C8B C12B 124.0(4) . . ?
C12B C8B As1B 121.1(4) . . ?
C12B C8B Co1B 128.6(4) . . ?
C15A C14A Co2A 70.3(2) . . ?
C15A C14A C13A 113.8(4) . . ?
C15A C14A C18A 122.9(4) . . ?
C13A C14A Co2A 68.6(2) . . ?
C13A C14A C18A 123.3(4) . . ?
C18A C14A Co2A 131.6(4) . . ?
C26C C21C Au04 121.2(3) . . ?
C26C C21C C22C 113.8(4) . . ?
C22C C21C Au04 125.0(3) . . ?
As1A C8A Co1A 77.68(15) . . ?
C7A C8A As1A 113.6(3) . . ?
C7A C8A Co1A 70.8(2) . . ?
C7A C8A C12A 123.9(4) . . ?
C12A C8A As1A 121.5(4) . . ?
C12A C8A Co1A 129.3(4) . . ?
F5D C26D C21D 119.5(4) . . ?
F5D C26D C25D 116.2(4) . . ?
C25D C26D C21D 124.3(4) . . ?
O2C C2C Co1C 179.0(4) . . ?
F2D C23D C22D 121.5(5) . . ?
F2D C23D C24D 119.1(4) . . ?
C24D C23D C22D 119.5(4) . . ?
F8C C30C C31C 120.8(4) . . ?
F8C C30C C29C 120.3(4) . . ?
C31C C30C C29C 118.8(4) . . ?
C15C C14C Co2C 70.3(2) . . ?
C15C C14C C13C 113.6(3) . . ?
C15C C14C C18C 123.1(4) . . ?
C13C C14C Co2C 69.5(2) . . ?
C13C C14C C18C 123.3(4) . . ?
C18C C14C Co2C 129.4(3) . . ?
F6D C28D C27D 119.6(4) . . ?
F6D C28D C29D 116.7(4) . . ?
C27D C28D C29D 123.6(4) . . ?
F3B C24B C23B 120.1(5) . . ?
F3B C24B C25B 120.6(4) . . ?
C23B C24B C25B 119.3(4) . . ?
As1C C5C Co1C 77.49(15) . . ?
C6C C5C As1C 113.4(3) . . ?
C6C C5C Co1C 70.2(2) . . ?
C6C C5C C9C 123.8(4) . . ?
C9C C5C As1C 121.9(3) . . ?
C9C C5C Co1C 129.0(4) . . ?
C13D C14D Co2D 68.9(3) . . ?
C13D C14D C18D 123.2(5) . . ?
C15D C14D Co2D 70.5(3) . . ?
C15D C14D C13D 113.3(4) . . ?
C15D C14D C18D 123.6(5) . . ?
C18D C14D Co2D 130.0(4) . . ?
As1B C5B Co1B 77.77(16) . . ?
C6B C5B As1B 113.0(3) . . ?
C6B C5B Co1B 70.6(3) . . ?
C6B C5B C9B 125.4(5) . . ?
C9B C5B As1B 120.5(4) . . ?
C9B C5B Co1B 129.2(4) . . ?
F1B C22B C21B 119.9(4) . . ?
F1B C22B C23B 116.0(4) . . ?
C21B C22B C23B 124.1(4) . . ?
As2D C16D Co2D 77.60(15) . . ?
C15D C16D As2D 113.0(3) . . ?
C15D C16D Co2D 70.8(3) . . ?
C15D C16D C20D 124.6(4) . . ?
C20D C16D As2D 121.4(4) . . ?
C20D C16D Co2D 129.0(4) . . ?
F6C C28C C27C 120.2(4) . . ?
F6C C28C C29C 116.5(4) . . ?
C29C C28C C27C 123.4(4) . . ?
C8B C7B Co1B 69.5(3) . . ?
C8B C7B C11B 122.5(6) . . ?
C6B C7B Co1B 70.1(3) . . ?
C6B C7B C8B 112.9(4) . . ?
C6B C7B C11B 124.5(5) . . ?
C11B C7B Co1B 130.0(4) . . ?
As2A C13A Co2A 78.22(14) . . ?
C14A C13A As2A 112.9(3) . . ?
C14A C13A Co2A 71.7(2) . . ?
C14A C13A C17A 123.7(4) . . ?
C17A C13A As2A 122.4(4) . . ?
C17A C13A Co2A 127.2(3) . . ?
F4D C25D C26D 121.5(5) . . ?
F4D C25D C24D 119.3(4) . . ?
C26D C25D C24D 119.2(4) . . ?
C16C C20C H20A 109.5 . . ?
C16C C20C H20B 109.5 . . ?
C16C C20C H20C 109.5 . . ?
H20A C20C H20B 109.5 . . ?
H20A C20C H20C 109.5 . . ?
H20B C20C H20C 109.5 . . ?
O2B C2B Co1B 177.9(5) . . ?
As1C C8C Co1C 77.62(15) . . ?
C7C C8C As1C 113.3(3) . . ?
C7C C8C Co1C 70.9(3) . . ?
C7C C8C C12C 124.0(4) . . ?
C12C C8C As1C 121.5(4) . . ?
C12C C8C Co1C 130.1(4) . . ?
F10B C32B C27B 120.0(4) . . ?
F10B C32B C31B 116.4(5) . . ?
C27B C32B C31B 123.6(5) . . ?
F9C C31C C32C 121.0(4) . . ?
F9C C31C C30C 119.5(4) . . ?
C30C C31C C32C 119.5(4) . . ?
F10A C32A C27A 120.1(4) . . ?
F10A C32A C31A 116.6(4) . . ?
C31A C32A C27A 123.3(4) . . ?
F2B C23B C24B 119.4(4) . . ?
F2B C23B C22B 121.6(4) . . ?
C24B C23B C22B 119.0(4) . . ?
O4C C4C Co2C 179.5(4) . . ?
F7C C29C C30C 119.4(4) . . ?
F7C C29C C28C 120.8(4) . . ?
C30C C29C C28C 119.8(4) . . ?
F9D C31D C32D 121.7(4) . . ?
F9D C31D C30D 119.5(4) . . ?
C32D C31D C30D 118.8(4) . . ?
F7D C29D C28D 120.9(4) . . ?
F7D C29D C30D 119.4(4) . . ?
C30D C29D C28D 119.7(4) . . ?
F3D C24D C23D 120.6(5) . . ?
F3D C24D C25D 120.5(5) . . ?
C23D C24D C25D 118.9(4) . . ?
F5B C26B C21B 119.1(4) . . ?
F5B C26B C25B 116.6(4) . . ?
C25B C26B C21B 124.2(4) . . ?
O3B C3B Co2B 179.4(4) . . ?
C13B C17B H17J 109.5 . . ?
C13B C17B H17K 109.5 . . ?
C13B C17B H17L 109.5 . . ?
H17J C17B H17K 109.5 . . ?
H17J C17B H17L 109.5 . . ?
H17K C17B H17L 109.5 . . ?
C5B C6B Co1B 69.7(3) . . ?
C5B C6B C7B 114.3(4) . . ?
C5B C6B C10B 122.7(6) . . ?
C7B C6B Co1B 70.4(3) . . ?
C7B C6B C10B 123.0(6) . . ?
C10B C6B Co1B 129.5(4) . . ?
F1A C22A C21A 119.3(4) . . ?
F1A C22A C23A 117.2(5) . . ?
C23A C22A C21A 123.5(5) . . ?
C6C C7C Co1C 70.0(2) . . ?
C6C C7C C11C 122.9(4) . . ?
C8C C7C Co1C 69.4(2) . . ?
C8C C7C C6C 114.0(4) . . ?
C8C C7C C11C 123.1(4) . . ?
C11C C7C Co1C 129.7(4) . . ?
F8D C30D C31D 121.0(4) . . ?
F8D C30D C29D 119.6(4) . . ?
C29D C30D C31D 119.4(4) . . ?
C7A C6A Co1A 69.9(2) . . ?
C7A C6A C5A 113.4(4) . . ?
C7A C6A C10A 123.4(4) . . ?
C5A C6A Co1A 69.4(3) . . ?
C5A C6A C10A 123.2(4) . . ?
C10A C6A Co1A 129.4(3) . . ?
O1C C1C Co1C 179.1(5) . . ?
C14D C15D Co2D 70.3(3) . . ?
C14D C15D C19D 124.4(5) . . ?
C16D C15D Co2D 70.1(3) . . ?
C16D C15D C14D 114.6(4) . . ?
C16D C15D C19D 121.1(5) . . ?
C19D C15D Co2D 128.9(4) . . ?
F5C C26C C21C 119.4(4) . . ?
F5C C26C C25C 115.7(5) . . ?
C25C C26C C21C 125.0(5) . . ?
O4A C4A Co2A 177.2(4) . . ?
O2A C2A Co1A 179.1(5) . . ?
As1D C5D Co1D 77.12(17) . . ?
C6D C5D As1D 112.9(5) . . ?
C6D C5D Co1D 70.3(3) . . ?
C6D C5D C9D 124.8(5) . . ?
C9D C5D As1D 121.4(4) . . ?
C9D C5D Co1D 129.1(4) . . ?
C6C C10C H10A 109.5 . . ?
C6C C10C H10B 109.5 . . ?
C6C C10C H10C 109.5 . . ?
H10A C10C H10B 109.5 . . ?
H10A C10C H10C 109.5 . . ?
H10B C10C H10C 109.5 . . ?
C7C C11C H11A 109.5 . . ?
C7C C11C H11B 109.5 . . ?
C7C C11C H11C 109.5 . . ?
H11A C11C H11B 109.5 . . ?
H11A C11C H11C 109.5 . . ?
H11B C11C H11C 109.5 . . ?
C5B C9B H9BA 109.5 . . ?
C5B C9B H9BB 109.5 . . ?
C5B C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
O3C C3C Co2C 178.7(5) . . ?
F6A C28A C27A 119.1(5) . . ?
F6A C28A C29A 116.8(5) . . ?
C29A C28A C27A 124.1(4) . . ?
F9A C31A C32A 121.0(4) . . ?
F9A C31A C30A 119.5(4) . . ?
C30A C31A C32A 119.6(5) . . ?
C13C C17C H17A 109.5 . . ?
C13C C17C H17B 109.5 . . ?
C13C C17C H17C 109.5 . . ?
H17A C17C H17B 109.5 . . ?
H17A C17C H17C 109.5 . . ?
H17B C17C H17C 109.5 . . ?
C15C C19C H19A 109.5 . . ?
C15C C19C H19B 109.5 . . ?
C15C C19C H19C 109.5 . . ?
H19A C19C H19B 109.5 . . ?
H19A C19C H19C 109.5 . . ?
H19B C19C H19C 109.5 . . ?
F8A C30A C31A 120.5(5) . . ?
F8A C30A C29A 120.2(5) . . ?
C31A C30A C29A 119.3(5) . . ?
O3A C3A Co2A 178.9(5) . . ?
O1A C1A Co1A 178.9(4) . . ?
O3D C3D Co2D 179.9(6) . . ?
O2D C2D Co1D 178.9(5) . . ?
F1C C22C C21C 119.2(4) . . ?
F1C C22C C23C 117.5(5) . . ?
C21C C22C C23C 123.2(5) . . ?
C16D C20D H20D 109.5 . . ?
C16D C20D H20E 109.5 . . ?
C16D C20D H20F 109.5 . . ?
H20D C20D H20E 109.5 . . ?
H20D C20D H20F 109.5 . . ?
H20E C20D H20F 109.5 . . ?
F4B C25B C24B 119.3(4) . . ?
F4B C25B C26B 121.6(5) . . ?
C26B C25B C24B 119.1(4) . . ?
O4B C4B Co2B 179.6(5) . . ?
As1D C8D Co1D 77.54(19) . . ?
C7D C8D As1D 112.8(5) . . ?
C7D C8D Co1D 70.8(3) . . ?
C7D C8D C12D 125.3(5) . . ?
C12D C8D As1D 121.0(4) . . ?
C12D C8D Co1D 128.2(4) . . ?
C13A C17A H17G 109.5 . . ?
C13A C17A H17H 109.5 . . ?
C13A C17A H17I 109.5 . . ?
H17G C17A H17H 109.5 . . ?
H17G C17A H17I 109.5 . . ?
H17H C17A H17I 109.5 . . ?
C14C C18C H18A 109.5 . . ?
C14C C18C H18B 109.5 . . ?
C14C C18C H18C 109.5 . . ?
H18A C18C H18B 109.5 . . ?
H18A C18C H18C 109.5 . . ?
H18B C18C H18C 109.5 . . ?
C8B C12B H12J 109.5 . . ?
C8B C12B H12K 109.5 . . ?
C8B C12B H12L 109.5 . . ?
H12J C12B H12K 109.5 . . ?
H12J C12B H12L 109.5 . . ?
H12K C12B H12L 109.5 . . ?
C13D C17D H17D 109.5 . . ?
C13D C17D H17E 109.5 . . ?
C13D C17D H17F 109.5 . . ?
H17D C17D H17E 109.5 . . ?
H17D C17D H17F 109.5 . . ?
H17E C17D H17F 109.5 . . ?
C14A C18A H18G 109.5 . . ?
C14A C18A H18H 109.5 . . ?
C14A C18A H18I 109.5 . . ?
H18G C18A H18H 109.5 . . ?
H18G C18A H18I 109.5 . . ?
H18H C18A H18I 109.5 . . ?
C15B C19B H19J 109.5 . . ?
C15B C19B H19K 109.5 . . ?
C15B C19B H19L 109.5 . . ?
H19J C19B H19K 109.5 . . ?
H19J C19B H19L 109.5 . . ?
H19K C19B H19L 109.5 . . ?
O1B C1B Co1B 179.1(5) . . ?
C14B C18B H18J 109.5 . . ?
C14B C18B H18K 109.5 . . ?
C14B C18B H18L 109.5 . . ?
H18J C18B H18K 109.5 . . ?
H18J C18B H18L 109.5 . . ?
H18K C18B H18L 109.5 . . ?
F7B C29B C28B 120.9(5) . . ?
F7B C29B C30B 120.0(5) . . ?
C28B C29B C30B 119.1(5) . . ?
C8D C7D Co1D 69.4(3) . . ?
C8D C7D C11D 122.0(8) . . ?
C6D C7D Co1D 70.0(3) . . ?
C6D C7D C8D 113.6(5) . . ?
C6D C7D C11D 124.4(7) . . ?
C11D C7D Co1D 129.8(5) . . ?
F7A C29A C28A 122.1(5) . . ?
F7A C29A C30A 118.7(5) . . ?
C28A C29A C30A 119.2(5) . . ?
C7A C11A H11G 109.5 . . ?
C7A C11A H11H 109.5 . . ?
C7A C11A H11I 109.5 . . ?
H11G C11A H11H 109.5 . . ?
H11G C11A H11I 109.5 . . ?
H11H C11A H11I 109.5 . . ?
F5A C26A C21A 119.3(5) . . ?
F5A C26A C25A 116.5(5) . . ?
C25A C26A C21A 124.2(6) . . ?
C5A C9A H9AA 109.5 . . ?
C5A C9A H9AB 109.5 . . ?
C5A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
F8B C30B C29B 119.7(6) . . ?
F8B C30B C31B 120.2(6) . . ?
C31B C30B C29B 120.0(5) . . ?
C5D C6D Co1D 70.3(3) . . ?
C5D C6D C7D 114.2(5) . . ?
C5D C6D C10D 121.6(8) . . ?
C7D C6D Co1D 70.5(3) . . ?
C7D C6D C10D 124.1(7) . . ?
C10D C6D Co1D 129.1(4) . . ?
F3C C24C C23C 119.7(7) . . ?
F3C C24C C25C 121.0(7) . . ?
C25C C24C C23C 119.3(5) . . ?
F2A C23A C22A 120.0(6) . . ?
F2A C23A C24A 120.5(5) . . ?
C24A C23A C22A 119.5(6) . . ?
C6A C10A H10G 109.5 . . ?
C6A C10A H10H 109.5 . . ?
C6A C10A H10I 109.5 . . ?
H10G C10A H10H 109.5 . . ?
H10G C10A H10I 109.5 . . ?
H10H C10A H10I 109.5 . . ?
C8C C12C H12A 109.5 . . ?
C8C C12C H12B 109.5 . . ?
C8C C12C H12C 109.5 . . ?
H12A C12C H12B 109.5 . . ?
H12A C12C H12C 109.5 . . ?
H12B C12C H12C 109.5 . . ?
O4D C4D Co2D 178.4(6) . . ?
F4A C25A C26A 120.9(7) . . ?
F4A C25A C24A 119.3(6) . . ?
C24A C25A C26A 119.8(6) . . ?
C8A C12A H12G 109.5 . . ?
C8A C12A H12H 109.5 . . ?
C8A C12A H12I 109.5 . . ?
H12G C12A H12H 109.5 . . ?
H12G C12A H12I 109.5 . . ?
H12H C12A H12I 109.5 . . ?
C15A C19A H19G 109.5 . . ?
C15A C19A H19H 109.5 . . ?
C15A C19A H19I 109.5 . . ?
H19G C19A H19H 109.5 . . ?
H19G C19A H19I 109.5 . . ?
H19H C19A H19I 109.5 . . ?
C5C C9C H9CA 109.5 . . ?
C5C C9C H9CB 109.5 . . ?
C5C C9C H9CC 109.5 . . ?
H9CA C9C H9CB 109.5 . . ?
H9CA C9C H9CC 109.5 . . ?
H9CB C9C H9CC 109.5 . . ?
F3A C24A C23A 119.8(7) . . ?
F3A C24A C25A 121.3(7) . . ?
C25A C24A C23A 119.0(5) . . ?
F2C C23C C22C 119.8(6) . . ?
F2C C23C C24C 120.5(5) . . ?
C24C C23C C22C 119.7(5) . . ?
C8D C12D H12D 109.5 . . ?
C8D C12D H12E 109.5 . . ?
C8D C12D H12F 109.5 . . ?
H12D C12D H12E 109.5 . . ?
H12D C12D H12F 109.5 . . ?
H12E C12D H12F 109.5 . . ?
C5D C9D H9DA 109.5 . . ?
C5D C9D H9DB 109.5 . . ?
C5D C9D H9DC 109.5 . . ?
H9DA C9D H9DB 109.5 . . ?
H9DA C9D H9DC 109.5 . . ?
H9DB C9D H9DC 109.5 . . ?
F4C C25C C26C 121.2(6) . . ?
F4C C25C C24C 119.7(5) . . ?
C24C C25C C26C 119.0(6) . . ?
O1D C1D Co1D 179.4(6) . . ?
F9B C31B C32B 120.6(6) . . ?
F9B C31B C30B 120.7(5) . . ?
C30B C31B C32B 118.7(5) . . ?
C15D C19D H19D 109.5 . . ?
C15D C19D H19E 109.5 . . ?
C15D C19D H19F 109.5 . . ?
H19D C19D H19E 109.5 . . ?
H19D C19D H19F 109.5 . . ?
H19E C19D H19F 109.5 . . ?
C14D C18D H18D 109.5 . . ?
C14D C18D H18E 109.5 . . ?
C14D C18D H18F 109.5 . . ?
H18D C18D H18E 109.5 . . ?
H18D C18D H18F 109.5 . . ?
H18E C18D H18F 109.5 . . ?
C6B C10B H10J 109.5 . . ?
C6B C10B H10K 109.5 . . ?
C6B C10B H10L 109.5 . . ?
H10J C10B H10K 109.5 . . ?
H10J C10B H10L 109.5 . . ?
H10K C10B H10L 109.5 . . ?
C7B C11B H11J 109.5 . . ?
C7B C11B H11K 109.5 . . ?
C7B C11B H11L 109.5 . . ?
H11J C11B H11K 109.5 . . ?
H11J C11B H11L 109.5 . . ?
H11K C11B H11L 109.5 . . ?
C6D C10D H10D 109.5 . . ?
C6D C10D H10E 109.5 . . ?
C6D C10D H10F 109.5 . . ?
H10D C10D H10E 109.5 . . ?
H10D C10D H10F 109.5 . . ?
H10E C10D H10F 109.5 . . ?
C7D C11D H11D 109.5 . . ?
C7D C11D H11E 109.5 . . ?
C7D C11D H11F 109.5 . . ?
H11D C11D H11E 109.5 . . ?
H11D C11D H11F 109.5 . . ?
H11E C11D H11F 109.5 . . ?
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
Au2D As2D 3.1069(5) . ?
Au2D As1C 3.1132(5) . ?
Au2D C27D 2.043(3) . ?
Au2D C21D 2.046(4) . ?
Au2B C21B 2.052(4) . ?
Au2B C27B 2.050(4) . ?
Au1B As2B 2.5201(5) . ?
Au1B As1B 2.5192(5) . ?
Au1B Co2B 2.6656(6) . ?
Au1B Co1B 2.6616(6) . ?
Au04 C27C 2.053(4) . ?
Au04 C21C 2.044(4) . ?
Au1C As2C 2.5187(5) . ?
Au1C As1C 2.5316(5) . ?
Au1C Co2C 2.6588(6) . ?
Au1C Co1C 2.6432(6) . ?
Au1D As2D 2.5185(5) . ?
Au1D As1D 2.5154(5) . ?
Au1D Co2D 2.6788(7) . ?
Au1D Co1D 2.6698(7) . ?
Au1A As2A 2.5206(5) . ?
Au1A As1A 2.5213(5) . ?
Au1A Co1A 2.6730(6) . ?
Au1A Co2A 2.6794(6) . ?
Au2A As1A 3.0746(5) . ?
Au2A C27A 2.062(4) . ?
Au2A C21A 2.033(5) . ?
As2B Co2B 2.5235(8) . ?
As2B C16B 1.914(4) . ?
As2B C13B 1.916(4) . ?
As2C Co2C 2.5224(7) . ?
As2C C16C 1.924(4) . ?
As2C C13C 1.915(4) . ?
As1B Co1B 2.5160(8) . ?
As1B C8B 1.909(4) . ?
As1B C5B 1.920(4) . ?
As2D Co2D 2.5236(8) . ?
As2D C13D 1.920(4) . ?
As2D C16D 1.920(4) . ?
As2A Co2A 2.5205(8) . ?
As2A C16A 1.918(4) . ?
As2A C13A 1.921(4) . ?
As1D Co1D 2.5092(8) . ?
As1D C5D 1.920(4) . ?
As1D C8D 1.916(5) . ?
As1A Co1A 2.5087(8) . ?
As1A C5A 1.910(4) . ?
As1A C8A 1.913(4) . ?
As1C Co1C 2.5112(8) . ?
As1C C5C 1.915(4) . ?
As1C C8C 1.918(5) . ?
Co2C C16C 2.086(4) . ?
Co2C C15C 2.104(4) . ?
Co2C C13C 2.089(4) . ?
Co2C C14C 2.103(4) . ?
Co2C C4C 1.774(5) . ?
Co2C C3C 1.755(5) . ?
Co1C C6C 2.097(4) . ?
Co1C C2C 1.764(4) . ?
Co1C C5C 2.091(4) . ?
Co1C C8C 2.084(4) . ?
Co1C C7C 2.103(4) . ?
Co1C C1C 1.761(5) . ?
Co1A C7A 2.098(4) . ?
Co1A C5A 2.090(5) . ?
Co1A C8A 2.081(4) . ?
Co1A C6A 2.107(4) . ?
Co1A C2A 1.757(5) . ?
Co1A C1A 1.761(5) . ?
Co2B C16B 2.088(4) . ?
Co2B C13B 2.079(4) . ?
Co2B C15B 2.112(4) . ?
Co2B C14B 2.114(4) . ?
Co2B C3B 1.768(4) . ?
Co2B C4B 1.767(5) . ?
Co2A C16A 2.098(4) . ?
Co2A C15A 2.111(4) . ?
Co2A C14A 2.112(4) . ?
Co2A C13A 2.070(4) . ?
Co2A C4A 1.773(4) . ?
Co2A C3A 1.762(5) . ?
Co1B C8B 2.083(5) . ?
Co1B C5B 2.082(5) . ?
Co1B C7B 2.100(5) . ?
Co1B C2B 1.777(5) . ?
Co1B C6B 2.095(5) . ?
Co1B C1B 1.769(5) . ?
Co2D C13D 2.080(4) . ?
Co2D C14D 2.108(5) . ?
Co2D C16D 2.101(5) . ?
Co2D C15D 2.111(4) . ?
Co2D C3D 1.766(5) . ?
Co2D C4D 1.775(5) . ?
Co1D C5D 2.099(5) . ?
Co1D C2D 1.770(6) . ?
Co1D C8D 2.085(6) . ?
Co1D C7D 2.105(6) . ?
Co1D C6D 2.098(5) . ?
Co1D C1D 1.772(6) . ?
F6D C28D 1.351(5) . ?
F6B C28B 1.359(6) . ?
F6C C28C 1.351(5) . ?
F1B C22B 1.358(5) . ?
F9D C31D 1.347(5) . ?
F1D C22D 1.354(5) . ?
F8D C30D 1.349(5) . ?
F10D C32D 1.352(5) . ?
F1C C22C 1.352(6) . ?
F9C C31C 1.348(5) . ?
F10A C32A 1.360(5) . ?
F7D C29D 1.347(5) . ?
F7C C29C 1.349(5) . ?
F2D C23D 1.354(6) . ?
F8C C30C 1.339(5) . ?
F3B C24B 1.342(5) . ?
F5B C26B 1.365(5) . ?
F10C C32C 1.359(5) . ?
F2B C23B 1.343(5) . ?
F5D C26D 1.362(5) . ?
F1A C22A 1.356(6) . ?
F8A C30A 1.341(6) . ?
F3D C24D 1.339(5) . ?
F9A C31A 1.353(6) . ?
F4B C25B 1.350(5) . ?
F4D C25D 1.340(6) . ?
F5C C26C 1.363(7) . ?
F10B C32B 1.361(6) . ?
F6A C28A 1.355(6) . ?
F7A C29A 1.344(6) . ?
O2C C2C 1.137(6) . ?
O4A C4A 1.135(6) . ?
F5A C26A 1.357(7) . ?
F7B C29B 1.347(7) . ?
F8B C30B 1.345(6) . ?
F4C C25C 1.353(7) . ?
F2A C23A 1.355(8) . ?
O4C C4C 1.128(6) . ?
F2C C23C 1.350(7) . ?
F3C C24C 1.342(6) . ?
F9B C31B 1.347(6) . ?
F3A C24A 1.344(6) . ?
O2B C2B 1.134(7) . ?
F4A C25A 1.356(7) . ?
O2D C2D 1.135(7) . ?
O2A C2A 1.149(6) . ?
O3B C3B 1.138(6) . ?
O3D C3D 1.137(6) . ?
C21B C22B 1.371(6) . ?
C21B C26B 1.387(5) . ?
O1C C1C 1.143(6) . ?
O4B C4B 1.147(6) . ?
C27D C32D 1.395(5) . ?
C27D C28D 1.381(6) . ?
O3A C3A 1.136(6) . ?
C16B C20B 1.505(5) . ?
C16B C15B 1.426(5) . ?
O4D C4D 1.131(7) . ?
C27C C32C 1.378(6) . ?
C27C C28C 1.386(6) . ?
C16C C15C 1.423(5) . ?
C16C C20C 1.498(5) . ?
O1B C1B 1.133(7) . ?
C32D C31D 1.377(6) . ?
C15C C14C 1.423(6) . ?
C15C C19C 1.504(5) . ?
O3C C3C 1.145(6) . ?
C21D C22D 1.381(6) . ?
C21D C26D 1.379(6) . ?
O1A C1A 1.142(6) . ?
C27A C32A 1.381(6) . ?
C27A C28A 1.376(7) . ?
C13B C14B 1.422(5) . ?
C13B C17B 1.505(5) . ?
C6C C5C 1.433(6) . ?
C6C C7C 1.420(6) . ?
C6C C10C 1.502(6) . ?
C16A C15A 1.414(6) . ?
C16A C20A 1.508(5) . ?
C22D C23D 1.379(6) . ?
C20B H20J 0.9600 . ?
C20B H20K 0.9600 . ?
C20B H20L 0.9600 . ?
C15A C14A 1.421(6) . ?
C15A C19A 1.499(6) . ?
C20A H20G 0.9600 . ?
C20A H20H 0.9600 . ?
C20A H20I 0.9600 . ?
C13C C14C 1.432(5) . ?
C13C C17C 1.502(5) . ?
C7A C8A 1.421(6) . ?
C7A C6A 1.422(6) . ?
C7A C11A 1.514(5) . ?
C15B C14B 1.422(5) . ?
C15B C19B 1.499(5) . ?
C5A C6A 1.430(6) . ?
C5A C9A 1.498(6) . ?
C21A C22A 1.393(8) . ?
C21A C26A 1.381(7) . ?
C27B C28B 1.381(7) . ?
C27B C32B 1.385(6) . ?
C28B C29B 1.375(6) . ?
C32C C31C 1.381(6) . ?
C14B C18B 1.506(5) . ?
C13D C14D 1.431(6) . ?
C13D C17D 1.499(6) . ?
C8B C7B 1.424(7) . ?
C8B C12B 1.513(6) . ?
C14A C13A 1.422(6) . ?
C14A C18A 1.503(6) . ?
C21C C26C 1.384(7) . ?
C21C C22C 1.384(6) . ?
C8A C12A 1.503(6) . ?
C26D C25D 1.378(6) . ?
C23D C24D 1.377(8) . ?
C30C C31C 1.375(7) . ?
C30C C29C 1.377(7) . ?
C14C C18C 1.502(5) . ?
O1D C1D 1.125(7) . ?
C28D C29D 1.385(6) . ?
C24B C23B 1.375(7) . ?
C24B C25B 1.381(7) . ?
C5C C9C 1.494(6) . ?
C14D C15D 1.416(7) . ?
C14D C18D 1.507(6) . ?
C5B C6B 1.417(7) . ?
C5B C9B 1.501(7) . ?
C22B C23B 1.382(6) . ?
C16D C15D 1.408(7) . ?
C16D C20D 1.507(6) . ?
C28C C29C 1.383(6) . ?
C7B C6B 1.417(8) . ?
C7B C11B 1.501(7) . ?
C13A C17A 1.509(5) . ?
C25D C24D 1.385(8) . ?
C20C H20A 0.9600 . ?
C20C H20B 0.9600 . ?
C20C H20C 0.9600 . ?
C8C C7C 1.420(6) . ?
C8C C12C 1.499(6) . ?
C32B C31B 1.387(7) . ?
C32A C31A 1.381(6) . ?
C31D C30D 1.381(6) . ?
C29D C30D 1.372(6) . ?
C26B C25B 1.367(7) . ?
C17B H17J 0.9600 . ?
C17B H17K 0.9600 . ?
C17B H17L 0.9600 . ?
C6B C10B 1.504(6) . ?
C22A C23A 1.382(7) . ?
C7C C11C 1.500(6) . ?
C6A C10A 1.497(6) . ?
C15D C19D 1.511(6) . ?
C26C C25C 1.369(7) . ?
C5D C6D 1.414(9) . ?
C5D C9D 1.495(9) . ?
C10C H10A 0.9600 . ?
C10C H10B 0.9600 . ?
C10C H10C 0.9600 . ?
C11C H11A 0.9600 . ?
C11C H11B 0.9600 . ?
C11C H11C 0.9600 . ?
C9B H9BA 0.9600 . ?
C9B H9BB 0.9600 . ?
C9B H9BC 0.9600 . ?
C28A C29A 1.373(8) . ?
C31A C30A 1.370(8) . ?
C17C H17A 0.9600 . ?
C17C H17B 0.9600 . ?
C17C H17C 0.9600 . ?
C19C H19A 0.9600 . ?
C19C H19B 0.9600 . ?
C19C H19C 0.9600 . ?
C30A C29A 1.375(8) . ?
C22C C23C 1.388(7) . ?
C20D H20D 0.9600 . ?
C20D H20E 0.9600 . ?
C20D H20F 0.9600 . ?
C8D C7D 1.426(8) . ?
C8D C12D 1.502(9) . ?
C17A H17G 0.9600 . ?
C17A H17H 0.9600 . ?
C17A H17I 0.9600 . ?
C18C H18A 0.9600 . ?
C18C H18B 0.9600 . ?
C18C H18C 0.9600 . ?
C12B H12J 0.9600 . ?
C12B H12K 0.9600 . ?
C12B H12L 0.9600 . ?
C17D H17D 0.9600 . ?
C17D H17E 0.9600 . ?
C17D H17F 0.9600 . ?
C18A H18G 0.9600 . ?
C18A H18H 0.9600 . ?
C18A H18I 0.9600 . ?
C19B H19J 0.9600 . ?
C19B H19K 0.9600 . ?
C19B H19L 0.9600 . ?
C18B H18J 0.9600 . ?
C18B H18K 0.9600 . ?
C18B H18L 0.9600 . ?
C29B C30B 1.378(9) . ?
C7D C6D 1.422(11) . ?
C7D C11D 1.511(8) . ?
C11A H11G 0.9600 . ?
C11A H11H 0.9600 . ?
C11A H11I 0.9600 . ?
C26A C25A 1.375(8) . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?
C30B C31B 1.374(10) . ?
C6D C10D 1.511(8) . ?
C24C C23C 1.372(10) . ?
C24C C25C 1.368(10) . ?
C23A C24A 1.380(10) . ?
C10A H10G 0.9600 . ?
C10A H10H 0.9600 . ?
C10A H10I 0.9600 . ?
C12C H12A 0.9600 . ?
C12C H12B 0.9600 . ?
C12C H12C 0.9600 . ?
C25A C24A 1.369(11) . ?
C12A H12G 0.9600 . ?
C12A H12H 0.9600 . ?
C12A H12I 0.9600 . ?
C19A H19G 0.9600 . ?
C19A H19H 0.9600 . ?
C19A H19I 0.9600 . ?
C9C H9CA 0.9600 . ?
C9C H9CB 0.9600 . ?
C9C H9CC 0.9600 . ?
C12D H12D 0.9600 . ?
C12D H12E 0.9600 . ?
C12D H12F 0.9600 . ?
C9D H9DA 0.9600 . ?
C9D H9DB 0.9600 . ?
C9D H9DC 0.9600 . ?
C19D H19D 0.9600 . ?
C19D H19E 0.9600 . ?
C19D H19F 0.9600 . ?
C18D H18D 0.9600 . ?
C18D H18E 0.9600 . ?
C18D H18F 0.9600 . ?
C10B H10J 0.9600 . ?
C10B H10K 0.9600 . ?
C10B H10L 0.9600 . ?
C11B H11J 0.9600 . ?
C11B H11K 0.9600 . ?
C11B H11L 0.9600 . ?
C10D H10D 0.9600 . ?
C10D H10E 0.9600 . ?
C10D H10F 0.9600 . ?
C11D H11D 0.9600 . ?
C11D H11E 0.9600 . ?
C11D H11F 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au2D C27D C32D F10D -3.7(6) . . . . ?
Au2D C27D C32D C31D 173.6(4) . . . . ?
Au2D C27D C28D F6D 4.6(6) . . . . ?
Au2D C27D C28D C29D -174.0(4) . . . . ?
Au2D C21D C22D F1D -1.0(6) . . . . ?
Au2D C21D C22D C23D 178.9(4) . . . . ?
Au2D C21D C26D F5D 1.2(7) . . . . ?
Au2D C21D C26D C25D -178.2(4) . . . . ?
Au2B C21B C22B F1B -4.7(6) . . . . ?
Au2B C21B C22B C23B 175.2(4) . . . . ?
Au2B C21B C26B F5B 5.3(6) . . . . ?
Au2B C21B C26B C25B -174.8(4) . . . . ?
Au2B C27B C28B F6B 3.4(6) . . . . ?
Au2B C27B C28B C29B -175.8(4) . . . . ?
Au2B C27B C32B F10B -4.4(7) . . . . ?
Au2B C27B C32B C31B 175.0(4) . . . . ?
Au04 C27C C32C F10C -2.8(7) . . . . ?
Au04 C27C C32C C31C 175.3(4) . . . . ?
Au04 C27C C28C F6C 2.7(6) . . . . ?
Au04 C27C C28C C29C -177.1(4) . . . . ?
Au04 C21C C26C F5C 1.5(7) . . . . ?
Au04 C21C C26C C25C -179.8(4) . . . . ?
Au04 C21C C22C F1C 0.1(7) . . . . ?
Au04 C21C C22C C23C -179.1(4) . . . . ?
Au2A C27A C32A F10A -6.8(6) . . . . ?
Au2A C27A C32A C31A 172.7(4) . . . . ?
Au2A C27A C28A F6A 5.9(7) . . . . ?
Au2A C27A C28A C29A -173.9(4) . . . . ?
Au2A C21A C22A F1A -4.1(7) . . . . ?
Au2A C21A C22A C23A 175.3(4) . . . . ?
Au2A C21A C26A F5A 3.7(7) . . . . ?
Au2A C21A C26A C25A -175.0(5) . . . . ?
As2B C16B C15B Co2B 67.3(2) . . . . ?
As2B C16B C15B C14B 11.1(5) . . . . ?
As2B C16B C15B C19B -167.2(4) . . . . ?
As2B C13B C14B Co2B -67.7(2) . . . . ?
As2B C13B C14B C15B -11.9(5) . . . . ?
As2B C13B C14B C18B 168.0(4) . . . . ?
As2C C16C C15C Co2C 67.0(2) . . . . ?
As2C C16C C15C C14C 11.2(5) . . . . ?
As2C C16C C15C C19C -168.1(4) . . . . ?
As2C C13C C14C Co2C -66.9(2) . . . . ?
As2C C13C C14C C15C -10.7(5) . . . . ?
As2C C13C C14C C18C 168.6(4) . . . . ?
As1B C8B C7B Co1B -66.6(3) . . . . ?
As1B C8B C7B C6B -10.2(6) . . . . ?
As1B C8B C7B C11B 168.2(4) . . . . ?
As1B C5B C6B Co1B 66.8(2) . . . . ?
As1B C5B C6B C7B 10.8(6) . . . . ?
As1B C5B C6B C10B -168.5(4) . . . . ?
As2D C13D C14D Co2D -67.7(2) . . . . ?
As2D C13D C14D C15D -11.4(5) . . . . ?
As2D C13D C14D C18D 167.5(4) . . . . ?
As2D C16D C15D Co2D 66.8(3) . . . . ?
As2D C16D C15D C14D 10.8(6) . . . . ?
As2D C16D C15D C19D -169.1(4) . . . . ?
As2A C16A C15A Co2A 66.4(2) . . . . ?
As2A C16A C15A C14A 9.8(5) . . . . ?
As2A C16A C15A C19A -167.8(4) . . . . ?
As1D C5D C6D Co1D 65.9(3) . . . . ?
As1D C5D C6D C7D 9.3(6) . . . . ?
As1D C5D C6D C10D -169.6(5) . . . . ?
As1D C8D C7D Co1D -66.8(3) . . . . ?
As1D C8D C7D C6D -11.1(6) . . . . ?
As1D C8D C7D C11D 168.4(5) . . . . ?
As1A C5A C6A Co1A 66.4(2) . . . . ?
As1A C5A C6A C7A 10.6(5) . . . . ?
As1A C5A C6A C10A -169.2(4) . . . . ?
As1C C8C C7C Co1C -66.7(2) . . . . ?
As1C C8C C7C C6C -11.2(5) . . . . ?
As1C C8C C7C C11C 168.6(4) . . . . ?
Co2C C16C C15C C14C -55.8(3) . . . . ?
Co2C C16C C15C C19C 124.8(4) . . . . ?
Co2C C15C C14C C13C -55.8(3) . . . . ?
Co2C C15C C14C C18C 124.9(5) . . . . ?
Co2C C13C C14C C15C 56.3(3) . . . . ?
Co2C C13C C14C C18C -124.4(5) . . . . ?
Co1C C6C C5C As1C 66.0(2) . . . . ?
Co1C C6C C5C C9C -124.3(5) . . . . ?
Co1C C6C C7C C8C -55.2(4) . . . . ?
Co1C C6C C7C C11C 125.0(5) . . . . ?
Co1C C8C C7C C6C 55.4(4) . . . . ?
Co1C C8C C7C C11C -124.7(5) . . . . ?
Co1A C7A C8A As1A -66.5(2) . . . . ?
Co1A C7A C8A C12A 125.0(5) . . . . ?
Co1A C7A C6A C5A 55.6(4) . . . . ?
Co1A C7A C6A C10A -124.6(5) . . . . ?
Co1A C5A C6A C7A -55.8(4) . . . . ?
Co1A C5A C6A C10A 124.4(5) . . . . ?
Co2B C16B C15B C14B -56.2(3) . . . . ?
Co2B C16B C15B C19B 125.5(4) . . . . ?
Co2B C13B C14B C15B 55.8(3) . . . . ?
Co2B C13B C14B C18B -124.3(4) . . . . ?
Co2B C15B C14B C13B -55.0(3) . . . . ?
Co2B C15B C14B C18B 125.1(4) . . . . ?
Co2A C16A C15A C14A -56.6(3) . . . . ?
Co2A C16A C15A C19A 125.7(5) . . . . ?
Co2A C15A C14A C13A -54.4(3) . . . . ?
Co2A C15A C14A C18A 127.4(5) . . . . ?
Co2A C14A C13A As2A -68.1(2) . . . . ?
Co2A C14A C13A C17A 123.0(5) . . . . ?
Co1B C8B C7B C6B 56.4(4) . . . . ?
Co1B C8B C7B C11B -125.2(5) . . . . ?
Co1B C5B C6B C7B -56.0(4) . . . . ?
Co1B C5B C6B C10B 124.6(5) . . . . ?
Co1B C7B C6B C5B 55.6(4) . . . . ?
Co1B C7B C6B C10B -125.0(5) . . . . ?
Co2D C13D C14D C15D 56.3(4) . . . . ?
Co2D C13D C14D C18D -124.8(5) . . . . ?
Co2D C14D C15D C16D 55.9(4) . . . . ?
Co2D C14D C15D C19D -124.3(5) . . . . ?
Co2D C16D C15D C14D -55.9(4) . . . . ?
Co2D C16D C15D C19D 124.2(5) . . . . ?
Co1D C5D C6D C7D -56.6(4) . . . . ?
Co1D C5D C6D C10D 124.5(6) . . . . ?
Co1D C8D C7D C6D 55.7(4) . . . . ?
Co1D C8D C7D C11D -124.9(6) . . . . ?
Co1D C7D C6D C5D 56.5(4) . . . . ?
Co1D C7D C6D C10D -124.6(6) . . . . ?
F6D C28D C29D F7D 1.2(7) . . . . ?
F6D C28D C29D C30D -179.0(4) . . . . ?
F6B C28B C29B F7B 0.4(8) . . . . ?
F6B C28B C29B C30B -178.2(5) . . . . ?
F6C C28C C29C F7C 0.0(7) . . . . ?
F6C C28C C29C C30C -178.4(4) . . . . ?
F1B C22B C23B F2B 0.0(7) . . . . ?
F1B C22B C23B C24B -179.9(4) . . . . ?
F9D C31D C30D F8D -0.6(7) . . . . ?
F9D C31D C30D C29D 178.3(4) . . . . ?
F1D C22D C23D F2D -0.4(7) . . . . ?
F1D C22D C23D C24D 179.4(5) . . . . ?
F10D C32D C31D F9D 0.4(7) . . . . ?
F10D C32D C31D C30D 178.7(4) . . . . ?
F1C C22C C23C F2C -0.7(8) . . . . ?
F1C C22C C23C C24C 178.7(5) . . . . ?
F10A C32A C31A F9A 1.5(7) . . . . ?
F10A C32A C31A C30A -178.9(5) . . . . ?
F7D C29D C30D F8D -1.7(7) . . . . ?
F7D C29D C30D C31D 179.5(4) . . . . ?
F2D C23D C24D F3D 0.6(8) . . . . ?
F2D C23D C24D C25D -179.2(5) . . . . ?
F8C C30C C31C F9C -1.1(8) . . . . ?
F8C C30C C31C C32C -179.8(5) . . . . ?
F8C C30C C29C F7C -0.3(7) . . . . ?
F8C C30C C29C C28C 178.2(4) . . . . ?
F3B C24B C23B F2B 0.0(8) . . . . ?
F3B C24B C23B C22B 179.9(4) . . . . ?
F3B C24B C25B F4B 0.8(8) . . . . ?
F3B C24B C25B C26B -179.4(5) . . . . ?
F5B C26B C25B F4B -1.5(7) . . . . ?
F5B C26B C25B C24B 178.7(4) . . . . ?
F10C C32C C31C F9C 1.5(7) . . . . ?
F10C C32C C31C C30C -179.9(4) . . . . ?
F5D C26D C25D F4D -0.2(8) . . . . ?
F5D C26D C25D C24D 179.6(5) . . . . ?
F1A C22A C23A F2A 0.3(8) . . . . ?
F1A C22A C23A C24A 179.4(5) . . . . ?
F8A C30A C29A F7A -1.0(8) . . . . ?
F8A C30A C29A C28A 178.2(5) . . . . ?
F9A C31A C30A F8A 0.0(8) . . . . ?
F9A C31A C30A C29A 179.3(5) . . . . ?
F4D C25D C24D F3D -0.3(9) . . . . ?
F4D C25D C24D C23D 179.5(5) . . . . ?
F5C C26C C25C F4C -2.8(8) . . . . ?
F5C C26C C25C C24C 178.7(5) . . . . ?
F10B C32B C31B F9B 0.1(8) . . . . ?
F10B C32B C31B C30B 180.0(5) . . . . ?
F6A C28A C29A F7A 0.6(8) . . . . ?
F6A C28A C29A C30A -178.6(5) . . . . ?
F5A C26A C25A F4A 0.0(9) . . . . ?
F5A C26A C25A C24A -179.2(6) . . . . ?
F7B C29B C30B F8B 1.9(8) . . . . ?
F7B C29B C30B C31B 179.4(5) . . . . ?
F8B C30B C31B F9B -1.4(9) . . . . ?
F8B C30B C31B C32B 178.7(5) . . . . ?
F2A C23A C24A F3A -0.8(9) . . . . ?
F2A C23A C24A C25A -179.5(6) . . . . ?
F3C C24C C23C F2C 0.2(9) . . . . ?
F3C C24C C23C C22C -179.1(5) . . . . ?
F3C C24C C25C F4C 1.5(9) . . . . ?
F3C C24C C25C C26C -179.9(5) . . . . ?
F4A C25A C24A F3A 0.8(10) . . . . ?
F4A C25A C24A C23A 179.6(6) . . . . ?
C21B C22B C23B F2B -179.9(5) . . . . ?
C21B C22B C23B C24B 0.1(8) . . . . ?
C21B C26B C25B F4B 178.6(5) . . . . ?
C21B C26B C25B C24B -1.3(8) . . . . ?
C27D C32D C31D F9D -177.1(4) . . . . ?
C27D C32D C31D C30D 1.2(7) . . . . ?
C27D C28D C29D F7D 179.8(4) . . . . ?
C27D C28D C29D C30D -0.4(7) . . . . ?
C16B C15B C14B Co2B 55.6(3) . . . . ?
C16B C15B C14B C13B 0.5(6) . . . . ?
C16B C15B C14B C18B -179.3(4) . . . . ?
C27C C32C C31C F9C -176.7(5) . . . . ?
C27C C32C C31C C30C 2.0(8) . . . . ?
C27C C28C C29C F7C 179.8(4) . . . . ?
C27C C28C C29C C30C 1.4(7) . . . . ?
C16C C15C C14C Co2C 55.4(3) . . . . ?
C16C C15C C14C C13C -0.4(6) . . . . ?
C16C C15C C14C C18C -179.7(4) . . . . ?
C32D C27D C28D F6D 180.0(4) . . . . ?
C32D C27D C28D C29D 1.4(7) . . . . ?
C32D C31D C30D F8D -178.9(4) . . . . ?
C32D C31D C30D C29D -0.1(7) . . . . ?
C21D C22D C23D F2D 179.7(5) . . . . ?
C21D C22D C23D C24D -0.5(8) . . . . ?
C21D C26D C25D F4D 179.3(5) . . . . ?
C21D C26D C25D C24D -0.8(9) . . . . ?
C27A C32A C31A F9A -178.0(5) . . . . ?
C27A C32A C31A C30A 1.6(8) . . . . ?
C27A C28A C29A F7A -179.6(5) . . . . ?
C27A C28A C29A C30A 1.3(8) . . . . ?
C16A C15A C14A Co2A 56.4(3) . . . . ?
C16A C15A C14A C13A 1.9(6) . . . . ?
C16A C15A C14A C18A -176.2(4) . . . . ?
C22D C21D C26D F5D -179.2(4) . . . . ?
C22D C21D C26D C25D 1.3(8) . . . . ?
C22D C23D C24D F3D -179.2(5) . . . . ?
C22D C23D C24D C25D 1.0(8) . . . . ?
C20B C16B C15B Co2B -124.6(4) . . . . ?
C20B C16B C15B C14B 179.2(4) . . . . ?
C20B C16B C15B C19B 0.9(7) . . . . ?
C15A C14A C13A As2A -12.7(5) . . . . ?
C15A C14A C13A Co2A 55.4(4) . . . . ?
C15A C14A C13A C17A 178.4(4) . . . . ?
C20A C16A C15A Co2A -123.9(4) . . . . ?
C20A C16A C15A C14A 179.4(4) . . . . ?
C20A C16A C15A C19A 1.8(7) . . . . ?
C21A C22A C23A F2A -179.1(5) . . . . ?
C21A C22A C23A C24A 0.0(9) . . . . ?
C21A C26A C25A F4A 178.7(5) . . . . ?
C21A C26A C25A C24A -0.4(10) . . . . ?
C27B C28B C29B F7B 179.6(5) . . . . ?
C27B C28B C29B C30B 1.0(8) . . . . ?
C27B C32B C31B F9B -179.4(5) . . . . ?
C27B C32B C31B C30B 0.5(8) . . . . ?
C28B C27B C32B F10B 179.1(4) . . . . ?
C28B C27B C32B C31B -1.4(7) . . . . ?
C28B C29B C30B F8B -179.5(5) . . . . ?
C28B C29B C30B C31B -2.0(9) . . . . ?
C32C C27C C28C F6C 179.9(4) . . . . ?
C32C C27C C28C C29C 0.1(7) . . . . ?
C13D C14D C15D Co2D -55.5(4) . . . . ?
C13D C14D C15D C16D 0.4(6) . . . . ?
C13D C14D C15D C19D -179.7(5) . . . . ?
C8B C7B C6B Co1B -56.1(4) . . . . ?
C8B C7B C6B C5B -0.5(6) . . . . ?
C8B C7B C6B C10B 178.9(5) . . . . ?
C21C C26C C25C F4C 178.5(5) . . . . ?
C21C C26C C25C C24C 0.0(9) . . . . ?
C21C C22C C23C F2C 178.6(5) . . . . ?
C21C C22C C23C C24C -2.0(9) . . . . ?
C8A C7A C6A Co1A -56.0(3) . . . . ?
C8A C7A C6A C5A -0.4(6) . . . . ?
C8A C7A C6A C10A 179.4(4) . . . . ?
C26D C21D C22D F1D 179.5(4) . . . . ?
C26D C21D C22D C23D -0.6(7) . . . . ?
C26D C25D C24D F3D 179.8(5) . . . . ?
C26D C25D C24D C23D -0.3(8) . . . . ?
C28D C27D C32D F10D -179.2(4) . . . . ?
C28D C27D C32D C31D -1.8(7) . . . . ?
C28D C29D C30D F8D 178.6(4) . . . . ?
C28D C29D C30D C31D -0.3(7) . . . . ?
C5C C6C C7C Co1C 56.5(3) . . . . ?
C5C C6C C7C C8C 1.4(6) . . . . ?
C5C C6C C7C C11C -178.5(4) . . . . ?
C22B C21B C26B F5B -178.4(4) . . . . ?
C22B C21B C26B C25B 1.5(7) . . . . ?
C28C C27C C32C F10C -179.8(4) . . . . ?
C28C C27C C32C C31C -1.7(7) . . . . ?
C20C C16C C15C Co2C -124.8(4) . . . . ?
C20C C16C C15C C14C 179.3(4) . . . . ?
C20C C16C C15C C19C 0.0(7) . . . . ?
C32B C27B C28B F6B 179.8(4) . . . . ?
C32B C27B C28B C29B 0.6(7) . . . . ?
C31C C30C C29C F7C -179.6(4) . . . . ?
C31C C30C C29C C28C -1.1(7) . . . . ?
C32A C27A C28A F6A 179.8(4) . . . . ?
C32A C27A C28A C29A -0.1(7) . . . . ?
C32A C31A C30A F8A -179.6(5) . . . . ?
C32A C31A C30A C29A -0.3(8) . . . . ?
C23B C24B C25B F4B -179.5(5) . . . . ?
C23B C24B C25B C26B 0.3(8) . . . . ?
C29C C30C C31C F9C 178.2(5) . . . . ?
C29C C30C C31C C32C -0.4(8) . . . . ?
C26B C21B C22B F1B 179.1(4) . . . . ?
C26B C21B C22B C23B -0.9(7) . . . . ?
C17B C13B C14B Co2B 123.2(5) . . . . ?
C17B C13B C14B C15B 179.0(4) . . . . ?
C17B C13B C14B C18B -1.1(7) . . . . ?
C22A C21A C26A F5A -179.6(5) . . . . ?
C22A C21A C26A C25A 1.7(8) . . . . ?
C22A C23A C24A F3A -179.8(5) . . . . ?
C22A C23A C24A C25A 1.4(9) . . . . ?
C7C C6C C5C As1C 9.1(5) . . . . ?
C7C C6C C5C Co1C -56.9(4) . . . . ?
C7C C6C C5C C9C 178.8(5) . . . . ?
C6A C7A C8A As1A -10.0(5) . . . . ?
C6A C7A C8A Co1A 56.5(3) . . . . ?
C6A C7A C8A C12A -178.4(4) . . . . ?
C26C C21C C22C F1C -179.8(4) . . . . ?
C26C C21C C22C C23C 0.9(8) . . . . ?
C10C C6C C5C As1C -170.3(4) . . . . ?
C10C C6C C5C Co1C 123.7(5) . . . . ?
C10C C6C C5C C9C -0.6(8) . . . . ?
C10C C6C C7C Co1C -124.1(5) . . . . ?
C10C C6C C7C C8C -179.2(4) . . . . ?
C10C C6C C7C C11C 1.0(8) . . . . ?
C9B C5B C6B Co1B -124.8(5) . . . . ?
C9B C5B C6B C7B 179.1(5) . . . . ?
C9B C5B C6B C10B -0.2(8) . . . . ?
C28A C27A C32A F10A 179.1(4) . . . . ?
C28A C27A C32A C31A -1.3(7) . . . . ?
C31A C30A C29A F7A 179.8(5) . . . . ?
C31A C30A C29A C28A -1.0(8) . . . . ?
C17C C13C C14C Co2C 123.2(5) . . . . ?
C17C C13C C14C C15C 179.5(4) . . . . ?
C17C C13C C14C C18C -1.2(8) . . . . ?
C19C C15C C14C Co2C -125.2(4) . . . . ?
C19C C15C C14C C13C 178.9(4) . . . . ?
C19C C15C C14C C18C -0.4(7) . . . . ?
C22C C21C C26C F5C -178.5(5) . . . . ?
C22C C21C C26C C25C 0.1(8) . . . . ?
C20D C16D C15D Co2D -124.8(5) . . . . ?
C20D C16D C15D C14D 179.3(5) . . . . ?
C20D C16D C15D C19D -0.6(8) . . . . ?
C25B C24B C23B F2B -179.7(5) . . . . ?
C25B C24B C23B C22B 0.2(8) . . . . ?
C8D C7D C6D Co1D -55.4(4) . . . . ?
C8D C7D C6D C5D 1.2(7) . . . . ?
C8D C7D C6D C10D -180.0(5) . . . . ?
C12B C8B C7B Co1B 124.2(5) . . . . ?
C12B C8B C7B C6B -179.4(5) . . . . ?
C12B C8B C7B C11B -1.0(8) . . . . ?
C17D C13D C14D Co2D 123.2(5) . . . . ?
C17D C13D C14D C15D 179.5(5) . . . . ?
C17D C13D C14D C18D -1.6(8) . . . . ?
C18A C14A C13A As2A 165.4(4) . . . . ?
C18A C14A C13A Co2A -126.5(5) . . . . ?
C18A C14A C13A C17A -3.5(7) . . . . ?
C19B C15B C14B Co2B -126.1(4) . . . . ?
C19B C15B C14B C13B 178.8(4) . . . . ?
C19B C15B C14B C18B -1.1(7) . . . . ?
C29B C30B C31B F9B -178.9(5) . . . . ?
C29B C30B C31B C32B 1.2(9) . . . . ?
C11A C7A C8A As1A 168.7(4) . . . . ?
C11A C7A C8A Co1A -124.7(5) . . . . ?
C11A C7A C8A C12A 0.3(8) . . . . ?
C11A C7A C6A Co1A 125.3(5) . . . . ?
C11A C7A C6A C5A -179.1(4) . . . . ?
C11A C7A C6A C10A 0.7(8) . . . . ?
C26A C21A C22A F1A 179.2(5) . . . . ?
C26A C21A C22A C23A -1.5(8) . . . . ?
C26A C25A C24A F3A -180.0(6) . . . . ?
C26A C25A C24A C23A -1.2(10) . . . . ?
C9A C5A C6A Co1A -124.5(5) . . . . ?
C9A C5A C6A C7A 179.7(5) . . . . ?
C9A C5A C6A C10A -0.1(8) . . . . ?
C12C C8C C7C Co1C 126.0(5) . . . . ?
C12C C8C C7C C6C -178.5(5) . . . . ?
C12C C8C C7C C11C 1.3(8) . . . . ?
C19A C15A C14A Co2A -126.0(5) . . . . ?
C19A C15A C14A C13A 179.6(4) . . . . ?
C19A C15A C14A C18A 1.4(8) . . . . ?
C23C C24C C25C F4C -179.7(5) . . . . ?
C23C C24C C25C C26C -1.1(9) . . . . ?
C12D C8D C7D Co1D 123.8(6) . . . . ?
C12D C8D C7D C6D 179.5(5) . . . . ?
C12D C8D C7D C11D -1.0(9) . . . . ?
C9D C5D C6D Co1D -124.6(5) . . . . ?
C9D C5D C6D C7D 178.8(5) . . . . ?
C9D C5D C6D C10D -0.1(9) . . . . ?
C25C C24C C23C F2C -178.6(5) . . . . ?
C25C C24C C23C C22C 2.1(9) . . . . ?
C18D C14D C15D Co2D 125.6(5) . . . . ?
C18D C14D C15D C16D -178.5(5) . . . . ?
C18D C14D C15D C19D 1.3(8) . . . . ?
C11B C7B C6B Co1B 125.5(6) . . . . ?
C11B C7B C6B C5B -178.8(5) . . . . ?
C11B C7B C6B C10B 0.5(8) . . . . ?
C11D C7D C6D Co1D 125.2(6) . . . . ?
C11D C7D C6D C5D -178.3(6) . . . . ?
C11D C7D C6D C10D 0.6(10) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
9.2785 -0.4447 1.0943 0.2313 0.9668 -0.1086
-9.2117 -0.6233 -1.1098 -0.2288 -0.9558 0.1848
0.9011 -13.8653 -0.1973 0.0327 0.1469 0.9886
-4.8444 -11.1601 -0.8215 -0.1123 -0.4611 0.8802
-1.1586 13.8560 0.1664 -0.0391 -0.1736 -0.9840
-0.0589 -2.0054 -14.1234 0.7941 -0.4865 0.3644
-0.0047 0.3353 14.6302 -0.8255 0.5054 -0.2513
-8.9029 1.1206 9.5267 -0.8184 -0.5640 -0.1100
7.9354 -0.1655 -11.8544 0.9196 0.3823 0.0903
