#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/16/7001671.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_7001671
loop_
_publ_author_name
'Chandrasekaran, P.'
'Mague, Joel T.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Gold(i) complexes of cyclodiphosphazanes cis-{RP(μ-NtBu)}2: structure
 of a novel tetranuclear gold(i) macrocycle,
 [{Au{(o-MeOC6H4O)P(μ-NtBu)}2}4](ClO4)4
;
_journal_issue                   28
_journal_name_full               'Dalton Transactions'
_journal_page_first              5478
_journal_page_last               5486
_journal_paper_doi               10.1039/b903075a
_journal_year                    2009
_chemical_formula_sum            'C88 H128 Au4 Cl4 N8 O34.5 P8'
_chemical_formula_weight         3027.41
_chemical_name_common
;
cyclo-tetra(mu-1,3-di-tert-butyl-2,4-bis(o-methoxyphenoxy)
(1,3,2,4)diazadiphpsphetidine-1kappaP:2kappaP')tetragold(i) perchlorate
hydrate
;
_chemical_name_systematic
;
cyclo-tetra(μ-1,3-di-tert-butyl-2,4-bis(o-methoxyphenoxy)
[1,3,2,4]diazadiphpsphetidine-1\kP:2\kP')tetragold(I)
perchlorate hydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.852(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.963(2)
_cell_length_b                   23.774(2)
_cell_length_c                   33.140(3)
_cell_measurement_reflns_used    8010
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.29
_cell_measurement_theta_min      2.58
_cell_volume                     11971(2)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0819
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            144759
_diffrn_reflns_theta_full        23.30
_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    5.158
_exptl_absorpt_correction_T_max  0.6792
_exptl_absorpt_correction_T_min  0.5063
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             5968
_exptl_crystal_size_max          0.208
_exptl_crystal_size_mid          0.145
_exptl_crystal_size_min          0.075
_refine_diff_density_max         2.394
_refine_diff_density_min         -1.616
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1381
_refine_ls_number_reflns         17250
_refine_ls_number_restraints     104
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0432P)²+42.2437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                13986
_reflns_number_total             17250
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b903075a.txt
_cod_data_source_block           msb268
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C88 H128 Au4 Cl4 N8 O34.50 P8'
_cod_database_code               7001671
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.759128(19) 0.520371(11) 0.690578(9) 0.01797(8) Uani 1 1 d . . .
Au2 Au 0.699801(19) 0.680071(11) 0.563971(9) 0.01898(8) Uani 1 1 d . . .
Au3 Au 0.664917(19) 0.847723(11) 0.660088(9) 0.01734(8) Uani 1 1 d . . .
Au4 Au 0.723008(19) 0.685106(11) 0.787729(9) 0.01680(8) Uani 1 1 d . . .
P1 P 0.68532(13) 0.51465(8) 0.61932(6) 0.0186(4) Uani 1 1 d . . .
P2 P 0.66071(13) 0.58735(8) 0.56278(6) 0.0192(4) Uani 1 1 d . . .
P3 P 0.74004(13) 0.77126(8) 0.56065(6) 0.0197(4) Uani 1 1 d . . .
P4 P 0.72325(13) 0.85219(8) 0.60490(6) 0.0206(4) Uani 1 1 d . . .
P5 P 0.60965(12) 0.83626(8) 0.71616(6) 0.0164(4) Uani 1 1 d . . .
P6 P 0.63655(12) 0.76416(8) 0.77294(6) 0.0162(4) Uani 1 1 d . . .
P7 P 0.81376(12) 0.60923(8) 0.80731(6) 0.0174(4) Uani 1 1 d . . .
P8 P 0.83276(13) 0.53055(8) 0.76140(6) 0.0178(4) Uani 1 1 d . . .
O1 O 0.6473(3) 0.45403(19) 0.60356(16) 0.0245(12) Uani 1 1 d . . .
O2 O 0.5751(5) 0.4253(3) 0.6639(2) 0.0510(18) Uani 1 1 d . . .
O3 O 0.6107(3) 0.56740(19) 0.51548(15) 0.0244(12) Uani 1 1 d . . .
O4 O 0.7326(4) 0.6025(2) 0.48095(19) 0.0444(17) Uani 1 1 d . . .
O5 O 0.7770(3) 0.7763(2) 0.52158(16) 0.0256(13) Uani 1 1 d . . .
O6 O 0.9385(4) 0.7581(3) 0.5220(2) 0.0482(17) Uani 1 1 d . . .
O7 O 0.7602(4) 0.9106(2) 0.59510(17) 0.0318(14) Uani 1 1 d . . .
O8 O 0.6943(4) 0.9831(3) 0.5360(2) 0.0494(17) Uani 1 1 d . . .
O9 O 0.5408(3) 0.88499(19) 0.71749(15) 0.0215(12) Uani 1 1 d . . .
O10 O 0.6062(3) 0.9819(2) 0.75300(18) 0.0292(13) Uani 1 1 d . . .
O11 O 0.5876(3) 0.77562(19) 0.80776(15) 0.0195(12) Uani 1 1 d . . .
O12 O 0.7327(3) 0.7514(2) 0.87183(16) 0.0270(13) Uani 1 1 d . . .
O13 O 0.8607(3) 0.61382(19) 0.85648(15) 0.0190(11) Uani 1 1 d . . .
O14 O 1.0092(4) 0.6640(3) 0.89641(18) 0.0378(15) Uani 1 1 d . . .
O15 O 0.9006(3) 0.48126(19) 0.78131(16) 0.0222(12) Uani 1 1 d . . .
O16 O 0.8495(4) 0.3795(2) 0.79618(18) 0.0329(14) Uani 1 1 d . . .
N1 N 0.7376(4) 0.5398(2) 0.58611(19) 0.0195(14) Uani 1 1 d . . .
N2 N 0.6061(4) 0.5603(2) 0.59428(19) 0.0195(14) Uani 1 1 d . . .
N3 N 0.8021(4) 0.8066(2) 0.60317(19) 0.0208(15) Uani 1 1 d . . .
N4 N 0.6643(4) 0.8210(2) 0.55937(18) 0.0204(14) Uani 1 1 d . . .
N5 N 0.5638(4) 0.7770(2) 0.72528(17) 0.0125(13) Uani 1 1 d . . .
N6 N 0.6807(4) 0.8253(2) 0.76464(18) 0.0163(14) Uani 1 1 d . . .
N7 N 0.8826(4) 0.5911(2) 0.77994(18) 0.0156(13) Uani 1 1 d . . .
N8 N 0.7711(4) 0.5448(2) 0.79349(18) 0.0177(14) Uani 1 1 d . . .
C1 C 0.8295(5) 0.5299(3) 0.5833(3) 0.0271(19) Uani 1 1 d . . .
C2 C 0.8809(5) 0.4969(4) 0.6219(3) 0.033(2) Uani 1 1 d . . .
H2A H 0.8868 0.5193 0.6474 0.050 Uiso 1 1 calc R . .
H2B H 0.9394 0.4882 0.6198 0.050 Uiso 1 1 calc R . .
H2C H 0.8497 0.4619 0.6234 0.050 Uiso 1 1 calc R . .
C3 C 0.8201(6) 0.4957(3) 0.5437(3) 0.033(2) Uani 1 1 d . . .
H3A H 0.7913 0.4598 0.5457 0.050 Uiso 1 1 calc R . .
H3B H 0.8784 0.4885 0.5408 0.050 Uiso 1 1 calc R . .
H3C H 0.7843 0.5166 0.5189 0.050 Uiso 1 1 calc R . .
C4 C 0.8726(6) 0.5860(3) 0.5819(3) 0.041(2) Uani 1 1 d . . .
H4A H 0.8373 0.6073 0.5572 0.061 Uiso 1 1 calc R . .
H4B H 0.9317 0.5801 0.5797 0.061 Uiso 1 1 calc R . .
H4C H 0.8766 0.6072 0.6078 0.061 Uiso 1 1 calc R . .
C5 C 0.5121(5) 0.5681(3) 0.5942(2) 0.0220(18) Uani 1 1 d . . .
C6 C 0.5085(5) 0.5587(4) 0.6392(2) 0.031(2) Uani 1 1 d . . .
H6A H 0.5256 0.5199 0.6479 0.046 Uiso 1 1 calc R . .
H6B H 0.4485 0.5655 0.6401 0.046 Uiso 1 1 calc R . .
H6C H 0.5491 0.5847 0.6587 0.046 Uiso 1 1 calc R . .
C7 C 0.4858(5) 0.6283(3) 0.5810(3) 0.031(2) Uani 1 1 d . . .
H7A H 0.5246 0.6542 0.6014 0.046 Uiso 1 1 calc R . .
H7B H 0.4248 0.6345 0.5805 0.046 Uiso 1 1 calc R . .
H7C H 0.4911 0.6351 0.5528 0.046 Uiso 1 1 calc R . .
C8 C 0.4543(5) 0.5262(3) 0.5638(3) 0.030(2) Uani 1 1 d . . .
H8A H 0.4591 0.5322 0.5353 0.046 Uiso 1 1 calc R . .
H8B H 0.3930 0.5313 0.5632 0.046 Uiso 1 1 calc R . .
H8C H 0.4734 0.4879 0.5732 0.046 Uiso 1 1 calc R . .
C9 C 0.6728(5) 0.4035(3) 0.6271(2) 0.0257(19) Uani 1 1 d . . .
C10 C 0.7319(6) 0.3690(3) 0.6164(3) 0.039(2) Uani 1 1 d . . .
H10 H 0.7608 0.3808 0.5967 0.047 Uiso 1 1 calc R . .
C11 C 0.7479(7) 0.3161(4) 0.6355(4) 0.062(4) Uani 1 1 d . . .
H11 H 0.7885 0.2913 0.6288 0.075 Uiso 1 1 calc R . .
C12 C 0.7064(8) 0.2998(4) 0.6632(4) 0.067(4) Uani 1 1 d . . .
H12 H 0.7166 0.2630 0.6750 0.080 Uiso 1 1 calc R . .
C13 C 0.6498(8) 0.3347(4) 0.6748(3) 0.052(3) Uani 1 1 d . . .
H13 H 0.6229 0.3230 0.6953 0.063 Uiso 1 1 calc R . .
C14 C 0.6319(6) 0.3878(4) 0.6563(3) 0.039(2) Uani 1 1 d . . .
C15 C 0.5179(8) 0.4065(4) 0.6873(4) 0.070(4) Uani 1 1 d . . .
H15A H 0.4797 0.3764 0.6715 0.104 Uiso 1 1 calc R . .
H15B H 0.4817 0.4380 0.6913 0.104 Uiso 1 1 calc R . .
H15C H 0.5533 0.3922 0.7150 0.104 Uiso 1 1 calc R . .
C16 C 0.5871(5) 0.6088(3) 0.4828(2) 0.0234(18) Uani 1 1 d . . .
C17 C 0.5040(5) 0.6291(3) 0.4695(2) 0.0248(19) Uani 1 1 d . . .
H17 H 0.4608 0.6158 0.4815 0.030 Uiso 1 1 calc R . .
C18 C 0.4831(6) 0.6699(3) 0.4381(3) 0.031(2) Uani 1 1 d . . .
H18 H 0.4257 0.6858 0.4290 0.037 Uiso 1 1 calc R . .
C19 C 0.5442(6) 0.6868(4) 0.4205(3) 0.036(2) Uani 1 1 d . . .
H19 H 0.5287 0.7142 0.3986 0.044 Uiso 1 1 calc R . .
C20 C 0.6281(6) 0.6658(3) 0.4331(3) 0.035(2) Uani 1 1 d . . .
H20 H 0.6703 0.6786 0.4203 0.042 Uiso 1 1 calc R . .
C21 C 0.6507(6) 0.6259(3) 0.4649(3) 0.031(2) Uani 1 1 d . . .
C22 C 0.8031(8) 0.6241(6) 0.4661(4) 0.084(5) Uani 1 1 d . . .
H22A H 0.7886 0.6176 0.4355 0.126 Uiso 1 1 calc R . .
H22B H 0.8581 0.6047 0.4809 0.126 Uiso 1 1 calc R . .
H22C H 0.8100 0.6645 0.4719 0.126 Uiso 1 1 calc R . .
C23 C 0.8955(5) 0.8007(3) 0.6315(3) 0.0246(18) Uani 1 1 d . . .
C24 C 0.9527(5) 0.8458(4) 0.6191(3) 0.034(2) Uani 1 1 d . . .
H24A H 0.9548 0.8384 0.5904 0.051 Uiso 1 1 calc R . .
H24B H 1.0124 0.8447 0.6391 0.051 Uiso 1 1 calc R . .
H24C H 0.9270 0.8831 0.6201 0.051 Uiso 1 1 calc R . .
C25 C 0.8961(5) 0.8115(3) 0.6771(2) 0.029(2) Uani 1 1 d . . .
H25A H 0.8796 0.8507 0.6800 0.044 Uiso 1 1 calc R . .
H25B H 0.9551 0.8044 0.6966 0.044 Uiso 1 1 calc R . .
H25C H 0.8538 0.7864 0.6841 0.044 Uiso 1 1 calc R . .
C26 C 0.9257(5) 0.7415(3) 0.6265(3) 0.036(2) Uani 1 1 d . . .
H26A H 0.8885 0.7145 0.6354 0.054 Uiso 1 1 calc R . .
H26B H 0.9870 0.7368 0.6441 0.054 Uiso 1 1 calc R . .
H26C H 0.9210 0.7348 0.5967 0.054 Uiso 1 1 calc R . .
C27 C 0.5672(5) 0.8213(3) 0.5379(2) 0.0230(18) Uani 1 1 d . . .
C87 C 0.8853(5) 0.3828(3) 0.7645(3) 0.028(2) Uani 1 1 d . . .
C86 C 0.8984(5) 0.3379(3) 0.7400(3) 0.035(2) Uani 1 1 d . . .
H86 H 0.8785 0.3013 0.7441 0.042 Uiso 1 1 calc R . .
C28 C 0.5194(6) 0.7858(4) 0.5619(3) 0.037(2) Uani 1 1 d . . .
H28A H 0.5390 0.7466 0.5626 0.056 Uiso 1 1 calc R . .
H28B H 0.4559 0.7878 0.5477 0.056 Uiso 1 1 calc R . .
H28C H 0.5324 0.8000 0.5910 0.056 Uiso 1 1 calc R . .
C83 C 0.9568(5) 0.4441(3) 0.7269(3) 0.032(2) Uani 1 1 d . . .
H83 H 0.9774 0.4805 0.7227 0.038 Uiso 1 1 calc R . .
C29 C 0.5374(6) 0.8816(4) 0.5350(3) 0.049(3) Uani 1 1 d . . .
H29A H 0.5516 0.8977 0.5636 0.074 Uiso 1 1 calc R . .
H29B H 0.4736 0.8834 0.5213 0.074 Uiso 1 1 calc R . .
H29C H 0.5674 0.9032 0.5184 0.074 Uiso 1 1 calc R . .
C30 C 0.5522(6) 0.7968(4) 0.4946(3) 0.044(2) Uani 1 1 d . . .
H30A H 0.5844 0.8190 0.4792 0.066 Uiso 1 1 calc R . .
H30B H 0.4892 0.7976 0.4790 0.066 Uiso 1 1 calc R . .
H30C H 0.5733 0.7579 0.4971 0.066 Uiso 1 1 calc R . .
C31 C 0.8229(6) 0.8221(3) 0.5108(2) 0.031(2) Uani 1 1 d . . .
C32 C 0.7836(6) 0.8728(3) 0.4996(3) 0.036(2) Uani 1 1 d . . .
H32 H 0.7257 0.8797 0.5006 0.044 Uiso 1 1 calc R . .
C33 C 0.8325(7) 0.9152(4) 0.4863(3) 0.045(3) Uani 1 1 d . . .
H33 H 0.8066 0.9509 0.4774 0.054 Uiso 1 1 calc R . .
C34 C 0.9159(7) 0.9046(4) 0.4865(3) 0.045(3) Uani 1 1 d . . .
H34 H 0.9480 0.9335 0.4780 0.054 Uiso 1 1 calc R . .
C35 C 0.9559(7) 0.8532(4) 0.4984(3) 0.045(3) Uani 1 1 d . . .
H35 H 1.0149 0.8472 0.4988 0.054 Uiso 1 1 calc R . .
C36 C 0.9085(6) 0.8103(4) 0.5100(3) 0.033(2) Uani 1 1 d . . .
C37 C 1.0273(8) 0.7457(5) 0.5237(5) 0.090(4) Uani 1 1 d . . .
H37A H 1.0311 0.7427 0.4948 0.134 Uiso 1 1 calc R . .
H37B H 1.0454 0.7100 0.5386 0.134 Uiso 1 1 calc R . .
H37C H 1.0662 0.7759 0.5388 0.134 Uiso 1 1 calc R . .
C38 C 0.7443(5) 0.9653(3) 0.6081(3) 0.033(2) Uani 1 1 d . . .
C39 C 0.7694(5) 0.9787(4) 0.6501(3) 0.036(2) Uani 1 1 d . . .
H39 H 0.7930 0.9514 0.6715 0.043 Uiso 1 1 calc R . .
C40 C 0.7583(6) 1.0355(4) 0.6600(3) 0.045(3) Uani 1 1 d . . .
H40 H 0.7723 1.0468 0.6888 0.054 Uiso 1 1 calc R . .
C41 C 0.7275(6) 1.0744(4) 0.6285(4) 0.051(3) Uani 1 1 d . . .
H41 H 0.7223 1.1125 0.6360 0.061 Uiso 1 1 calc R . .
C42 C 0.7042(6) 1.0602(4) 0.5869(4) 0.052(3) Uani 1 1 d . . .
H42 H 0.6832 1.0880 0.5655 0.062 Uiso 1 1 calc R . .
C43 C 0.7115(6) 1.0041(3) 0.5759(3) 0.038(2) Uani 1 1 d . . .
C44 C 0.6653(8) 1.0230(5) 0.5018(4) 0.078(4) Uani 1 1 d . . .
H44A H 0.6133 1.0430 0.5042 0.117 Uiso 1 1 calc R . .
H44B H 0.6502 1.0030 0.4747 0.117 Uiso 1 1 calc R . .
H44C H 0.7125 1.0500 0.5034 0.117 Uiso 1 1 calc R . .
C45 C 0.4769(5) 0.7490(3) 0.7027(2) 0.0211(17) Uani 1 1 d . . .
C46 C 0.4835(5) 0.6872(3) 0.7153(3) 0.0254(19) Uani 1 1 d . . .
H46A H 0.5298 0.6692 0.7061 0.038 Uiso 1 1 calc R . .
H46B H 0.4271 0.6686 0.7018 0.038 Uiso 1 1 calc R . .
H46C H 0.4980 0.6842 0.7462 0.038 Uiso 1 1 calc R . .
C47 C 0.4596(5) 0.7548(3) 0.6553(2) 0.0230(18) Uani 1 1 d . . .
H47A H 0.4535 0.7947 0.6475 0.035 Uiso 1 1 calc R . .
H47B H 0.4053 0.7349 0.6403 0.035 Uiso 1 1 calc R . .
H47C H 0.5089 0.7387 0.6475 0.035 Uiso 1 1 calc R . .
C48 C 0.4043(5) 0.7783(3) 0.7162(3) 0.030(2) Uani 1 1 d . . .
H48A H 0.4147 0.7727 0.7466 0.044 Uiso 1 1 calc R . .
H48B H 0.3470 0.7624 0.7004 0.044 Uiso 1 1 calc R . .
H48C H 0.4047 0.8186 0.7102 0.044 Uiso 1 1 calc R . .
C49 C 0.7629(5) 0.8562(3) 0.7897(2) 0.0187(17) Uani 1 1 d . . .
C50 C 0.8368(5) 0.8133(3) 0.8047(3) 0.029(2) Uani 1 1 d . . .
H50A H 0.8187 0.7835 0.8207 0.043 Uiso 1 1 calc R . .
H50B H 0.8897 0.8319 0.8230 0.043 Uiso 1 1 calc R . .
H50C H 0.8496 0.7969 0.7801 0.043 Uiso 1 1 calc R . .
C51 C 0.7430(6) 0.8847(3) 0.8270(3) 0.031(2) Uani 1 1 d . . .
H51A H 0.6929 0.9103 0.8164 0.047 Uiso 1 1 calc R . .
H51B H 0.7947 0.9061 0.8435 0.047 Uiso 1 1 calc R . .
H51C H 0.7286 0.8561 0.8451 0.047 Uiso 1 1 calc R . .
C52 C 0.7852(5) 0.8991(3) 0.7609(3) 0.0264(19) Uani 1 1 d . . .
H52A H 0.7979 0.8798 0.7373 0.040 Uiso 1 1 calc R . .
H52B H 0.8370 0.9208 0.7769 0.040 Uiso 1 1 calc R . .
H52C H 0.7353 0.9247 0.7497 0.040 Uiso 1 1 calc R . .
C53 C 0.5360(5) 0.9327(3) 0.6907(3) 0.0228(19) Uani 1 1 d . . .
C54 C 0.4945(5) 0.9273(3) 0.6481(2) 0.0245(19) Uani 1 1 d . . .
H54 H 0.4660 0.8932 0.6365 0.029 Uiso 1 1 calc R . .
C55 C 0.4954(5) 0.9734(3) 0.6221(3) 0.029(2) Uani 1 1 d . . .
H55 H 0.4675 0.9713 0.5924 0.035 Uiso 1 1 calc R . .
C56 C 0.5374(5) 1.0223(3) 0.6402(3) 0.032(2) Uani 1 1 d . . .
H56 H 0.5413 1.0527 0.6223 0.039 Uiso 1 1 calc R . .
C57 C 0.5738(5) 1.0282(3) 0.6836(3) 0.0266(19) Uani 1 1 d . . .
H57 H 0.5986 1.0631 0.6955 0.032 Uiso 1 1 calc R . .
C58 C 0.5736(5) 0.9825(3) 0.7095(3) 0.0206(18) Uani 1 1 d . . .
C59 C 0.6483(6) 1.0327(3) 0.7730(3) 0.041(2) Uani 1 1 d . . .
H59A H 0.7007 1.0400 0.7644 0.062 Uiso 1 1 calc R . .
H59B H 0.6656 1.0282 0.8039 0.062 Uiso 1 1 calc R . .
H59C H 0.6073 1.0643 0.7645 0.062 Uiso 1 1 calc R . .
C60 C 0.5842(5) 0.7323(3) 0.8369(2) 0.0198(18) Uani 1 1 d . . .
C61 C 0.5061(6) 0.7067(3) 0.8326(3) 0.0269(19) Uani 1 1 d . . .
H61 H 0.4557 0.7164 0.8098 0.032 Uiso 1 1 calc R . .
C62 C 0.5002(6) 0.6661(3) 0.8619(3) 0.033(2) Uani 1 1 d . . .
H62 H 0.4459 0.6481 0.8599 0.040 Uiso 1 1 calc R . .
C63 C 0.5756(7) 0.6531(3) 0.8938(3) 0.042(3) Uani 1 1 d . . .
H63 H 0.5727 0.6246 0.9134 0.050 Uiso 1 1 calc R . .
C64 C 0.6548(7) 0.6789(3) 0.8989(3) 0.035(2) Uani 1 1 d . . .
H64 H 0.7053 0.6686 0.9215 0.042 Uiso 1 1 calc R . .
C65 C 0.6596(5) 0.7210(3) 0.8698(2) 0.0247(19) Uani 1 1 d . . .
C66 C 0.8132(6) 0.7370(4) 0.9055(3) 0.041(2) Uani 1 1 d . . .
H66A H 0.8048 0.7441 0.9331 0.061 Uiso 1 1 calc R . .
H66B H 0.8619 0.7602 0.9027 0.061 Uiso 1 1 calc R . .
H66C H 0.8269 0.6972 0.9033 0.061 Uiso 1 1 calc R . .
C67 C 0.9606(5) 0.6205(3) 0.7738(2) 0.0194(17) Uani 1 1 d . . .
C68 C 1.0443(5) 0.5921(4) 0.8021(3) 0.030(2) Uani 1 1 d . . .
H68A H 1.0463 0.5954 0.8318 0.045 Uiso 1 1 calc R . .
H68B H 1.0960 0.6104 0.7980 0.045 Uiso 1 1 calc R . .
H68C H 1.0439 0.5522 0.7945 0.045 Uiso 1 1 calc R . .
C69 C 0.9585(5) 0.6146(3) 0.7276(2) 0.0238(18) Uani 1 1 d . . .
H69A H 0.9598 0.5747 0.7205 0.036 Uiso 1 1 calc R . .
H69B H 1.0098 0.6336 0.7235 0.036 Uiso 1 1 calc R . .
H69C H 0.9045 0.6318 0.7091 0.036 Uiso 1 1 calc R . .
C70 C 0.9588(5) 0.6813(3) 0.7859(3) 0.029(2) Uani 1 1 d . . .
H70A H 0.9057 0.6992 0.7673 0.044 Uiso 1 1 calc R . .
H70B H 1.0110 0.7004 0.7829 0.044 Uiso 1 1 calc R . .
H70C H 0.9586 0.6839 0.8154 0.044 Uiso 1 1 calc R . .
C71 C 0.6830(5) 0.5224(3) 0.7934(2) 0.0213(17) Uani 1 1 d . . .
C72 C 0.6671(5) 0.5428(4) 0.8335(3) 0.031(2) Uani 1 1 d . . .
H72A H 0.7155 0.5304 0.8580 0.046 Uiso 1 1 calc R . .
H72B H 0.6115 0.5273 0.8353 0.046 Uiso 1 1 calc R . .
H72C H 0.6641 0.5839 0.8332 0.046 Uiso 1 1 calc R . .
C73 C 0.6117(5) 0.5440(3) 0.7546(3) 0.031(2) Uani 1 1 d . . .
H73A H 0.6117 0.5852 0.7548 0.047 Uiso 1 1 calc R . .
H73B H 0.5543 0.5301 0.7551 0.047 Uiso 1 1 calc R . .
H73C H 0.6234 0.5306 0.7289 0.047 Uiso 1 1 calc R . .
C74 C 0.6883(5) 0.4584(3) 0.7924(3) 0.030(2) Uani 1 1 d . . .
H74A H 0.7017 0.4465 0.7668 0.045 Uiso 1 1 calc R . .
H74B H 0.6317 0.4422 0.7924 0.045 Uiso 1 1 calc R . .
H74C H 0.7347 0.4452 0.8175 0.045 Uiso 1 1 calc R . .
C75 C 0.9298(5) 0.5789(3) 0.8816(2) 0.0250(19) Uani 1 1 d . . .
C76 C 0.9206(6) 0.5231(3) 0.8861(2) 0.031(2) Uani 1 1 d . . .
H76 H 0.8668 0.5049 0.8715 0.037 Uiso 1 1 calc R . .
C77 C 0.9897(7) 0.4924(4) 0.9122(3) 0.050(3) Uani 1 1 d . . .
H77 H 0.9835 0.4532 0.9160 0.060 Uiso 1 1 calc R . .
C78 C 1.0670(7) 0.5190(5) 0.9324(3) 0.051(3) Uani 1 1 d . . .
H78 H 1.1149 0.4976 0.9496 0.061 Uiso 1 1 calc R . .
C79 C 1.0775(6) 0.5763(5) 0.9284(3) 0.047(3) Uani 1 1 d . . .
H79 H 1.1317 0.5940 0.9429 0.056 Uiso 1 1 calc R . .
C80 C 1.0084(5) 0.6074(4) 0.9029(3) 0.033(2) Uani 1 1 d . . .
C81 C 1.0921(6) 0.6931(5) 0.9142(3) 0.062(3) Uani 1 1 d . . .
H81A H 1.1115 0.6889 0.9451 0.094 Uiso 1 1 calc R . .
H81B H 1.0844 0.7331 0.9068 0.094 Uiso 1 1 calc R . .
H81C H 1.1364 0.6769 0.9026 0.094 Uiso 1 1 calc R . .
C82 C 0.9142(5) 0.4354(3) 0.7570(2) 0.0237(18) Uani 1 1 d . . .
C84 C 0.9690(5) 0.3986(4) 0.7027(3) 0.034(2) Uani 1 1 d . . .
H84 H 0.9971 0.4039 0.6815 0.041 Uiso 1 1 calc R . .
C85 C 0.9407(5) 0.3467(4) 0.7096(3) 0.035(2) Uani 1 1 d . . .
H85 H 0.9499 0.3158 0.6933 0.042 Uiso 1 1 calc R . .
C88 C 0.8117(6) 0.3267(4) 0.8023(3) 0.052(3) Uani 1 1 d . . .
H88A H 0.7632 0.3173 0.7768 0.079 Uiso 1 1 calc R . .
H88B H 0.7895 0.3293 0.8267 0.079 Uiso 1 1 calc R . .
H88C H 0.8568 0.2972 0.8075 0.079 Uiso 1 1 calc R . .
Cl1 Cl 0.71635(12) 0.68433(8) 0.67608(6) 0.0214(4) Uani 1 1 d . . .
O17 O 0.7740(4) 0.6549(3) 0.65716(18) 0.0417(16) Uani 1 1 d . . .
O18 O 0.6729(4) 0.6439(2) 0.69461(18) 0.0367(15) Uani 1 1 d . . .
O19 O 0.7659(4) 0.7219(2) 0.70861(17) 0.0401(16) Uani 1 1 d . . .
O20 O 0.6534(4) 0.7159(2) 0.64368(17) 0.0338(14) Uani 1 1 d . . .
Cl2 Cl 0.2528(2) 0.88225(19) 0.57386(12) 0.0945(11) Uani 1 1 d . . .
O21 O 0.3382(6) 0.8765(5) 0.5667(3) 0.117(4) Uani 1 1 d . . .
O22 O 0.2632(14) 0.8461(9) 0.6080(6) 0.288(13) Uani 1 1 d . . .
O23 O 0.2386(13) 0.9364(7) 0.5829(5) 0.242(10) Uani 1 1 d . . .
O24 O 0.1932(6) 0.8669(5) 0.5346(3) 0.120(4) Uani 1 1 d . . .
Cl3 Cl 0.22595(14) 0.66592(9) 0.74944(8) 0.0395(6) Uani 1 1 d . . .
O25 O 0.2272(8) 0.6863(4) 0.7087(4) 0.133(4) Uani 1 1 d . . .
O26 O 0.3109(6) 0.6641(4) 0.7762(3) 0.113(4) Uani 1 1 d . . .
O27 O 0.1910(4) 0.6101(2) 0.7423(2) 0.0532(18) Uani 1 1 d . . .
O28 O 0.1680(5) 0.7003(3) 0.7625(3) 0.081(3) Uani 1 1 d . . .
Cl4 Cl 0.0061(6) 0.8704(4) 0.9279(3) 0.0890(19) Uani 0.498(7) 1 d PDU A 1
O30 O -0.0387(14) 0.9023(8) 0.8922(5) 0.141(6) Uani 0.498(7) 1 d PDU A 1
O31 O 0.0974(8) 0.8628(9) 0.9291(7) 0.114(5) Uani 0.498(7) 1 d PDU A 1
O32 O -0.0343(13) 0.8174(6) 0.9273(7) 0.131(6) Uani 0.498(7) 1 d PDU A 1
O33 O 0.0078(14) 0.9000(8) 0.9652(5) 0.149(6) Uani 0.498(7) 1 d PDU A 1
Cl4A Cl 0.0303(5) 0.8487(4) 0.9170(3) 0.0890(19) Uani 0.502(7) 1 d PDU A 2
O30A O -0.0003(14) 0.9010(6) 0.8984(6) 0.141(6) Uani 0.502(7) 1 d PDU A 2
O31A O 0.1259(8) 0.8483(9) 0.9390(6) 0.114(5) Uani 0.502(7) 1 d PDU A 2
O32A O -0.0140(13) 0.8313(9) 0.9466(6) 0.131(6) Uani 0.502(7) 1 d PDU A 2
O33A O 0.0176(13) 0.8067(7) 0.8844(5) 0.149(6) Uani 0.502(7) 1 d PDU A 2
O29 O 0.6876(5) 0.1732(4) 0.5194(3) 0.088(3) Uani 1 1 d . B 1
O34 O 0.2313(7) 0.8188(4) 0.9815(3) 0.024(2) Uani 0.50 1 d PU C 2
O35 O 0.0941(9) 0.5174(5) 0.6859(5) 0.057(4) Uani 0.50 1 d P . .
O36 O 0.2775(9) 0.6458(6) 0.6404(4) 0.059(4) Uani 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
P8 Au1 P1 177.33(7) . . ?
P3 Au2 P2 175.98(7) . . ?
P4 Au3 P5 175.69(7) . . ?
P7 Au4 P6 175.75(7) . . ?
O1 P1 N2 105.6(3) . . ?
O1 P1 N1 108.9(3) . . ?
N2 P1 N1 84.0(3) . . ?
O1 P1 Au1 114.6(2) . . ?
N2 P1 Au1 122.7(2) . . ?
N1 P1 Au1 116.8(2) . . ?
O1 P1 P2 115.2(2) . . ?
N2 P1 P2 42.2(2) . . ?
N1 P1 P2 41.9(2) . . ?
Au1 P1 P2 130.19(9) . . ?
O3 P2 N1 109.1(3) . . ?
O3 P2 N2 107.3(3) . . ?
N1 P2 N2 84.3(3) . . ?
O3 P2 Au2 110.78(19) . . ?
N1 P2 Au2 119.0(2) . . ?
N2 P2 Au2 123.3(2) . . ?
O3 P2 P1 116.6(2) . . ?
N1 P2 P1 42.2(2) . . ?
N2 P2 P1 42.2(2) . . ?
Au2 P2 P1 132.56(10) . . ?
O5 P3 N3 112.1(3) . . ?
O5 P3 N4 111.8(3) . . ?
N3 P3 N4 84.5(3) . . ?
O5 P3 Au2 107.0(2) . . ?
N3 P3 Au2 122.6(2) . . ?
N4 P3 Au2 117.4(2) . . ?
O5 P3 P4 124.0(2) . . ?
N3 P3 P4 42.2(2) . . ?
N4 P3 P4 42.6(2) . . ?
Au2 P3 P4 128.83(9) . . ?
O7 P4 N3 103.3(3) . . ?
O7 P4 N4 110.1(3) . . ?
N3 P4 N4 84.5(3) . . ?
O7 P4 Au3 118.2(2) . . ?
N3 P4 Au3 119.3(2) . . ?
N4 P4 Au3 116.2(2) . . ?
O7 P4 P3 116.4(2) . . ?
N3 P4 P3 42.3(2) . . ?
N4 P4 P3 42.5(2) . . ?
Au3 P4 P3 125.35(9) . . ?
O9 P5 N5 105.3(3) . . ?
O9 P5 N6 110.6(3) . . ?
N5 P5 N6 84.3(3) . . ?
O9 P5 Au3 111.77(19) . . ?
N5 P5 Au3 123.2(2) . . ?
N6 P5 Au3 118.5(2) . . ?
O9 P5 P6 116.0(2) . . ?
N5 P5 P6 42.2(2) . . ?
N6 P5 P6 42.1(2) . . ?
Au3 P5 P6 132.27(9) . . ?
O11 P6 N6 107.0(3) . . ?
O11 P6 N5 107.3(3) . . ?
N6 P6 N5 83.8(3) . . ?
O11 P6 Au4 112.32(19) . . ?
N6 P6 Au4 119.4(2) . . ?
N5 P6 Au4 123.2(2) . . ?
O11 P6 P5 114.76(19) . . ?
N6 P6 P5 42.3(2) . . ?
N5 P6 P5 41.58(19) . . ?
Au4 P6 P5 132.86(9) . . ?
O13 P7 N7 113.2(3) . . ?
O13 P7 N8 111.7(3) . . ?
N7 P7 N8 84.1(3) . . ?
O13 P7 Au4 107.40(19) . . ?
N7 P7 Au4 120.8(2) . . ?
N8 P7 Au4 118.3(2) . . ?
O13 P7 P8 125.2(2) . . ?
N7 P7 P8 41.8(2) . . ?
N8 P7 P8 42.6(2) . . ?
Au4 P7 P8 127.36(10) . . ?
O15 P8 N7 107.1(3) . . ?
O15 P8 N8 109.8(3) . . ?
N7 P8 N8 84.2(3) . . ?
O15 P8 Au1 114.6(2) . . ?
N7 P8 Au1 120.3(2) . . ?
N8 P8 Au1 116.8(2) . . ?
O15 P8 P7 119.6(2) . . ?
N7 P8 P7 42.2(2) . . ?
N8 P8 P7 42.3(2) . . ?
Au1 P8 P7 125.81(9) . . ?
C9 O1 P1 124.7(5) . . ?
C14 O2 C15 118.1(8) . . ?
C16 O3 P2 118.5(4) . . ?
C21 O4 C22 118.1(7) . . ?
C31 O5 P3 128.0(5) . . ?
C36 O6 C37 117.4(8) . . ?
C38 O7 P4 129.1(5) . . ?
C43 O8 C44 116.3(8) . . ?
C53 O9 P5 117.6(4) . . ?
C58 O10 C59 116.7(6) . . ?
C60 O11 P6 119.6(4) . . ?
C65 O12 C66 117.0(6) . . ?
C75 O13 P7 127.0(4) . . ?
C80 O14 C81 117.3(7) . . ?
C82 O15 P8 122.4(5) . . ?
C87 O16 C88 117.3(7) . . ?
C1 N1 P2 131.5(5) . . ?
C1 N1 P1 131.9(5) . . ?
P2 N1 P1 95.9(3) . . ?
C5 N2 P2 131.0(5) . . ?
C5 N2 P1 132.6(5) . . ?
P2 N2 P1 95.7(3) . . ?
C23 N3 P4 130.5(5) . . ?
C23 N3 P3 134.0(5) . . ?
P4 N3 P3 95.5(3) . . ?
C27 N4 P3 130.4(5) . . ?
C27 N4 P4 129.6(5) . . ?
P3 N4 P4 95.0(3) . . ?
C45 N5 P5 132.3(5) . . ?
C45 N5 P6 130.6(5) . . ?
P5 N5 P6 96.3(3) . . ?
C49 N6 P6 132.0(5) . . ?
C49 N6 P5 132.0(5) . . ?
P6 N6 P5 95.6(3) . . ?
C67 N7 P8 132.5(5) . . ?
C67 N7 P7 131.5(5) . . ?
P8 N7 P7 95.9(3) . . ?
C71 N8 P7 128.6(5) . . ?
C71 N8 P8 130.8(5) . . ?
P7 N8 P8 95.1(3) . . ?
C2 C1 C4 110.6(7) . . ?
C2 C1 C3 109.9(7) . . ?
C4 C1 C3 111.9(7) . . ?
C2 C1 N1 108.3(6) . . ?
C4 C1 N1 108.8(6) . . ?
C3 C1 N1 107.2(7) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 C8 108.8(6) . . ?
N2 C5 C7 107.6(6) . . ?
C8 C5 C7 111.8(7) . . ?
N2 C5 C6 108.4(6) . . ?
C8 C5 C6 110.9(6) . . ?
C7 C5 C6 109.2(6) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C14 122.1(8) . . ?
C10 C9 O1 117.8(7) . . ?
C14 C9 O1 119.8(7) . . ?
C9 C10 C11 117.7(10) . . ?
C9 C10 H10 121.2 . . ?
C11 C10 H10 121.2 . . ?
C12 C11 C10 120.6(11) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 121.6(10) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C14 119.5(10) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
O2 C14 C9 116.4(7) . . ?
O2 C14 C13 125.1(9) . . ?
C9 C14 C13 118.5(10) . . ?
O2 C15 H15A 109.5 . . ?
O2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C21 122.0(7) . . ?
C17 C16 O3 119.9(7) . . ?
C21 C16 O3 118.1(7) . . ?
C16 C17 C18 118.8(7) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C19 C18 C17 119.7(8) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C20 122.1(8) . . ?
C18 C19 H19 118.9 . . ?
C20 C19 H19 118.9 . . ?
C19 C20 C21 119.1(8) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
O4 C21 C20 124.8(8) . . ?
O4 C21 C16 116.9(7) . . ?
C20 C21 C16 118.3(8) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C23 C26 107.7(6) . . ?
N3 C23 C25 107.8(6) . . ?
C26 C23 C25 111.0(7) . . ?
N3 C23 C24 108.9(6) . . ?
C26 C23 C24 112.5(7) . . ?
C25 C23 C24 108.8(6) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N4 C27 C30 106.9(6) . . ?
N4 C27 C29 107.3(6) . . ?
C30 C27 C29 110.8(7) . . ?
N4 C27 C28 111.3(6) . . ?
C30 C27 C28 109.1(7) . . ?
C29 C27 C28 111.3(7) . . ?
O16 C87 C82 116.1(7) . . ?
O16 C87 C86 125.9(8) . . ?
C82 C87 C86 118.0(8) . . ?
C85 C86 C87 120.0(8) . . ?
C85 C86 H86 120.0 . . ?
C87 C86 H86 120.0 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C82 C83 C84 119.0(8) . . ?
C82 C83 H83 120.5 . . ?
C84 C83 H83 120.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 123.0(8) . . ?
C32 C31 O5 121.4(8) . . ?
C36 C31 O5 115.5(7) . . ?
C31 C32 C33 117.6(9) . . ?
C31 C32 H32 121.2 . . ?
C33 C32 H32 121.2 . . ?
C34 C33 C32 119.9(9) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C33 C34 C35 122.2(9) . . ?
C33 C34 H34 118.9 . . ?
C35 C34 H34 118.9 . . ?
C34 C35 C36 119.1(9) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
O6 C36 C35 125.7(8) . . ?
O6 C36 C31 116.1(7) . . ?
C35 C36 C31 118.2(9) . . ?
O6 C37 H37A 109.5 . . ?
O6 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O6 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 C43 123.7(8) . . ?
C39 C38 O7 120.1(8) . . ?
C43 C38 O7 115.9(8) . . ?
C38 C39 C40 116.2(9) . . ?
C38 C39 H39 121.9 . . ?
C40 C39 H39 121.9 . . ?
C41 C40 C39 120.6(9) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C42 C41 C40 122.1(9) . . ?
C42 C41 H41 118.9 . . ?
C40 C41 H41 118.9 . . ?
C41 C42 C43 118.8(10) . . ?
C41 C42 H42 120.6 . . ?
C43 C42 H42 120.6 . . ?
O8 C43 C38 114.9(7) . . ?
O8 C43 C42 126.5(9) . . ?
C38 C43 C42 118.5(9) . . ?
O8 C44 H44A 109.5 . . ?
O8 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
O8 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N5 C45 C47 108.6(6) . . ?
N5 C45 C46 108.2(6) . . ?
C47 C45 C46 110.4(6) . . ?
N5 C45 C48 108.4(6) . . ?
C47 C45 C48 110.3(6) . . ?
C46 C45 C48 110.8(6) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N6 C49 C52 108.2(6) . . ?
N6 C49 C50 107.9(6) . . ?
C52 C49 C50 110.4(6) . . ?
N6 C49 C51 107.5(6) . . ?
C52 C49 C51 111.1(6) . . ?
C50 C49 C51 111.5(6) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 C58 123.4(7) . . ?
C54 C53 O9 118.9(7) . . ?
C58 C53 O9 117.8(7) . . ?
C53 C54 C55 117.9(8) . . ?
C53 C54 H54 121.1 . . ?
C55 C54 H54 121.1 . . ?
C56 C55 C54 119.3(8) . . ?
C56 C55 H55 120.4 . . ?
C54 C55 H55 120.4 . . ?
C55 C56 C57 121.9(8) . . ?
C55 C56 H56 119.0 . . ?
C57 C56 H56 119.0 . . ?
C56 C57 C58 119.0(7) . . ?
C56 C57 H57 120.5 . . ?
C58 C57 H57 120.5 . . ?
O10 C58 C53 115.9(7) . . ?
O10 C58 C57 125.8(7) . . ?
C53 C58 C57 118.3(7) . . ?
O10 C59 H59A 109.5 . . ?
O10 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O10 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C61 C60 C65 123.2(7) . . ?
C61 C60 O11 118.6(7) . . ?
C65 C60 O11 118.1(7) . . ?
C60 C61 C62 119.7(8) . . ?
C60 C61 H61 120.2 . . ?
C62 C61 H61 120.2 . . ?
C63 C62 C61 117.4(8) . . ?
C63 C62 H62 121.3 . . ?
C61 C62 H62 121.3 . . ?
C64 C63 C62 123.7(8) . . ?
C64 C63 H63 118.1 . . ?
C62 C63 H63 118.1 . . ?
C63 C64 C65 118.5(9) . . ?
C63 C64 H64 120.8 . . ?
C65 C64 H64 120.8 . . ?
O12 C65 C60 117.6(7) . . ?
O12 C65 C64 124.9(8) . . ?
C60 C65 C64 117.4(8) . . ?
O12 C66 H66A 109.5 . . ?
O12 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
O12 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
N7 C67 C70 109.2(6) . . ?
N7 C67 C69 109.3(6) . . ?
C70 C67 C69 111.0(6) . . ?
N7 C67 C68 108.5(6) . . ?
C70 C67 C68 110.2(7) . . ?
C69 C67 C68 108.7(6) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N8 C71 C72 107.1(6) . . ?
N8 C71 C73 109.8(6) . . ?
C72 C71 C73 110.7(6) . . ?
N8 C71 C74 107.2(6) . . ?
C72 C71 C74 111.4(7) . . ?
C73 C71 C74 110.6(7) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C76 C75 C80 121.9(8) . . ?
C76 C75 O13 123.0(7) . . ?
C80 C75 O13 115.0(7) . . ?
C75 C76 C77 119.6(9) . . ?
C75 C76 H76 120.2 . . ?
C77 C76 H76 120.2 . . ?
C78 C77 C76 119.3(10) . . ?
C78 C77 H77 120.3 . . ?
C76 C77 H77 120.3 . . ?
C77 C78 C79 121.8(9) . . ?
C77 C78 H78 119.1 . . ?
C79 C78 H78 119.1 . . ?
C80 C79 C78 119.3(10) . . ?
C80 C79 H79 120.4 . . ?
C78 C79 H79 120.4 . . ?
O14 C80 C79 125.6(9) . . ?
O14 C80 C75 116.4(7) . . ?
C79 C80 C75 118.0(9) . . ?
O14 C81 H81A 109.5 . . ?
O14 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
O14 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C87 C82 C83 122.0(7) . . ?
C87 C82 O15 118.5(7) . . ?
C83 C82 O15 119.4(7) . . ?
C85 C84 C83 119.7(8) . . ?
C85 C84 H84 120.1 . . ?
C83 C84 H84 120.1 . . ?
C84 C85 C86 121.3(8) . . ?
C84 C85 H85 119.3 . . ?
C86 C85 H85 119.3 . . ?
O16 C88 H88A 109.5 . . ?
O16 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
O16 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O18 Cl1 O19 108.9(3) . . ?
O18 Cl1 O20 110.6(4) . . ?
O19 Cl1 O20 109.5(4) . . ?
O18 Cl1 O17 108.6(4) . . ?
O19 Cl1 O17 110.5(4) . . ?
O20 Cl1 O17 108.8(3) . . ?
O23 Cl2 O22 113.3(13) . . ?
O23 Cl2 O24 109.8(9) . . ?
O22 Cl2 O24 118.1(13) . . ?
O23 Cl2 O21 110.7(11) . . ?
O22 Cl2 O21 100.9(9) . . ?
O24 Cl2 O21 103.1(6) . . ?
O26 Cl3 O28 115.7(6) . . ?
O26 Cl3 O27 109.5(5) . . ?
O28 Cl3 O27 109.4(4) . . ?
O26 Cl3 O25 108.8(7) . . ?
O28 Cl3 O25 107.1(7) . . ?
O27 Cl3 O25 105.8(5) . . ?
O30 Cl4 O33 109.6(10) . . ?
O30 Cl4 O32 111.0(10) . . ?
O33 Cl4 O32 109.9(9) . . ?
O30 Cl4 O31 109.7(9) . . ?
O33 Cl4 O31 106.7(9) . . ?
O32 Cl4 O31 109.7(9) . . ?
O30A Cl4A O32A 112.1(10) . . ?
O30A Cl4A O33A 109.5(9) . . ?
O32A Cl4A O33A 109.1(9) . . ?
O30A Cl4A O31A 112.9(9) . . ?
O32A Cl4A O31A 108.2(9) . . ?
O33A Cl4A O31A 104.6(9) . . ?
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
Au1 P8 2.293(2) . ?
Au1 P1 2.297(2) . ?
Au2 P3 2.2734(19) . ?
Au2 P2 2.2879(19) . ?
Au3 P4 2.295(2) . ?
Au3 P5 2.3044(19) . ?
Au4 P7 2.2797(19) . ?
Au4 P6 2.2940(19) . ?
P1 O1 1.589(5) . ?
P1 N2 1.680(6) . ?
P1 N1 1.682(6) . ?
P1 P2 2.490(3) . ?
P2 O3 1.597(5) . ?
P2 N1 1.673(6) . ?
P2 N2 1.680(6) . ?
P3 O5 1.583(5) . ?
P3 N3 1.678(6) . ?
P3 N4 1.683(6) . ?
P3 P4 2.483(3) . ?
P4 O7 1.580(5) . ?
P4 N3 1.676(6) . ?
P4 N4 1.686(6) . ?
P5 O9 1.606(5) . ?
P5 N5 1.658(6) . ?
P5 N6 1.679(6) . ?
P5 P6 2.484(3) . ?
P6 O11 1.603(5) . ?
P6 N6 1.674(6) . ?
P6 N5 1.677(6) . ?
P7 O13 1.575(5) . ?
P7 N7 1.681(6) . ?
P7 N8 1.682(6) . ?
P7 P8 2.488(3) . ?
P8 O15 1.595(5) . ?
P8 N7 1.668(6) . ?
P8 N8 1.690(6) . ?
O1 C9 1.422(9) . ?
O2 C14 1.348(11) . ?
O2 C15 1.437(11) . ?
O3 C16 1.426(9) . ?
O4 C21 1.370(10) . ?
O4 C22 1.452(11) . ?
O5 C31 1.418(9) . ?
O6 C36 1.345(10) . ?
O6 C37 1.432(12) . ?
O7 C38 1.419(9) . ?
O8 C43 1.360(11) . ?
O8 C44 1.440(11) . ?
O9 C53 1.427(8) . ?
O10 C58 1.373(9) . ?
O10 C59 1.440(9) . ?
O11 C60 1.425(8) . ?
O12 C65 1.356(9) . ?
O12 C66 1.462(10) . ?
O13 C75 1.427(8) . ?
O14 C80 1.363(10) . ?
O14 C81 1.449(10) . ?
O15 C82 1.411(9) . ?
O16 C87 1.342(9) . ?
O16 C88 1.435(10) . ?
N1 C1 1.517(9) . ?
N2 C5 1.511(9) . ?
N3 C23 1.505(10) . ?
N4 C27 1.493(10) . ?
N5 C45 1.514(9) . ?
N6 C49 1.512(9) . ?
N7 C67 1.494(9) . ?
N8 C71 1.504(9) . ?
C1 C2 1.508(11) . ?
C1 C4 1.509(11) . ?
C1 C3 1.513(11) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C8 1.514(10) . ?
C5 C7 1.517(10) . ?
C5 C6 1.527(10) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.375(11) . ?
C9 C14 1.375(12) . ?
C10 C11 1.397(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.343(16) . ?
C11 H11 0.9500 . ?
C12 C13 1.366(16) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(13) . ?
C13 H13 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.353(11) . ?
C16 C21 1.384(11) . ?
C17 C18 1.386(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.342(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.369(12) . ?
C19 H19 0.9500 . ?
C20 C21 1.380(11) . ?
C20 H20 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C26 1.515(11) . ?
C23 C25 1.531(11) . ?
C23 C24 1.543(10) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C30 1.501(11) . ?
C27 C29 1.505(11) . ?
C27 C28 1.516(11) . ?
C87 C82 1.381(11) . ?
C87 C86 1.396(11) . ?
C86 C85 1.391(12) . ?
C86 H86 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C83 C82 1.386(11) . ?
C83 C84 1.395(11) . ?
C83 H83 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.356(12) . ?
C31 C36 1.403(12) . ?
C32 C33 1.424(12) . ?
C32 H32 0.9500 . ?
C33 C34 1.355(13) . ?
C33 H33 0.9500 . ?
C34 C35 1.379(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.392(12) . ?
C35 H35 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.362(12) . ?
C38 C43 1.386(12) . ?
C39 C40 1.414(12) . ?
C39 H39 0.9500 . ?
C40 C41 1.368(14) . ?
C40 H40 0.9500 . ?
C41 C42 1.355(14) . ?
C41 H41 0.9500 . ?
C42 C43 1.397(12) . ?
C42 H42 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C47 1.516(10) . ?
C45 C46 1.520(10) . ?
C45 C48 1.532(10) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C52 1.514(10) . ?
C49 C50 1.524(10) . ?
C49 C51 1.525(10) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.372(11) . ?
C53 C58 1.385(10) . ?
C54 C55 1.396(11) . ?
C54 H54 0.9500 . ?
C55 C56 1.383(11) . ?
C55 H55 0.9500 . ?
C56 C57 1.384(12) . ?
C56 H56 0.9500 . ?
C57 C58 1.386(10) . ?
C57 H57 0.9500 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 C61 1.354(11) . ?
C60 C65 1.381(11) . ?
C61 C62 1.393(11) . ?
C61 H61 0.9500 . ?
C62 C63 1.370(13) . ?
C62 H62 0.9500 . ?
C63 C64 1.368(13) . ?
C63 H63 0.9500 . ?
C64 C65 1.406(11) . ?
C64 H64 0.9500 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C70 1.504(10) . ?
C67 C69 1.529(10) . ?
C67 C68 1.533(10) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.507(10) . ?
C71 C73 1.520(11) . ?
C71 C74 1.525(10) . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C76 1.349(11) . ?
C75 C80 1.410(12) . ?
C76 C77 1.382(12) . ?
C76 H76 0.9500 . ?
C77 C78 1.366(15) . ?
C77 H77 0.9500 . ?
C78 C79 1.383(14) . ?
C78 H78 0.9500 . ?
C79 C80 1.380(12) . ?
C79 H79 0.9500 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C84 C85 1.357(12) . ?
C84 H84 0.9500 . ?
C85 H85 0.9500 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
Cl1 O18 1.430(5) . ?
Cl1 O19 1.436(6) . ?
Cl1 O20 1.437(6) . ?
Cl1 O17 1.444(6) . ?
Cl2 O23 1.355(14) . ?
Cl2 O22 1.389(13) . ?
Cl2 O24 1.405(9) . ?
Cl2 O21 1.460(9) . ?
Cl3 O26 1.374(8) . ?
Cl3 O28 1.400(7) . ?
Cl3 O27 1.432(6) . ?
Cl3 O25 1.441(10) . ?
Cl4 O30 1.402(9) . ?
Cl4 O33 1.414(9) . ?
Cl4 O32 1.414(9) . ?
Cl4 O31 1.457(9) . ?
Cl4A O30A 1.408(9) . ?
Cl4A O32A 1.433(9) . ?
Cl4A O33A 1.440(9) . ?
Cl4A O31A 1.476(9) . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 1.000 0.000 412 50 ' '
2 0.000 0.500 0.500 412 49 ' '
