#------------------------------------------------------------------------------
#$Date: 2019-11-11 03:08:23 +0200 (Mon, 11 Nov 2019) $
#$Revision: 226221 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/31/4003116.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_4003116
loop_
_publ_author_name
'Bootharaju, Megalamane S.'
'Kozlov, Sergey M.'
'Cao, Zhen'
'Shkurenko, Aleksander'
'El-Zohry, Ahmed M.'
'Mohammed, Omar F.'
'Eddaoudi, Mohamed'
'Bakr, Osman M.'
'Cavallo, Luigi'
'Basset, Jean-Marie'
_publ_section_title
;
 Tailoring the Crystal Structure of Nanoclusters Unveiled High
 Photoluminescence via Ion Pairing
;
_journal_issue                   8
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2719
_journal_paper_doi               10.1021/acs.chemmater.8b00328
_journal_volume                  30
_journal_year                    2018
_chemical_formula_moiety
'Ag28 (C6 H4 S2)12 (C18 H15 P)4 Pt, 3(C18 H15 O1 P1)'
_chemical_formula_sum            'C198 H153 Ag28 O3 P7 Pt S24'
_chemical_formula_weight         6781.87
_space_group_crystal_system      trigonal
_space_group_IT_number           165
_space_group_name_Hall           '-P 3 2"c'
_space_group_name_H-M_alt        'P -3 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   28.360(1)
_cell_length_b                   28.360(1)
_cell_length_c                   40.788(2)
_cell_measurement_reflns_used    9958
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      49.80
_cell_measurement_theta_min      2.82
_cell_volume                     28410(2)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection
'Bruker APEX2 v2009.3-0 (Bruker AXS Inc., 2009)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'DIAMOND (Crystal Impact GbR, 2009'
_computing_publication_material
'PublCIF. Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker X8 PROSPECTOR APEX2 CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1253
_diffrn_reflns_av_unetI/netI     0.0760
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            56046
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        44.490
_diffrn_reflns_theta_max         44.490
_diffrn_reflns_theta_min         2.816
_diffrn_source                   'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    18.279
_exptl_absorpt_correction_T_max  0.1220
_exptl_absorpt_correction_T_min  0.0330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1340 before and 0.0873 after correction.
The Ratio of minimum to maximum transmission is 0.2705.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_F_000             12992
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.589
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         7473
_refine_ls_number_restraints     717
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.1227
_refine_ls_R_factor_gt           0.0687
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1321P)²+1.5351P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1834
_refine_ls_wR_factor_ref         0.2124
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4528
_reflns_number_total             7473
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cm8b00328_si_002.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        28410(3)
_cod_database_code               4003116
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.158
_shelx_estimated_absorpt_t_max   0.711
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, 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_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
Pt1 Pt 0.6667 0.3333 0.37685(4) 0.0823(6) Uani 1 3 d S T P . .
Ag1 Ag 0.72328(7) 0.39454(7) 0.43001(4) 0.0773(6) Uani 1 1 d . . . . .
Ag2 Ag 0.65799(7) 0.42452(7) 0.39025(4) 0.0814(6) Uani 1 1 d . . . . .
Ag3 Ag 0.75808(7) 0.43249(7) 0.36478(4) 0.0840(6) Uani 1 1 d . . . . .
Ag4 Ag 0.72852(8) 0.33964(8) 0.32343(4) 0.0878(6) Uani 1 1 d . . . . .
Ag5 Ag 0.83646(7) 0.47349(7) 0.45690(4) 0.0817(6) Uani 1 1 d . . . . .
Ag6 Ag 0.87813(8) 0.52172(8) 0.38881(4) 0.0973(7) Uani 1 1 d . . . . .
Ag7 Ag 0.73135(9) 0.33751(9) 0.24511(4) 0.1086(8) Uani 1 1 d . . . . .
Ag8 Ag 0.57473(8) 0.46373(8) 0.41130(4) 0.0872(6) Uani 1 1 d . . . . .
Ag9 Ag 0.72444(9) 0.52042(10) 0.33521(4) 0.1090(8) Uani 1 1 d . . . . .
Ag10 Ag 0.6667 0.3333 0.51049(7) 0.0748(9) Uani 1 3 d S T P . .
S1A S 0.7444(2) 0.4292(2) 0.48682(12) 0.0720(16) Uani 1 1 d . . . . .
S2A S 0.5696(2) 0.4613(2) 0.47134(13) 0.0780(17) Uani 1 1 d . . . . .
C1A C 0.7160(5) 0.4738(5) 0.4883(3) 0.065(5) Uani 1 1 d G U . . .
C2A C 0.6618(5) 0.4539(4) 0.4799(3) 0.061(4) Uani 1 1 d G U . . .
H2A H 0.6408 0.4180 0.4715 0.073 Uiso 1 1 calc R U . . .
C3A C 0.6384(4) 0.4864(6) 0.4838(3) 0.076(6) Uani 1 1 d G U . . .
C4A C 0.6692(6) 0.5389(5) 0.4962(3) 0.073(5) Uani 1 1 d G U . . .
H4A H 0.6532 0.5612 0.4989 0.088 Uiso 1 1 calc R U . . .
C5A C 0.7234(5) 0.5589(4) 0.5046(3) 0.078(5) Uani 1 1 d G U . . .
H5A H 0.7445 0.5948 0.5130 0.094 Uiso 1 1 calc R U . . .
C6A C 0.7468(4) 0.5263(6) 0.5006(3) 0.070(5) Uani 1 1 d G U . . .
H6A H 0.7839 0.5400 0.5063 0.085 Uiso 1 1 calc R U . . .
S1B S 0.8736(3) 0.5691(3) 0.43915(15) 0.092(2) Uani 1 1 d . . . . .
S2B S 0.6732(3) 0.5191(3) 0.38806(14) 0.0893(19) Uani 1 1 d . . . . .
C1B C 0.8208(5) 0.5846(6) 0.4339(3) 0.077(5) Uani 1 1 d G U . . .
C2B C 0.7724(6) 0.5470(4) 0.4188(3) 0.070(5) Uani 1 1 d G U . . .
H2B H 0.7657 0.5114 0.4142 0.085 Uiso 1 1 calc R U . . .
C3B C 0.7339(5) 0.5617(6) 0.4106(3) 0.075(5) Uani 1 1 d G U . . .
C4B C 0.7438(6) 0.6139(6) 0.4173(4) 0.095(7) Uani 1 1 d G U . . .
H4B H 0.7175 0.6239 0.4116 0.113 Uiso 1 1 calc R U . . .
C5B C 0.7922(6) 0.6515(5) 0.4323(4) 0.088(6) Uani 1 1 d G U . . .
H5B H 0.7990 0.6872 0.4370 0.106 Uiso 1 1 calc R U . . .
C6B C 0.8307(5) 0.6368(5) 0.4406(3) 0.093(7) Uani 1 1 d G U . . .
H6B H 0.8638 0.6625 0.4509 0.112 Uiso 1 1 calc R U . . .
S1C S 0.8178(3) 0.5264(3) 0.34410(14) 0.095(2) Uani 1 1 d D U . . .
S2C S 0.7550(3) 0.4266(3) 0.22232(16) 0.114(2) Uani 1 1 d D U . . .
C1CA C 0.8278(10) 0.5256(11) 0.3012(3) 0.089(5) Uani 0.5 1 d DG U P A 1
C2CA C 0.7920(7) 0.4820(8) 0.2818(7) 0.094(5) Uani 0.5 1 d G U P A 1
H2CA H 0.7614 0.4516 0.2915 0.112 Uiso 0.5 1 calc R U P A 1
C3CA C 0.8011(9) 0.4827(9) 0.2483(6) 0.095(5) Uani 0.5 1 d DG U P A 1
C4CA C 0.8458(12) 0.5271(13) 0.2342(3) 0.089(12) Uani 0.5 1 d G U P A 1
H4CA H 0.8520 0.5276 0.2112 0.107 Uiso 0.5 1 calc R U P A 1
C5CA C 0.8816(9) 0.5708(10) 0.2536(6) 0.108(14) Uani 0.5 1 d G U P A 1
H5CA H 0.9122 0.6012 0.2439 0.129 Uiso 0.5 1 calc R U P A 1
C6CA C 0.8725(10) 0.5701(8) 0.2871(6) 0.079(8) Uani 0.5 1 d G U P A 1
H6CA H 0.8969 0.5999 0.3004 0.095 Uiso 0.5 1 calc R U P A 1
C1CB C 0.8347(12) 0.5182(9) 0.3029(3) 0.089(5) Uani 0.5 1 d DG U P A 2
C2CB C 0.7935(8) 0.4809(7) 0.2827(7) 0.094(5) Uani 0.5 1 d G U P A 2
H2CB H 0.7573 0.4604 0.2907 0.112 Uiso 0.5 1 calc R U P A 2
C3CB C 0.8052(11) 0.4735(6) 0.2506(6) 0.095(5) Uani 0.5 1 d DG U P A 2
C4CB C 0.8581(14) 0.5034(12) 0.2388(3) 0.100(15) Uani 0.5 1 d G U P A 2
H4CB H 0.8661 0.4983 0.2169 0.120 Uiso 0.5 1 calc R U P A 2
C5CB C 0.8994(9) 0.5407(12) 0.2591(7) 0.103(13) Uani 0.5 1 d G U P A 2
H5CB H 0.9356 0.5611 0.2510 0.123 Uiso 0.5 1 calc R U P A 2
C6CB C 0.8877(10) 0.5481(9) 0.2911(6) 0.094(10) Uani 0.5 1 d G U P A 2
H6CB H 0.9159 0.5736 0.3050 0.113 Uiso 0.5 1 calc R U P A 2
S1D S 0.9450(3) 0.4968(3) 0.37101(14) 0.094(2) Uani 1 1 d D U . . .
S2D S 0.7960(3) 0.3363(3) 0.28751(14) 0.096(2) Uani 1 1 d D U . . .
C1DA C 0.9195(8) 0.4696(8) 0.3304(4) 0.100(5) Uani 0.5 1 d DG U P B 1
C2DA C 0.8734(7) 0.4197(7) 0.3238(5) 0.089(5) Uani 0.5 1 d G U P B 1
H2DA H 0.8523 0.3968 0.3414 0.106 Uiso 0.5 1 calc R U P B 1
C3DA C 0.8580(6) 0.4034(6) 0.2916(6) 0.094(5) Uani 0.5 1 d DG U P B 1
C4DA C 0.8888(10) 0.4369(10) 0.2659(4) 0.111(18) Uani 0.5 1 d G U P B 1
H4DA H 0.8784 0.4258 0.2439 0.133 Uiso 0.5 1 calc R U P B 1
C5DA C 0.9350(10) 0.4867(10) 0.2725(5) 0.14(2) Uani 0.5 1 d G U P B 1
H5DA H 0.9560 0.5096 0.2550 0.166 Uiso 0.5 1 calc R U P B 1
C6DA C 0.9503(7) 0.5031(6) 0.3048(6) 0.081(10) Uani 0.5 1 d G U P B 1
H6DA H 0.9819 0.5371 0.3093 0.097 Uiso 0.5 1 calc R U P B 1
C1DB C 0.9309(10) 0.4632(7) 0.3310(4) 0.100(5) Uani 0.5 1 d DG U P B 2
C2DB C 0.8779(8) 0.4207(8) 0.3267(5) 0.089(5) Uani 0.5 1 d G U P B 2
H2DB H 0.8520 0.4110 0.3439 0.106 Uiso 0.5 1 calc R U P B 2
C3DB C 0.8627(7) 0.3923(5) 0.2972(7) 0.094(5) Uani 0.5 1 d DG U P B 2
C4DB C 0.9005(12) 0.4065(10) 0.2721(5) 0.12(2) Uani 0.5 1 d G U P B 2
H4DB H 0.8902 0.3872 0.2519 0.146 Uiso 0.5 1 calc R U P B 2
C5DB C 0.9535(10) 0.4491(12) 0.2764(5) 0.117(16) Uani 0.5 1 d G U P B 2
H5DB H 0.9794 0.4588 0.2592 0.140 Uiso 0.5 1 calc R U P B 2
C6DB C 0.9687(7) 0.4774(8) 0.3059(6) 0.120(12) Uani 0.5 1 d G U P B 2
H6DB H 1.0049 0.5065 0.3089 0.144 Uiso 0.5 1 calc R U P B 2
P1 P 0.7521(4) 0.6171(4) 0.3134(2) 0.155(3) Uani 1 1 d D U . . .
C11A C 0.8163(6) 0.6763(8) 0.3263(6) 0.175(12) Uani 0.5 1 d DG U P C 1
C12A C 0.8439(12) 0.6730(15) 0.3535(9) 0.162(15) Uani 0.5 1 d DG U P C 1
H12A H 0.8295 0.6400 0.3656 0.194 Uiso 0.5 1 calc R U P C 1
C13A C 0.8927(14) 0.7181(19) 0.3632(13) 0.163(16) Uani 0.5 1 d G U P C 1
H13A H 0.9115 0.7159 0.3818 0.196 Uiso 0.5 1 calc R U P C 1
C14A C 0.9138(10) 0.7664(15) 0.3456(14) 0.178(17) Uani 0.5 1 d G U P C 1
H14A H 0.9471 0.7972 0.3522 0.213 Uiso 0.5 1 calc R U P C 1
C15A C 0.8861(13) 0.7697(10) 0.3183(14) 0.175(16) Uani 0.5 1 d G U P C 1
H15A H 0.9006 0.8027 0.3063 0.210 Uiso 0.5 1 calc R U P C 1
C16A C 0.8374(12) 0.7246(9) 0.3086(10) 0.176(16) Uani 0.5 1 d DG U P C 1
H16A H 0.8185 0.7269 0.2900 0.211 Uiso 0.5 1 calc R U P C 1
C11B C 0.8238(6) 0.6666(8) 0.3212(7) 0.175(12) Uani 0.5 1 d DG U P C 2
C12B C 0.8469(12) 0.667(2) 0.3514(9) 0.192(17) Uani 0.5 1 d DG U P C 2
H12B H 0.8255 0.6417 0.3679 0.230 Uiso 0.5 1 calc R U P C 2
C13B C 0.9014(14) 0.704(2) 0.3573(14) 0.22(2) Uani 0.5 1 d G U P C 2
H13B H 0.9171 0.7048 0.3779 0.261 Uiso 0.5 1 calc R U P C 2
C14B C 0.9327(9) 0.7416(18) 0.3332(16) 0.22(2) Uani 0.5 1 d G U P C 2
H14B H 0.9699 0.7672 0.3373 0.269 Uiso 0.5 1 calc R U P C 2
C15B C 0.9096(10) 0.7411(16) 0.3030(15) 0.22(2) Uani 0.5 1 d G U P C 2
H15B H 0.9310 0.7664 0.2865 0.258 Uiso 0.5 1 calc R U P C 2
C16B C 0.8552(10) 0.7036(14) 0.2971(10) 0.190(17) Uani 0.5 1 d DG U P C 2
H16B H 0.8394 0.7033 0.2765 0.228 Uiso 0.5 1 calc R U P C 2
C21 C 0.7458(6) 0.6146(7) 0.2687(3) 0.153(10) Uani 1 1 d DG U . . .
C22 C 0.7649(8) 0.5857(9) 0.2510(5) 0.163(11) Uani 1 1 d G U . . .
H22 H 0.7809 0.5677 0.2622 0.195 Uiso 1 1 calc R U . . .
C23 C 0.7607(10) 0.5830(9) 0.2171(5) 0.188(13) Uani 1 1 d G U . . .
H23 H 0.7737 0.5632 0.2050 0.226 Uiso 1 1 calc R U . . .
C24 C 0.7373(9) 0.6093(9) 0.2007(3) 0.198(14) Uani 1 1 d G U . . .
H24 H 0.7344 0.6075 0.1775 0.238 Uiso 1 1 calc R U . . .
C25 C 0.7182(10) 0.6383(11) 0.2184(5) 0.234(17) Uani 1 1 d G U . . .
H25 H 0.7023 0.6563 0.2072 0.281 Uiso 1 1 calc R U . . .
C26 C 0.7225(9) 0.6410(9) 0.2524(5) 0.190(13) Uani 1 1 d G U . . .
H26 H 0.7094 0.6608 0.2644 0.228 Uiso 1 1 calc R U . . .
C31 C 0.7056(6) 0.6371(6) 0.3314(3) 0.207(13) Uani 1 1 d DG U . . .
C32 C 0.6497(7) 0.6022(7) 0.3294(5) 0.195(11) Uani 1 1 d DG U . . .
H32 H 0.6356 0.5680 0.3187 0.234 Uiso 1 1 calc R U . . .
C33 C 0.6143(7) 0.6173(10) 0.3431(6) 0.199(10) Uani 1 1 d G U . . .
H33 H 0.5760 0.5934 0.3418 0.239 Uiso 1 1 calc R U . . .
C34 C 0.6348(10) 0.6673(11) 0.3588(5) 0.250(17) Uani 1 1 d G U . . .
H34 H 0.6106 0.6776 0.3682 0.300 Uiso 1 1 calc R U . . .
C35 C 0.6907(11) 0.7022(9) 0.3608(6) 0.214(13) Uani 1 1 d G U . . .
H35 H 0.7047 0.7364 0.3715 0.257 Uiso 1 1 calc R U . . .
C36 C 0.7261(8) 0.6871(7) 0.3471(5) 0.225(15) Uani 1 1 d DG U . . .
H36 H 0.7643 0.7110 0.3484 0.270 Uiso 1 1 calc R U . . .
P2 P 0.6667 0.3333 0.5731(2) 0.077(3) Uani 1 3 d S T P . .
C1P2 C 0.6839(6) 0.3989(5) 0.5923(3) 0.074(6) Uani 1 1 d G U . . .
C2P2 C 0.7139(6) 0.4448(6) 0.5730(2) 0.072(5) Uani 1 1 d G U . . .
H2P2 H 0.7241 0.4412 0.5514 0.087 Uiso 1 1 calc R U . . .
C3P2 C 0.7289(5) 0.4961(5) 0.5854(3) 0.083(6) Uani 1 1 d G U . . .
H3P2 H 0.7494 0.5276 0.5722 0.100 Uiso 1 1 calc R U . . .
C4P2 C 0.7140(6) 0.5014(5) 0.6170(3) 0.089(6) Uani 1 1 d G U . . .
H4P2 H 0.7242 0.5365 0.6255 0.107 Uiso 1 1 calc R U . . .
C5P2 C 0.6840(6) 0.4555(6) 0.6363(2) 0.087(6) Uani 1 1 d G U . . .
H5P2 H 0.6738 0.4591 0.6579 0.105 Uiso 1 1 calc R U . . .
C6P2 C 0.6690(6) 0.4042(5) 0.6239(3) 0.078(6) Uani 1 1 d G U . . .
H6P2 H 0.6485 0.3728 0.6371 0.094 Uiso 1 1 calc R U . . .
P1S P 0.5358(3) 0.4266(3) 0.57408(15) 0.087(2) Uani 1 1 d . . . . .
O1S O 0.5739(9) 0.4017(9) 0.5514(5) 0.145(7) Uani 1 1 d . . . . .
C11S C 0.5367(6) 0.4115(6) 0.6168(3) 0.077(5) Uani 1 1 d G U . . .
C12S C 0.5288(7) 0.3604(6) 0.6247(3) 0.108(8) Uani 1 1 d G U . . .
H12S H 0.5246 0.3356 0.6078 0.130 Uiso 1 1 calc R U . . .
C13S C 0.5271(7) 0.3458(5) 0.6574(4) 0.096(7) Uani 1 1 d G U . . .
H13S H 0.5217 0.3108 0.6629 0.115 Uiso 1 1 calc R U . . .
C14S C 0.5333(7) 0.3822(6) 0.6821(3) 0.107(8) Uani 1 1 d G U . . .
H14S H 0.5321 0.3721 0.7044 0.129 Uiso 1 1 calc R U . . .
C15S C 0.5411(7) 0.4333(6) 0.6741(3) 0.114(9) Uani 1 1 d G U . . .
H15S H 0.5453 0.4581 0.6910 0.136 Uiso 1 1 calc R U . . .
C16S C 0.5428(7) 0.4479(5) 0.6415(4) 0.104(8) Uani 1 1 d G U . . .
H16S H 0.5482 0.4829 0.6360 0.125 Uiso 1 1 calc R U . . .
C21S C 0.5682(7) 0.4976(5) 0.5679(4) 0.078(5) Uani 1 1 d G U . . .
C22S C 0.6189(7) 0.5303(7) 0.5822(4) 0.110(8) Uani 1 1 d G U . . .
H22S H 0.6346 0.5145 0.5956 0.132 Uiso 1 1 calc R U . . .
C23S C 0.6464(5) 0.5862(6) 0.5768(4) 0.120(9) Uani 1 1 d G U . . .
H23S H 0.6811 0.6086 0.5866 0.144 Uiso 1 1 calc R U . . .
C24S C 0.6233(7) 0.6093(5) 0.5572(4) 0.100(7) Uani 1 1 d G U . . .
H24S H 0.6422 0.6475 0.5535 0.120 Uiso 1 1 calc R U . . .
C25S C 0.5727(7) 0.5766(7) 0.5429(4) 0.098(7) Uani 1 1 d G U . . .
H25S H 0.5569 0.5924 0.5295 0.117 Uiso 1 1 calc R U . . .
C26S C 0.5451(5) 0.5207(6) 0.5483(4) 0.093(6) Uani 1 1 d G U . . .
H26S H 0.5105 0.4983 0.5385 0.112 Uiso 1 1 calc R U . . .
C31S C 0.4698(5) 0.3952(7) 0.5590(4) 0.103(7) Uani 1 1 d G U . . .
C32S C 0.4359(7) 0.4137(6) 0.5706(3) 0.093(6) Uani 1 1 d G U . . .
H32S H 0.4492 0.4426 0.5861 0.112 Uiso 1 1 calc R U . . .
C33S C 0.3824(6) 0.3900(7) 0.5596(4) 0.117(8) Uani 1 1 d G U . . .
H33S H 0.3593 0.4027 0.5676 0.140 Uiso 1 1 calc R U . . .
C34S C 0.3629(5) 0.3478(7) 0.5370(4) 0.114(7) Uani 1 1 d G U . . .
H34S H 0.3264 0.3316 0.5294 0.136 Uiso 1 1 calc R U . . .
C35S C 0.3968(7) 0.3292(6) 0.5254(4) 0.120(8) Uani 1 1 d G U . . .
H35S H 0.3835 0.3004 0.5099 0.144 Uiso 1 1 calc R U . . .
C36S C 0.4503(6) 0.3530(7) 0.5364(4) 0.101(7) Uani 1 1 d G U . . .
H36S H 0.4734 0.3403 0.5284 0.121 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'
Ag Ag 0.1306 4.2820 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
Ag1 Pt1 Ag1 63.92(7) 3_665 .
Ag1 Pt1 Ag1 63.92(7) 3_665 2_655
Ag1 Pt1 Ag1 63.92(7) . 2_655
Ag1 Pt1 Ag4 115.71(5) 3_665 3_665
Ag1 Pt1 Ag4 179.10(6) . 3_665
Ag1 Pt1 Ag4 116.75(5) 2_655 3_665
Ag1 Pt1 Ag4 116.75(5) 3_665 .
Ag1 Pt1 Ag4 115.71(5) . .
Ag1 Pt1 Ag4 179.10(6) 2_655 .
Ag4 Pt1 Ag4 63.64(7) 3_665 .
Ag1 Pt1 Ag4 179.10(6) 3_665 2_655
Ag1 Pt1 Ag4 116.75(5) . 2_655
Ag1 Pt1 Ag4 115.70(5) 2_655 2_655
Ag4 Pt1 Ag4 63.64(7) 3_665 2_655
Ag4 Pt1 Ag4 63.64(7) . 2_655
Ag1 Pt1 Ag3 62.62(5) 3_665 3_665
Ag1 Pt1 Ag3 116.15(6) . 3_665
Ag1 Pt1 Ag3 116.34(6) 2_655 3_665
Ag4 Pt1 Ag3 63.07(6) 3_665 3_665
Ag4 Pt1 Ag3 64.56(6) . 3_665
Ag4 Pt1 Ag3 117.19(7) 2_655 3_665
Ag1 Pt1 Ag3 116.34(6) 3_665 .
Ag1 Pt1 Ag3 62.62(5) . .
Ag1 Pt1 Ag3 116.15(6) 2_655 .
Ag4 Pt1 Ag3 117.19(7) 3_665 .
Ag4 Pt1 Ag3 63.07(6) . .
Ag4 Pt1 Ag3 64.56(6) 2_655 .
Ag3 Pt1 Ag3 116.87(3) 3_665 .
Ag1 Pt1 Ag3 116.15(6) 3_665 2_655
Ag1 Pt1 Ag3 116.34(6) . 2_655
Ag1 Pt1 Ag3 62.62(5) 2_655 2_655
Ag4 Pt1 Ag3 64.56(6) 3_665 2_655
Ag4 Pt1 Ag3 117.19(7) . 2_655
Ag4 Pt1 Ag3 63.07(6) 2_655 2_655
Ag3 Pt1 Ag3 116.87(3) 3_665 2_655
Ag3 Pt1 Ag3 116.87(3) . 2_655
Ag1 Pt1 Ag2 63.27(5) 3_665 3_665
Ag1 Pt1 Ag2 62.52(5) . 3_665
Ag1 Pt1 Ag2 116.31(7) 2_655 3_665
Ag4 Pt1 Ag2 116.58(6) 3_665 3_665
Ag4 Pt1 Ag2 63.87(5) . 3_665
Ag4 Pt1 Ag2 117.53(6) 2_655 3_665
Ag3 Pt1 Ag2 63.89(5) 3_665 3_665
Ag3 Pt1 Ag2 63.00(5) . 3_665
Ag3 Pt1 Ag2 178.83(8) 2_655 3_665
Ag1 Pt1 Ag2 62.52(5) 3_665 2_655
Ag1 Pt1 Ag2 116.31(7) . 2_655
Ag1 Pt1 Ag2 63.27(5) 2_655 2_655
Ag4 Pt1 Ag2 63.87(5) 3_665 2_655
Ag4 Pt1 Ag2 117.53(6) . 2_655
Ag4 Pt1 Ag2 116.58(6) 2_655 2_655
Ag3 Pt1 Ag2 63.00(5) 3_665 2_655
Ag3 Pt1 Ag2 178.83(8) . 2_655
Ag3 Pt1 Ag2 63.89(5) 2_655 2_655
Ag2 Pt1 Ag2 116.21(3) 3_665 2_655
Ag1 Pt1 Ag2 116.30(7) 3_665 .
Ag1 Pt1 Ag2 63.26(5) . .
Ag1 Pt1 Ag2 62.52(5) 2_655 .
Ag4 Pt1 Ag2 117.53(6) 3_665 .
Ag4 Pt1 Ag2 116.58(6) . .
Ag4 Pt1 Ag2 63.87(5) 2_655 .
Ag3 Pt1 Ag2 178.83(8) 3_665 .
Ag3 Pt1 Ag2 63.89(5) . .
Ag3 Pt1 Ag2 63.01(5) 2_655 .
Ag2 Pt1 Ag2 116.21(3) 3_665 .
Ag2 Pt1 Ag2 116.21(3) 2_655 .
S1A Ag1 Pt1 160.53(15) . .
S1A Ag1 Ag3 139.01(16) . .
Pt1 Ag1 Ag3 58.92(5) . .
S1A Ag1 Ag2 131.13(16) . 3_665
Pt1 Ag1 Ag2 59.28(5) . 3_665
Ag3 Ag1 Ag2 60.68(6) . 3_665
S1A Ag1 Ag2 118.17(16) . .
Pt1 Ag1 Ag2 58.91(5) . .
Ag3 Ag1 Ag2 61.16(6) . .
Ag2 Ag1 Ag2 109.85(8) 3_665 .
S1A Ag1 Ag1 109.94(14) . 3_665
Pt1 Ag1 Ag1 58.04(3) . 3_665
Ag3 Ag1 Ag1 108.37(6) . 3_665
Ag2 Ag1 Ag1 60.23(7) 3_665 3_665
Ag2 Ag1 Ag1 107.88(6) . 3_665
S1A Ag1 Ag1 103.15(14) . 2_655
Pt1 Ag1 Ag1 58.04(3) . 2_655
Ag3 Ag1 Ag1 108.20(6) . 2_655
Ag2 Ag1 Ag1 108.72(6) 3_665 2_655
Ag2 Ag1 Ag1 59.19(7) . 2_655
Ag1 Ag1 Ag1 60.0 3_665 2_655
S1A Ag1 Ag5 54.22(14) . .
Pt1 Ag1 Ag5 144.76(7) . .
Ag3 Ag1 Ag5 91.14(7) . .
Ag2 Ag1 Ag5 91.05(7) 3_665 .
Ag2 Ag1 Ag5 125.36(8) . .
Ag1 Ag1 Ag5 125.96(9) 3_665 .
Ag1 Ag1 Ag5 157.20(6) 2_655 .
S2B Ag2 Pt1 161.30(16) . .
S2B Ag2 Ag1 140.24(16) . 2_655
Pt1 Ag2 Ag1 58.19(5) . 2_655
S2B Ag2 Ag3 128.55(16) . 2_655
Pt1 Ag2 Ag3 58.18(5) . 2_655
Ag1 Ag2 Ag3 59.56(6) 2_655 2_655
S2B Ag2 Ag1 122.97(16) . .
Pt1 Ag2 Ag1 57.83(5) . .
Ag1 Ag2 Ag1 60.58(8) 2_655 .
Ag3 Ag2 Ag1 107.75(8) 2_655 .
S2B Ag2 Ag4 108.49(15) . 2_655
Pt1 Ag2 Ag4 57.64(6) . 2_655
Ag1 Ag2 Ag4 106.97(8) 2_655 2_655
Ag3 Ag2 Ag4 59.39(6) 2_655 2_655
Ag1 Ag2 Ag4 107.04(7) . 2_655
S2B Ag2 Ag3 105.36(16) . .
Pt1 Ag2 Ag3 57.75(5) . .
Ag1 Ag2 Ag3 107.43(7) 2_655 .
Ag3 Ag2 Ag3 107.70(9) 2_655 .
Ag1 Ag2 Ag3 58.81(6) . .
Ag4 Ag2 Ag3 60.36(6) 2_655 .
S2B Ag2 Ag8 52.79(15) . .
Pt1 Ag2 Ag8 143.59(7) . .
Ag1 Ag2 Ag8 93.06(7) 2_655 .
Ag3 Ag2 Ag8 89.00(7) 2_655 .
Ag1 Ag2 Ag8 130.25(7) . .
Ag4 Ag2 Ag8 121.42(7) 2_655 .
Ag3 Ag2 Ag8 158.14(8) . .
S2B Ag2 Ag9 50.85(15) . .
Pt1 Ag2 Ag9 110.78(7) . .
Ag1 Ag2 Ag9 168.91(8) 2_655 .
Ag3 Ag2 Ag9 114.87(7) 2_655 .
Ag1 Ag2 Ag9 116.03(7) . .
Ag4 Ag2 Ag9 63.08(6) 2_655 .
Ag3 Ag2 Ag9 64.01(6) . .
Ag8 Ag2 Ag9 96.50(7) . .
S1C Ag3 Pt1 160.96(17) . .
S1C Ag3 Ag1 130.00(16) . .
Pt1 Ag3 Ag1 58.46(6) . .
S1C Ag3 Ag4 120.89(16) . .
Pt1 Ag3 Ag4 58.35(6) . .
Ag1 Ag3 Ag4 108.29(8) . .
S1C Ag3 Ag2 139.53(17) . 3_665
Pt1 Ag3 Ag2 58.81(5) . 3_665
Ag1 Ag3 Ag2 59.75(6) . 3_665
Ag4 Ag3 Ag2 60.86(6) . 3_665
S1C Ag3 Ag2 108.57(17) . .
Pt1 Ag3 Ag2 58.36(5) . .
Ag1 Ag3 Ag2 60.02(6) . .
Ag4 Ag3 Ag2 108.08(8) . .
Ag2 Ag3 Ag2 108.19(9) 3_665 .
S1C Ag3 Ag4 104.50(16) . 2_655
Pt1 Ag3 Ag4 57.60(6) . 2_655
Ag1 Ag3 Ag4 107.51(8) . 2_655
Ag4 Ag3 Ag4 59.74(8) . 2_655
Ag2 Ag3 Ag4 108.21(8) 3_665 2_655
Ag2 Ag3 Ag4 59.75(6) . 2_655
S1C Ag3 Ag6 51.22(15) . .
Pt1 Ag3 Ag6 146.61(7) . .
Ag1 Ag3 Ag6 92.46(7) . .
Ag4 Ag3 Ag6 127.48(8) . .
Ag2 Ag3 Ag6 93.67(7) 3_665 .
Ag2 Ag3 Ag6 123.88(8) . .
Ag4 Ag3 Ag6 155.68(8) 2_655 .
S1C Ag3 Ag9 50.71(16) . .
Pt1 Ag3 Ag9 110.83(7) . .
Ag1 Ag3 Ag9 116.61(7) . .
Ag4 Ag3 Ag9 114.47(7) . .
Ag2 Ag3 Ag9 169.63(9) 3_665 .
Ag2 Ag3 Ag9 63.47(6) . .
Ag4 Ag3 Ag9 62.71(6) 2_655 .
Ag6 Ag3 Ag9 96.24(7) . .
S2D Ag4 Pt1 163.32(17) . .
S2D Ag4 Ag3 120.68(18) . .
Pt1 Ag4 Ag3 58.59(5) . .
S2D Ag4 Ag4 129.35(18) . 3_665
Pt1 Ag4 Ag4 58.18(3) . 3_665
Ag3 Ag4 Ag4 108.82(7) . 3_665
S2D Ag4 Ag4 137.87(17) . 2_655
Pt1 Ag4 Ag4 58.18(3) . 2_655
Ag3 Ag4 Ag4 61.17(7) . 2_655
Ag4 Ag4 Ag4 60.000(1) 3_665 2_655
S2D Ag4 Ag2 105.81(16) . 3_665
Pt1 Ag4 Ag2 58.49(5) . 3_665
Ag3 Ag4 Ag2 59.75(6) . 3_665
Ag4 Ag4 Ag2 107.67(6) 3_665 3_665
Ag4 Ag4 Ag2 108.47(6) 2_655 3_665
S2D Ag4 Ag3 110.89(18) . 3_665
Pt1 Ag4 Ag3 57.84(5) . 3_665
Ag3 Ag4 Ag3 107.63(8) . 3_665
Ag4 Ag4 Ag3 59.09(7) 3_665 3_665
Ag4 Ag4 Ag3 107.17(6) 2_655 3_665
Ag2 Ag4 Ag3 59.89(6) 3_665 3_665
S2D Ag4 Ag7 51.26(15) . .
Pt1 Ag4 Ag7 144.37(8) . .
Ag3 Ag4 Ag7 127.20(8) . .
Ag4 Ag4 Ag7 91.07(5) 3_665 .
Ag4 Ag4 Ag7 92.19(5) 2_655 .
Ag2 Ag4 Ag7 157.06(9) 3_665 .
Ag3 Ag4 Ag7 124.20(8) 3_665 .
S2D Ag4 Ag9 51.68(16) . 3_665
Pt1 Ag4 Ag9 112.32(7) . 3_665
Ag3 Ag4 Ag9 116.06(8) . 3_665
Ag4 Ag4 Ag9 115.24(10) 3_665 3_665
Ag4 Ag4 Ag9 170.45(6) 2_655 3_665
Ag2 Ag4 Ag9 64.10(6) 3_665 3_665
Ag3 Ag4 Ag9 64.26(6) 3_665 3_665
Ag7 Ag4 Ag9 96.27(7) . 3_665
S1B Ag5 S2A 125.3(2) . 3_665
S1B Ag5 S1A 116.5(2) . .
S2A Ag5 S1A 112.5(2) 3_665 .
S1B Ag5 Ag1 114.42(16) . .
S2A Ag5 Ag1 114.45(15) 3_665 .
S1A Ag5 Ag1 51.23(12) . .
S1B Ag5 Ag6 52.22(15) . .
S2A Ag5 Ag6 103.67(14) 3_665 .
S1A Ag5 Ag6 136.06(14) . .
Ag1 Ag5 Ag6 91.78(6) . .
S1B Ag5 Ag8 105.84(16) . 3_665
S2A Ag5 Ag8 50.65(13) 3_665 3_665
S1A Ag5 Ag8 131.70(15) . 3_665
Ag1 Ag5 Ag8 91.26(6) . 3_665
Ag6 Ag5 Ag8 59.25(6) . 3_665
S1D Ag6 S1B 131.2(2) . .
S1D Ag6 S1C 116.2(2) . .
S1B Ag6 S1C 110.1(2) . .
S1D Ag6 Ag8 52.20(15) . 3_665
S1B Ag6 Ag8 107.00(16) . 3_665
S1C Ag6 Ag8 129.41(18) . 3_665
S1D Ag6 Ag5 108.83(16) . .
S1B Ag6 Ag5 51.76(16) . .
S1C Ag6 Ag5 123.59(16) . .
Ag8 Ag6 Ag5 60.97(6) 3_665 .
S1D Ag6 Ag3 110.56(17) . .
S1B Ag6 Ag3 110.85(16) . .
S1C Ag6 Ag3 49.37(16) . .
Ag8 Ag6 Ag3 85.86(7) 3_665 .
Ag5 Ag6 Ag3 84.53(6) . .
S2C Ag7 S2C 129.6(3) . 3_665
S2C Ag7 S2D 116.5(2) . .
S2C Ag7 S2D 110.9(2) 3_665 .
S2C Ag7 Ag7 106.78(19) . 3_665
S2C Ag7 Ag7 50.86(19) 3_665 3_665
S2D Ag7 Ag7 127.19(17) . 3_665
S2C Ag7 Ag7 51.92(19) . 2_655
S2C Ag7 Ag7 105.8(2) 3_665 2_655
S2D Ag7 Ag7 131.17(16) . 2_655
Ag7 Ag7 Ag7 60.0 3_665 2_655
S2C Ag7 Ag4 110.88(18) . .
S2C Ag7 Ag4 112.54(17) 3_665 .
S2D Ag7 Ag4 48.97(14) . .
Ag7 Ag7 Ag4 88.86(5) 3_665 .
Ag7 Ag7 Ag4 87.81(5) 2_655 .
S2A Ag8 S1D 128.8(2) . 2_655
S2A Ag8 S2B 114.3(2) . .
S1D Ag8 S2B 113.7(2) 2_655 .
S2A Ag8 Ag6 105.18(16) . 2_655
S1D Ag8 Ag6 51.29(16) 2_655 2_655
S2B Ag8 Ag6 130.54(16) . 2_655
S2A Ag8 Ag5 51.81(15) . 2_655
S1D Ag8 Ag5 106.88(17) 2_655 2_655
S2B Ag8 Ag5 128.38(16) . 2_655
Ag6 Ag8 Ag5 59.78(6) 2_655 2_655
S2A Ag8 Ag2 107.67(15) . .
S1D Ag8 Ag2 116.30(16) 2_655 .
S2B Ag8 Ag2 49.79(15) . .
Ag6 Ag8 Ag2 91.26(7) 2_655 .
Ag5 Ag8 Ag2 84.40(6) 2_655 .
S2B Ag9 S1C 115.6(2) . .
S2B Ag9 S2D 115.6(2) . 2_655
S1C Ag9 S2D 117.7(2) . 2_655
S2B Ag9 P1 99.9(3) . .
S1C Ag9 P1 102.7(3) . .
S2D Ag9 P1 101.1(2) 2_655 .
S2B Ag9 Ag4 96.78(16) . 2_655
S1C Ag9 Ag4 93.57(17) . 2_655
S2D Ag9 Ag4 47.74(15) 2_655 2_655
P1 Ag9 Ag4 148.8(2) . 2_655
S2B Ag9 Ag2 48.38(15) . .
S1C Ag9 Ag2 95.89(15) . .
S2D Ag9 Ag2 92.72(16) 2_655 .
P1 Ag9 Ag2 148.1(2) . .
Ag4 Ag9 Ag2 52.82(5) 2_655 .
S2B Ag9 Ag3 93.26(16) . .
S1C Ag9 Ag3 47.86(15) . .
S2D Ag9 Ag3 96.85(16) 2_655 .
P1 Ag9 Ag3 150.4(2) . .
Ag4 Ag9 Ag3 53.03(6) 2_655 .
Ag2 Ag9 Ag3 52.52(5) . .
P2 Ag10 S1A 111.10(12) . 3_665
P2 Ag10 S1A 111.10(12) . 2_655
S1A Ag10 S1A 107.79(13) 3_665 2_655
P2 Ag10 S1A 111.10(12) . .
S1A Ag10 S1A 107.79(13) 3_665 .
S1A Ag10 S1A 107.79(13) 2_655 .
C1A S1A Ag1 101.9(5) . .
C1A S1A Ag5 111.8(5) . .
Ag1 S1A Ag5 74.55(15) . .
C1A S1A Ag10 105.7(5) . .
Ag1 S1A Ag10 91.23(19) . .
Ag5 S1A Ag10 141.7(2) . .
C3A S2A Ag8 103.6(5) . .
C3A S2A Ag5 109.9(5) . 2_655
Ag8 S2A Ag5 77.54(17) . 2_655
C2A C1A C6A 120.0 . .
C2A C1A S1A 119.7(8) . .
C6A C1A S1A 120.0(8) . .
C3A C2A C1A 120.0 . .
C3A C2A H2A 120.0 . .
C1A C2A H2A 120.0 . .
C2A C3A C4A 120.0 . .
C2A C3A S2A 119.5(8) . .
C4A C3A S2A 120.5(8) . .
C3A C4A C5A 120.0 . .
C3A C4A H4A 120.0 . .
C5A C4A H4A 120.0 . .
C6A C5A C4A 120.0 . .
C6A C5A H5A 120.0 . .
C4A C5A H5A 120.0 . .
C5A C6A C1A 120.0 . .
C5A C6A H6A 120.0 . .
C1A C6A H6A 120.0 . .
C1B S1B Ag5 111.0(6) . .
C1B S1B Ag6 108.2(6) . .
Ag5 S1B Ag6 76.0(2) . .
C3B S2B Ag2 107.4(6) . .
C3B S2B Ag9 94.2(5) . .
Ag2 S2B Ag9 80.8(2) . .
C3B S2B Ag8 127.0(5) . .
Ag2 S2B Ag8 77.42(19) . .
Ag9 S2B Ag8 137.5(3) . .
C2B C1B C6B 120.0 . .
C2B C1B S1B 119.7(10) . .
C6B C1B S1B 119.7(10) . .
C3B C2B C1B 120.0 . .
C3B C2B H2B 120.0 . .
C1B C2B H2B 120.0 . .
C4B C3B C2B 120.0 . .
C4B C3B S2B 115.8(10) . .
C2B C3B S2B 124.0(10) . .
C3B C4B C5B 120.0 . .
C3B C4B H4B 120.0 . .
C5B C4B H4B 120.0 . .
C4B C5B C6B 120.0 . .
C4B C5B H5B 120.0 . .
C6B C5B H5B 120.0 . .
C5B C6B C1B 120.0 . .
C5B C6B H6B 120.0 . .
C1B C6B H6B 120.0 . .
C1CA S1C Ag3 110.4(10) . .
C1CB S1C Ag3 105.2(8) . .
C1CA S1C Ag6 126.1(5) . .
C1CB S1C Ag6 115.6(7) . .
Ag3 S1C Ag6 79.41(19) . .
C1CA S1C Ag9 91.5(6) . .
C1CB S1C Ag9 101.1(8) . .
Ag3 S1C Ag9 81.4(2) . .
Ag6 S1C Ag9 141.9(3) . .
C3CB S2C Ag7 103.1(5) . .
C3CA S2C Ag7 112.9(8) . .
C3CB S2C Ag7 109.4(11) . 2_655
C3CA S2C Ag7 105.8(9) . 2_655
Ag7 S2C Ag7 77.2(2) . 2_655
C2CA C1CA C6CA 120.0 . .
C2CA C1CA S1C 122(2) . .
C6CA C1CA S1C 118(2) . .
C3CA C2CA C1CA 120.0 . .
C3CA C2CA H2CA 120.0 . .
C1CA C2CA H2CA 120.0 . .
C4CA C3CA C2CA 120.0 . .
C4CA C3CA S2C 119(2) . .
C2CA C3CA S2C 121(2) . .
C3CA C4CA C5CA 120.0 . .
C3CA C4CA H4CA 120.0 . .
C5CA C4CA H4CA 120.0 . .
C6CA C5CA C4CA 120.0 . .
C6CA C5CA H5CA 120.0 . .
C4CA C5CA H5CA 120.0 . .
C5CA C6CA C1CA 120.0 . .
C5CA C6CA H6CA 120.0 . .
C1CA C6CA H6CA 120.0 . .
C2CB C1CB C6CB 120.0 . .
C2CB C1CB S1C 119(2) . .
C6CB C1CB S1C 121(2) . .
C3CB C2CB C1CB 120.0 . .
C3CB C2CB H2CB 120.0 . .
C1CB C2CB H2CB 120.0 . .
C4CB C3CB C2CB 120.0 . .
C4CB C3CB S2C 116(2) . .
C2CB C3CB S2C 124(2) . .
C5CB C4CB C3CB 120.0 . .
C5CB C4CB H4CB 120.0 . .
C3CB C4CB H4CB 120.0 . .
C4CB C5CB C6CB 120.0 . .
C4CB C5CB H5CB 120.0 . .
C6CB C5CB H5CB 120.0 . .
C5CB C6CB C1CB 120.0 . .
C5CB C6CB H6CB 120.0 . .
C1CB C6CB H6CB 120.0 . .
C1DA S1D Ag6 101.1(4) . .
C1DB S1D Ag6 114.6(7) . .
C1DA S1D Ag8 107.5(8) . 3_665
C1DB S1D Ag8 106.4(7) . 3_665
Ag6 S1D Ag8 76.52(18) . 3_665
C3DB S2D Ag4 109.3(9) . .
C3DA S2D Ag4 105.4(6) . .
C3DB S2D Ag7 125.8(5) . .
C3DA S2D Ag7 111.8(7) . .
Ag4 S2D Ag7 79.8(2) . .
C3DB S2D Ag9 94.2(6) . 3_665
C3DA S2D Ag9 107.5(8) . 3_665
Ag4 S2D Ag9 80.58(19) . 3_665
Ag7 S2D Ag9 139.4(3) . 3_665
C2DA C1DA C6DA 120.0 . .
C2DA C1DA S1D 125.5(16) . .
C6DA C1DA S1D 114.5(16) . .
C1DA C2DA C3DA 120.0 . .
C1DA C2DA H2DA 120.0 . .
C3DA C2DA H2DA 120.0 . .
C4DA C3DA C2DA 120.0 . .
C4DA C3DA S2D 125.9(16) . .
C2DA C3DA S2D 114.1(16) . .
C3DA C4DA C5DA 120.0 . .
C3DA C4DA H4DA 120.0 . .
C5DA C4DA H4DA 120.0 . .
C4DA C5DA C6DA 120.0 . .
C4DA C5DA H5DA 120.0 . .
C6DA C5DA H5DA 120.0 . .
C5DA C6DA C1DA 120.0 . .
C5DA C6DA H6DA 120.0 . .
C1DA C6DA H6DA 120.0 . .
C2DB C1DB C6DB 120.0 . .
C2DB C1DB S1D 115.2(17) . .
C6DB C1DB S1D 124.8(17) . .
C3DB C2DB C1DB 120.0 . .
C3DB C2DB H2DB 120.0 . .
C1DB C2DB H2DB 120.0 . .
C2DB C3DB C4DB 120.0 . .
C2DB C3DB S2D 125.8(19) . .
C4DB C3DB S2D 114.2(19) . .
C5DB C4DB C3DB 120.0 . .
C5DB C4DB H4DB 120.0 . .
C3DB C4DB H4DB 120.0 . .
C4DB C5DB C6DB 120.0 . .
C4DB C5DB H5DB 120.0 . .
C6DB C5DB H5DB 120.0 . .
C5DB C6DB C1DB 120.0 . .
C5DB C6DB H6DB 120.0 . .
C1DB C6DB H6DB 120.0 . .
C21 P1 C31 110.0(9) . .
C21 P1 C11A 110.8(9) . .
C31 P1 C11A 98.1(8) . .
C21 P1 C11B 104.7(10) . .
C31 P1 C11B 112.9(9) . .
C21 P1 Ag9 109.1(7) . .
C31 P1 Ag9 107.7(4) . .
C11A P1 Ag9 120.3(9) . .
C11B P1 Ag9 112.3(9) . .
C12A C11A C16A 120.0 . .
C12A C11A P1 120.3(8) . .
C16A C11A P1 119.7(8) . .
C11A C12A C13A 120.0 . .
C11A C12A H12A 120.0 . .
C13A C12A H12A 120.0 . .
C14A C13A C12A 120.0 . .
C14A C13A H13A 120.0 . .
C12A C13A H13A 120.0 . .
C15A C14A C13A 120.0 . .
C15A C14A H14A 120.0 . .
C13A C14A H14A 120.0 . .
C14A C15A C16A 120.0 . .
C14A C15A H15A 120.0 . .
C16A C15A H15A 120.0 . .
C15A C16A C11A 120.0 . .
C15A C16A H16A 120.0 . .
C11A C16A H16A 120.0 . .
C12B C11B C16B 120.0 . .
C12B C11B P1 120.0(8) . .
C16B C11B P1 120.0(8) . .
C11B C12B C13B 120.0 . .
C11B C12B H12B 120.0 . .
C13B C12B H12B 120.0 . .
C14B C13B C12B 120.0 . .
C14B C13B H13B 120.0 . .
C12B C13B H13B 120.0 . .
C15B C14B C13B 120.0 . .
C15B C14B H14B 120.0 . .
C13B C14B H14B 120.0 . .
C14B C15B C16B 120.0 . .
C14B C15B H15B 120.0 . .
C16B C15B H15B 120.0 . .
C15B C16B C11B 120.0 . .
C15B C16B H16B 120.0 . .
C11B C16B H16B 120.0 . .
C22 C21 C26 120.0 . .
C22 C21 P1 118.7(15) . .
C26 C21 P1 121.3(15) . .
C23 C22 C21 120.0 . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C24 C23 C22 120.0 . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C25 C24 C23 120.0 . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 120.0 . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C25 C26 C21 120.0 . .
C25 C26 H26 120.0 . .
C21 C26 H26 120.0 . .
C32 C31 C36 120.0 . .
C32 C31 P1 119.9(7) . .
C36 C31 P1 120.1(7) . .
C33 C32 C31 120.0 . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C35 C34 C33 120.0 . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.0 . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C35 C36 C31 120.0 . .
C35 C36 H36 120.0 . .
C31 C36 H36 120.0 . .
C1P2 P2 C1P2 103.4(6) . 3_665
C1P2 P2 C1P2 103.4(6) . 2_655
C1P2 P2 C1P2 103.4(6) 3_665 2_655
C1P2 P2 Ag10 115.0(5) . .
C1P2 P2 Ag10 115.0(5) 3_665 .
C1P2 P2 Ag10 115.0(5) 2_655 .
C2P2 C1P2 C6P2 120.0 . .
C2P2 C1P2 P2 115.9(9) . .
C6P2 C1P2 P2 124.1(9) . .
C3P2 C2P2 C1P2 120.0 . .
C3P2 C2P2 H2P2 120.0 . .
C1P2 C2P2 H2P2 120.0 . .
C2P2 C3P2 C4P2 120.0 . .
C2P2 C3P2 H3P2 120.0 . .
C4P2 C3P2 H3P2 120.0 . .
C3P2 C4P2 C5P2 120.0 . .
C3P2 C4P2 H4P2 120.0 . .
C5P2 C4P2 H4P2 120.0 . .
C6P2 C5P2 C4P2 120.0 . .
C6P2 C5P2 H5P2 120.0 . .
C4P2 C5P2 H5P2 120.0 . .
C5P2 C6P2 C1P2 120.0 . .
C5P2 C6P2 H6P2 120.0 . .
C1P2 C6P2 H6P2 120.0 . .
C31S P1S C21S 110.4(9) . .
C31S P1S C11S 111.2(8) . .
C21S P1S C11S 110.4(8) . .
C31S P1S O1S 108.7(9) . .
C21S P1S O1S 107.5(9) . .
C11S P1S O1S 108.7(8) . .
C12S C11S C16S 120.0 . .
C12S C11S P1S 117.4(9) . .
C16S C11S P1S 122.5(9) . .
C13S C12S C11S 120.0 . .
C13S C12S H12S 120.0 . .
C11S C12S H12S 120.0 . .
C12S C13S C14S 120.0 . .
C12S C13S H13S 120.0 . .
C14S C13S H13S 120.0 . .
C15S C14S C13S 120.0 . .
C15S C14S H14S 120.0 . .
C13S C14S H14S 120.0 . .
C14S C15S C16S 120.0 . .
C14S C15S H15S 120.0 . .
C16S C15S H15S 120.0 . .
C15S C16S C11S 120.0 . .
C15S C16S H16S 120.0 . .
C11S C16S H16S 120.0 . .
C22S C21S C26S 120.0 . .
C22S C21S P1S 118.5(10) . .
C26S C21S P1S 121.4(10) . .
C21S C22S C23S 120.0 . .
C21S C22S H22S 120.0 . .
C23S C22S H22S 120.0 . .
C24S C23S C22S 120.0 . .
C24S C23S H23S 120.0 . .
C22S C23S H23S 120.0 . .
C25S C24S C23S 120.0 . .
C25S C24S H24S 120.0 . .
C23S C24S H24S 120.0 . .
C24S C25S C26S 120.0 . .
C24S C25S H25S 120.0 . .
C26S C25S H25S 120.0 . .
C25S C26S C21S 120.0 . .
C25S C26S H26S 120.0 . .
C21S C26S H26S 120.0 . .
C32S C31S C36S 120.0 . .
C32S C31S P1S 117.3(11) . .
C36S C31S P1S 122.7(11) . .
C31S C32S C33S 120.0 . .
C31S C32S H32S 120.0 . .
C33S C32S H32S 120.0 . .
C34S C33S C32S 120.0 . .
C34S C33S H33S 120.0 . .
C32S C33S H33S 120.0 . .
C33S C34S C35S 120.0 . .
C33S C34S H34S 120.0 . .
C35S C34S H34S 120.0 . .
C34S C35S C36S 120.0 . .
C34S C35S H35S 120.0 . .
C36S C35S H35S 120.0 . .
C35S C36S C31S 120.0 . .
C35S C36S H36S 120.0 . .
C31S C36S H36S 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 Ag1 2.740(2) 3_665
Pt1 Ag1 2.740(2) .
Pt1 Ag1 2.740(2) 2_655
Pt1 Ag4 2.746(2) 3_665
Pt1 Ag4 2.746(2) .
Pt1 Ag4 2.746(2) 2_655
Pt1 Ag3 2.7533(19) 3_665
Pt1 Ag3 2.7533(19) .
Pt1 Ag3 2.7533(19) 2_655
Pt1 Ag2 2.7717(18) 3_665
Pt1 Ag2 2.7717(18) 2_655
Pt1 Ag2 2.7717(18) .
Ag1 S1A 2.471(5) .
Ag1 Ag3 2.855(2) .
Ag1 Ag2 2.860(2) 3_665
Ag1 Ag2 2.891(2) .
Ag1 Ag1 2.900(3) 3_665
Ag1 Ag1 2.901(3) 2_655
Ag1 Ag5 3.055(2) .
Ag2 S2B 2.496(7) .
Ag2 Ag1 2.860(2) 2_655
Ag2 Ag3 2.887(2) 2_655
Ag2 Ag4 2.919(2) 2_655
Ag2 Ag3 2.923(2) .
Ag2 Ag8 3.190(3) .
Ag2 Ag9 3.296(3) .
Ag3 S1C 2.483(7) .
Ag3 Ag4 2.876(3) .
Ag3 Ag2 2.887(2) 3_665
Ag3 Ag4 2.937(2) 2_655
Ag3 Ag6 3.216(3) .
Ag3 Ag9 3.311(3) .
Ag4 S2D 2.451(6) .
Ag4 Ag4 2.896(3) 3_665
Ag4 Ag4 2.896(3) 2_655
Ag4 Ag2 2.919(2) 3_665
Ag4 Ag3 2.937(2) 3_665
Ag4 Ag7 3.197(2) .
Ag4 Ag9 3.267(3) 3_665
Ag5 S1B 2.477(7) .
Ag5 S2A 2.492(6) 3_665
Ag5 S1A 2.571(6) .
Ag5 Ag6 3.060(2) .
Ag5 Ag8 3.096(2) 3_665
Ag6 S1D 2.442(7) .
Ag6 S1B 2.492(7) .
Ag6 S1C 2.550(6) .
Ag6 Ag8 3.043(3) 3_665
Ag7 S2C 2.449(8) .
Ag7 S2C 2.486(8) 3_665
Ag7 S2D 2.534(7) .
Ag7 Ag7 3.080(4) 3_665
Ag7 Ag7 3.080(4) 2_655
Ag8 S2A 2.452(6) .
Ag8 S1D 2.473(6) 2_655
Ag8 S2B 2.603(7) .
Ag8 Ag6 3.043(3) 2_655
Ag8 Ag5 3.096(2) 2_655
Ag9 S2B 2.589(6) .
Ag9 S1C 2.592(7) .
Ag9 S2D 2.598(7) 2_655
Ag9 P1 2.604(10) .
Ag9 Ag4 3.267(3) 2_655
Ag10 P2 2.555(9) .
Ag10 S1A 2.681(6) 3_665
Ag10 S1A 2.681(6) 2_655
Ag10 S1A 2.681(6) .
S1A C1A 1.807(11) .
S2A C3A 1.785(11) .
S2A Ag5 2.492(6) 2_655
C1A C2A 1.3900 .
C1A C6A 1.3900 .
C2A C3A 1.3900 .
C2A H2A 0.9500 .
C3A C4A 1.3900 .
C4A C5A 1.3900 .
C4A H4A 0.9500 .
C5A C6A 1.3900 .
C5A H5A 0.9500 .
C6A H6A 0.9500 .
S1B C1B 1.771(12) .
S2B C3B 1.786(12) .
C1B C2B 1.3900 .
C1B C6B 1.3900 .
C2B C3B 1.3900 .
C2B H2B 0.9500 .
C3B C4B 1.3900 .
C4B C5B 1.3900 .
C4B H4B 0.9500 .
C5B C6B 1.3900 .
C5B H5B 0.9500 .
C6B H6B 0.9500 .
S1C C1CA 1.773(13) .
S1C C1CB 1.794(14) .
S2C C3CB 1.798(14) .
S2C C3CA 1.812(14) .
S2C Ag7 2.486(8) 2_655
C1CA C2CA 1.3900 .
C1CA C6CA 1.3900 .
C2CA C3CA 1.3900 .
C2CA H2CA 0.9500 .
C3CA C4CA 1.3900 .
C4CA C5CA 1.3900 .
C4CA H4CA 0.9500 .
C5CA C6CA 1.3900 .
C5CA H5CA 0.9500 .
C6CA H6CA 0.9500 .
C1CB C2CB 1.3900 .
C1CB C6CB 1.3900 .
C2CB C3CB 1.3900 .
C2CB H2CB 0.9500 .
C3CB C4CB 1.3900 .
C4CB C5CB 1.3900 .
C4CB H4CB 0.9500 .
C5CB C6CB 1.3900 .
C5CB H5CB 0.9500 .
C6CB H6CB 0.9500 .
S1D C1DA 1.817(13) .
S1D C1DB 1.828(13) .
S1D Ag8 2.473(6) 3_665
S2D C3DB 1.803(14) .
S2D C3DA 1.843(14) .
S2D Ag9 2.598(7) 3_665
C1DA C2DA 1.3900 .
C1DA C6DA 1.3900 .
C2DA C3DA 1.3900 .
C2DA H2DA 0.9500 .
C3DA C4DA 1.3900 .
C4DA C5DA 1.3900 .
C4DA H4DA 0.9500 .
C5DA C6DA 1.3900 .
C5DA H5DA 0.9500 .
C6DA H6DA 0.9500 .
C1DB C2DB 1.3900 .
C1DB C6DB 1.3900 .
C2DB C3DB 1.3900 .
C2DB H2DB 0.9500 .
C3DB C4DB 1.3900 .
C4DB C5DB 1.3900 .
C4DB H4DB 0.9500 .
C5DB C6DB 1.3900 .
C5DB H5DB 0.9500 .
C6DB H6DB 0.9500 .
P1 C21 1.829(11) .
P1 C31 1.830(11) .
P1 C11A 1.831(12) .
P1 C11B 1.832(12) .
C11A C12A 1.3900 .
C11A C16A 1.3900 .
C12A C13A 1.3900 .
C12A H12A 0.9500 .
C13A C14A 1.3900 .
C13A H13A 0.9500 .
C14A C15A 1.3900 .
C14A H14A 0.9500 .
C15A C16A 1.3900 .
C15A H15A 0.9500 .
C16A H16A 0.9500 .
C11B C12B 1.3900 .
C11B C16B 1.3900 .
C12B C13B 1.3900 .
C12B H12B 0.9500 .
C13B C14B 1.3900 .
C13B H13B 0.9500 .
C14B C15B 1.3900 .
C14B H14B 0.9500 .
C15B C16B 1.3900 .
C15B H15B 0.9500 .
C16B H16B 0.9500 .
C21 C22 1.3900 .
C21 C26 1.3900 .
C22 C23 1.3900 .
C22 H22 0.9500 .
C23 C24 1.3900 .
C23 H23 0.9500 .
C24 C25 1.3900 .
C24 H24 0.9500 .
C25 C26 1.3900 .
C25 H25 0.9500 .
C26 H26 0.9500 .
C31 C32 1.3900 .
C31 C36 1.3900 .
C32 C33 1.3900 .
C32 H32 0.9500 .
C33 C34 1.3900 .
C33 H33 0.9500 .
C34 C35 1.3900 .
C34 H34 0.9500 .
C35 C36 1.3900 .
C35 H35 0.9500 .
C36 H36 0.9500 .
P2 C1P2 1.842(11) .
P2 C1P2 1.842(11) 3_665
P2 C1P2 1.842(11) 2_655
C1P2 C2P2 1.3900 .
C1P2 C6P2 1.3900 .
C2P2 C3P2 1.3900 .
C2P2 H2P2 0.9500 .
C3P2 C4P2 1.3900 .
C3P2 H3P2 0.9500 .
C4P2 C5P2 1.3900 .
C4P2 H4P2 0.9500 .
C5P2 C6P2 1.3900 .
C5P2 H5P2 0.9500 .
C6P2 H6P2 0.9500 .
P1S C31S 1.734(13) .
P1S C21S 1.763(13) .
P1S C11S 1.796(12) .
P1S O1S 1.81(2) .
C11S C12S 1.3900 .
C11S C16S 1.3900 .
C12S C13S 1.3900 .
C12S H12S 0.9500 .
C13S C14S 1.3900 .
C13S H13S 0.9500 .
C14S C15S 1.3900 .
C14S H14S 0.9500 .
C15S C16S 1.3900 .
C15S H15S 0.9500 .
C16S H16S 0.9500 .
C21S C22S 1.3900 .
C21S C26S 1.3900 .
C22S C23S 1.3900 .
C22S H22S 0.9500 .
C23S C24S 1.3900 .
C23S H23S 0.9500 .
C24S C25S 1.3900 .
C24S H24S 0.9500 .
C25S C26S 1.3900 .
C25S H25S 0.9500 .
C26S H26S 0.9500 .
C31S C32S 1.3900 .
C31S C36S 1.3900 .
C32S C33S 1.3900 .
C32S H32S 0.9500 .
C33S C34S 1.3900 .
C33S H33S 0.9500 .
C34S C35S 1.3900 .
C34S H34S 0.9500 .
C35S C36S 1.3900 .
C35S H35S 0.9500 .
C36S H36S 0.9500 .
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 0.000 -0.002 9705 3097 ' '
