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#$Date: 2024-10-06 10:05:08 +0300 (Sun, 06 Oct 2024) $
#$Revision: 295188 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/23/1572382.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_1572382
loop_
_publ_author_name
'Chiu, Tzu-Hao'
'Pillay, Michael N.'
'Wu, Ying-Yann'
'Niihori, Yoshiki'
'Negishi, Yuichi'
'Chen, Jie-Ying'
'Chen, Yuan Jang'
'Kahlal, Samia'
'Saillard, Jean-Yves'
'Liu, C. W.'
_publ_section_title
;
 Controlled aggregation of Pt/PtH/Rh/RhH doped silver superatomic
 nanoclusters into 16-electron supermolecules.
;
_journal_issue                   36
_journal_name_full               'Chemical science'
_journal_page_first              14660
_journal_page_last               14667
_journal_paper_doi               10.1039/d4sc02920h
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C102 H238 Ag33 O34 P17 Pt2 S34'
_chemical_formula_weight         7575.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-03-22 deposited with the CCDC.	2024-08-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.569(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   44.382(7)
_cell_length_b                   17.680(3)
_cell_length_c                   28.939(4)
_cell_measurement_reflns_used    9589
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      2.42
_cell_volume                     21118(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            91475
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.472
_exptl_absorpt_coefficient_mu    4.814
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.383
_exptl_crystal_description       block
_exptl_crystal_F_000             14512
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.805
_refine_diff_density_min         -1.366
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1063
_refine_ls_number_reflns         18602
_refine_ls_number_restraints     359
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0093P)²+631.0300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0811
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16693
_reflns_number_total             18602
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc02920h2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 1572381--1572383.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1572382
_shelx_shelxl_version_number     2018/3
_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   0.513
_shelx_estimated_absorpt_t_max   0.699
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_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 0.56563(2) 0.69606(2) 0.30133(2) 0.01631(6) Uani 1 1 d . . . . .
Ag1 Ag 0.60003(2) 0.75847(3) 0.24808(2) 0.02455(12) Uani 1 1 d . . . . .
Ag2 Ag 0.58732(2) 0.83962(3) 0.33054(2) 0.02567(12) Uani 1 1 d . . . . .
Ag3 Ag 0.63164(2) 0.70711(3) 0.34677(2) 0.02455(12) Uani 1 1 d . . . . .
Ag4 Ag 0.60262(2) 0.59840(3) 0.26967(2) 0.02316(12) Uani 1 1 d . . . . .
Ag5 Ag 0.54477(2) 0.66851(3) 0.19963(2) 0.01909(11) Uani 1 1 d . . . . .
Ag6 Ag 0.53666(2) 0.81459(3) 0.23923(2) 0.01876(11) Uani 1 1 d . . . . .
Ag7 Ag 0.58613(2) 0.72390(3) 0.40035(2) 0.02330(12) Uani 1 1 d . . . . .
Ag8 Ag 0.59249(2) 0.57602(3) 0.36158(2) 0.02209(11) Uani 1 1 d . . . . .
Ag9 Ag 0.53955(2) 0.55456(3) 0.26637(2) 0.01856(11) Uani 1 1 d . . . . .
Ag10 Ag 0.500000 0.68931(4) 0.250000 0.01540(14) Uani 1 2 d S T P . .
Ag11 Ag 0.47168(2) 0.62707(3) 0.15308(2) 0.01995(11) Uani 1 1 d . . . . .
Ag12 Ag 0.47371(2) 0.78729(3) 0.16260(2) 0.02250(11) Uani 1 1 d . . . . .
Ag13 Ag 0.55594(2) 0.80760(3) 0.14952(2) 0.02716(12) Uani 1 1 d . . . . .
Ag14 Ag 0.59044(2) 0.92096(3) 0.24123(2) 0.03236(14) Uani 1 1 d . . . . .
Ag15 Ag 0.64329(2) 0.82492(3) 0.41891(2) 0.03272(14) Uani 1 1 d . . . . .
Ag16 Ag 0.64810(2) 0.65503(4) 0.44853(2) 0.03486(14) Uani 1 1 d . . . . .
Ag17 Ag 0.66083(2) 0.55774(4) 0.36714(3) 0.04207(17) Uani 1 1 d . . . . .
S1 S 0.66006(5) 0.92511(14) 0.37181(10) 0.0513(6) Uani 1 1 d . . . . .
S2 S 0.58214(5) 0.98373(11) 0.31456(8) 0.0328(4) Uani 1 1 d . . . . .
S3 S 0.64540(5) 0.85476(14) 0.25272(9) 0.0429(5) Uani 1 1 d . . . . .
S4 S 0.60727(6) 0.74629(14) 0.15009(9) 0.0455(6) Uani 1 1 d . . . . .
S5 S 0.69560(5) 0.74836(12) 0.46397(8) 0.0368(5) Uani 1 1 d . . . . .
S6 S 0.68935(5) 0.67384(14) 0.34967(8) 0.0410(5) Uani 1 1 d . . . . .
S7 S 0.63924(7) 0.44490(14) 0.31470(10) 0.0567(7) Uani 1 1 d . . . . .
S8 S 0.63640(7) 0.56394(15) 0.22145(10) 0.0534(7) Uani 1 1 d . . . . .
S9 S 0.51788(5) 0.44828(10) 0.20758(7) 0.0289(4) Uani 1 1 d . . . . .
S10 S 0.59733(6) 0.47714(12) 0.42500(8) 0.0384(5) Uani 1 1 d . . . . .
S11 S 0.67719(6) 0.52988(13) 0.45974(10) 0.0532(7) Uani 1 1 d . . . . .
S12 S 0.60829(6) 0.68355(13) 0.49142(7) 0.0383(5) Uani 1 1 d . . . . .
S13 S 0.61999(6) 0.87292(14) 0.48024(9) 0.0458(6) Uani 1 1 d . . . . .
S14 S 0.51542(5) 0.59229(10) 0.12155(6) 0.0237(4) Uani 1 1 d . . . . .
S15 S 0.49943(4) 0.78047(10) 0.08862(6) 0.0230(4) Uani 1 1 d . . . . .
S16 S 0.56154(5) 0.95392(11) 0.15011(7) 0.0294(4) Uani 1 1 d . . . . .
S17 S 0.50059(4) 0.92271(10) 0.19468(7) 0.0233(4) Uani 1 1 d . . . . .
P1 P 0.62828(5) 1.00819(13) 0.35709(9) 0.0400(5) Uani 1 1 d . . . . .
P2 P 0.64054(6) 0.82489(16) 0.18359(11) 0.0495(7) Uani 1 1 d . . . . .
P3 P 0.71656(5) 0.71289(14) 0.41727(9) 0.0381(5) Uani 1 1 d . . . . .
P4 P 0.65056(6) 0.46587(14) 0.25486(10) 0.0465(6) Uani 1 1 d . . . . .
P5 P 0.500000 0.38809(14) 0.250000 0.0223(5) Uani 1 2 d S T P . .
P6 P 0.64321(7) 0.45430(15) 0.46020(11) 0.0617(9) Uani 1 1 d . . . . .
P7 P 0.62493(5) 0.78412(14) 0.52370(8) 0.0382(5) Uani 1 1 d . . . . .
P8 P 0.50585(5) 0.67445(10) 0.07035(7) 0.0226(4) Uani 1 1 d . . . . .
P9 P 0.51638(5) 0.97601(10) 0.14672(7) 0.0228(4) Uani 1 1 d . . . . .
O1 O 0.64082(16) 1.0780(4) 0.3352(3) 0.0538(17) Uani 1 1 d . . . . .
O2 O 0.62542(15) 1.0460(4) 0.4049(3) 0.0535(18) Uani 1 1 d . . . . .
O3 O 0.63572(18) 0.9014(5) 0.1546(3) 0.068(2) Uani 1 1 d . . . . .
O4 O 0.67450(17) 0.7966(5) 0.1838(3) 0.068(2) Uani 1 1 d D . . . .
O5 O 0.7390(2) 0.7750(5) 0.4096(3) 0.070(2) Uani 1 1 d D . . . .
O6 O 0.74118(14) 0.6494(4) 0.4481(2) 0.0473(16) Uani 1 1 d . . . . .
O7 O 0.63753(16) 0.3970(4) 0.2173(3) 0.0538(18) Uani 1 1 d . . . . .
O8 O 0.68793(17) 0.4547(5) 0.2653(3) 0.073(2) Uani 1 1 d D . . . .
O9 O 0.47439(12) 0.3287(3) 0.21691(18) 0.0269(11) Uani 1 1 d . . . . .
O10 O 0.6504(2) 0.3760(4) 0.4386(4) 0.101(4) Uani 1 1 d . . . . .
O11 O 0.6504(3) 0.4320(7) 0.5151(4) 0.131(5) Uani 1 1 d . . . . .
O12 O 0.60815(14) 0.7976(4) 0.5628(2) 0.0460(16) Uani 1 1 d . . . . .
O13 O 0.66184(15) 0.7782(4) 0.5590(2) 0.0527(17) Uani 1 1 d . . . . .
O14 O 0.53502(14) 0.6693(3) 0.0514(2) 0.0359(13) Uani 1 1 d D . . . .
O15 O 0.47389(13) 0.6559(3) 0.02425(18) 0.0299(12) Uani 1 1 d D . . . .
O16 O 0.51213(13) 1.0635(3) 0.15250(19) 0.0282(11) Uani 1 1 d . . . . .
O17 O 0.49344(12) 0.9622(3) 0.09143(19) 0.0275(11) Uani 1 1 d . . . . .
C1 C 0.6476(4) 1.0724(8) 0.2902(6) 0.086(4) Uani 1 1 d . . . . .
H1A H 0.628333 1.088607 0.261422 0.104 Uiso 1 1 calc R U . . .
H1B H 0.652403 1.019179 0.284724 0.104 Uiso 1 1 calc R U . . .
C2 C 0.6760(5) 1.1216(13) 0.2942(10) 0.171(10) Uani 1 1 d . . . . .
H2A H 0.695215 1.109683 0.324150 0.205 Uiso 1 1 calc R U . . .
H2B H 0.670740 1.176037 0.293929 0.205 Uiso 1 1 calc R U . . .
C3 C 0.6803(10) 1.096(2) 0.2455(13) 0.34(3) Uani 1 1 d . . . . .
H3A H 0.698553 1.123902 0.242012 0.516 Uiso 1 1 calc R U . . .
H3B H 0.684692 1.041929 0.246820 0.516 Uiso 1 1 calc R U . . .
H3C H 0.660506 1.107500 0.216956 0.516 Uiso 1 1 calc R U . . .
C4 C 0.6541(3) 1.0726(9) 0.4464(5) 0.087(4) Uani 1 1 d . . . . .
H4A H 0.670680 1.092606 0.434260 0.104 Uiso 1 1 calc R U . . .
H4B H 0.663745 1.031328 0.470411 0.104 Uiso 1 1 calc R U . . .
C5 C 0.6394(4) 1.1412(13) 0.4721(7) 0.163(9) Uani 1 1 d . . . . .
H5A H 0.631128 1.184225 0.448993 0.196 Uiso 1 1 calc R U . . .
H5B H 0.621902 1.122078 0.482494 0.196 Uiso 1 1 calc R U . . .
C6 C 0.6700(7) 1.164(2) 0.5179(11) 0.30(2) Uani 1 1 d . . . . .
H6A H 0.664327 1.204681 0.536279 0.447 Uiso 1 1 calc R U . . .
H6B H 0.677869 1.120147 0.539677 0.447 Uiso 1 1 calc R U . . .
H6C H 0.687014 1.181747 0.506470 0.447 Uiso 1 1 calc R U . . .
C7 C 0.6305(4) 0.9037(8) 0.1045(5) 0.099(5) Uani 1 1 d D . . . .
H7A H 0.607983 0.888645 0.084607 0.119 Uiso 1 1 calc R U . . .
H7B H 0.645412 0.868278 0.096982 0.119 Uiso 1 1 calc R U . . .
C8 C 0.6367(4) 0.9845(8) 0.0915(6) 0.106(5) Uani 1 1 d D . . . .
H8A H 0.632145 0.987291 0.055415 0.127 Uiso 1 1 calc R U . . .
H8B H 0.621369 1.018720 0.098780 0.127 Uiso 1 1 calc R U . . .
C9 C 0.6709(4) 1.0123(14) 0.1193(7) 0.181(11) Uani 1 1 d D . . . .
H9A H 0.680061 0.985823 0.151180 0.272 Uiso 1 1 calc R U . . .
H9B H 0.670440 1.066830 0.125247 0.272 Uiso 1 1 calc R U . . .
H9C H 0.684205 1.002421 0.099477 0.272 Uiso 1 1 calc R U . . .
C10 C 0.6849(6) 0.7218(18) 0.204(2) 0.099(7) Uani 0.5 1 d D . P A 1
H10A H 0.676757 0.683460 0.177764 0.119 Uiso 0.5 1 calc R U P A 1
H10B H 0.675526 0.710525 0.229868 0.119 Uiso 0.5 1 calc R U P A 1
C11 C 0.7220(6) 0.717(2) 0.2281(15) 0.126(8) Uani 0.5 1 d D . P A 1
H11A H 0.730094 0.755809 0.254278 0.152 Uiso 0.5 1 calc R U P A 1
H11B H 0.731285 0.727565 0.202444 0.152 Uiso 0.5 1 calc R U P A 1
C12 C 0.7339(9) 0.638(2) 0.2510(16) 0.143(9) Uani 0.5 1 d D . P A 1
H12A H 0.754611 0.643889 0.278817 0.214 Uiso 0.5 1 calc R U P A 1
H12B H 0.736622 0.605209 0.225763 0.214 Uiso 0.5 1 calc R U P A 1
H12C H 0.717833 0.616408 0.263057 0.214 Uiso 0.5 1 calc R U P A 1
C10B C 0.6919(8) 0.7308(18) 0.2108(19) 0.099(7) Uani 0.5 1 d D . P A 2
H10C H 0.676866 0.687868 0.207454 0.119 Uiso 0.5 1 calc R U P A 2
H10D H 0.702988 0.742579 0.246560 0.119 Uiso 0.5 1 calc R U P A 2
C11B C 0.7166(7) 0.712(2) 0.1864(14) 0.126(8) Uani 0.5 1 d D . P A 2
H11C H 0.722559 0.658521 0.194304 0.152 Uiso 0.5 1 calc R U P A 2
H11D H 0.736211 0.742113 0.204814 0.152 Uiso 0.5 1 calc R U P A 2
C12B C 0.7108(9) 0.722(2) 0.1298(14) 0.143(9) Uani 0.5 1 d D . P A 2
H12D H 0.694849 0.685029 0.110238 0.214 Uiso 0.5 1 calc R U P A 2
H12E H 0.731297 0.714327 0.124846 0.214 Uiso 0.5 1 calc R U P A 2
H12F H 0.702800 0.773332 0.119108 0.214 Uiso 0.5 1 calc R U P A 2
C13 C 0.7425(6) 0.8521(10) 0.4228(9) 0.070(4) Uani 0.5 1 d D . P B 1
H13A H 0.762920 0.857374 0.452033 0.084 Uiso 0.5 1 calc R U P B 1
H13B H 0.724608 0.865704 0.433821 0.084 Uiso 0.5 1 calc R U P B 1
C14 C 0.7432(9) 0.9117(13) 0.3842(10) 0.093(6) Uani 0.5 1 d D . P B 1
H14A H 0.722094 0.912945 0.356104 0.111 Uiso 0.5 1 calc R U P B 1
H14B H 0.760283 0.898999 0.371039 0.111 Uiso 0.5 1 calc R U P B 1
C15 C 0.7503(13) 0.9892(15) 0.4106(14) 0.099(9) Uani 0.5 1 d D . P B 1
H15A H 0.770892 0.986758 0.439065 0.149 Uiso 0.5 1 calc R U P B 1
H15B H 0.732824 1.002166 0.422232 0.149 Uiso 0.5 1 calc R U P B 1
H15C H 0.751763 1.028023 0.387315 0.149 Uiso 0.5 1 calc R U P B 1
C13B C 0.7298(5) 0.8301(12) 0.3759(9) 0.070(4) Uani 0.5 1 d D . P B 2
H13C H 0.706377 0.840895 0.365423 0.084 Uiso 0.5 1 calc R U P B 2
H13D H 0.735015 0.817754 0.346241 0.084 Uiso 0.5 1 calc R U P B 2
C14B C 0.7504(8) 0.8962(13) 0.4051(13) 0.093(6) Uani 0.5 1 d D . P B 2
H14C H 0.773266 0.884619 0.410793 0.111 Uiso 0.5 1 calc R U P B 2
H14D H 0.748396 0.897080 0.438096 0.111 Uiso 0.5 1 calc R U P B 2
C15B C 0.7434(13) 0.9763(16) 0.3837(15) 0.099(9) Uani 0.5 1 d D . P B 2
H15D H 0.738176 0.974464 0.347721 0.149 Uiso 0.5 1 calc R U P B 2
H15E H 0.762574 1.008097 0.399226 0.149 Uiso 0.5 1 calc R U P B 2
H15F H 0.725046 0.997594 0.390395 0.149 Uiso 0.5 1 calc R U P B 2
C16 C 0.7665(2) 0.6217(6) 0.4331(4) 0.055(2) Uani 1 1 d . . . . .
H16A H 0.782488 0.662159 0.436134 0.065 Uiso 1 1 calc R U . . .
H16B H 0.757334 0.605023 0.397987 0.065 Uiso 1 1 calc R U . . .
C17 C 0.7824(2) 0.5567(6) 0.4659(4) 0.058(3) Uani 1 1 d . . . . .
H17A H 0.802360 0.543370 0.460090 0.069 Uiso 1 1 calc R U . . .
H17B H 0.788830 0.572927 0.500941 0.069 Uiso 1 1 calc R U . . .
C18 C 0.7617(3) 0.4879(7) 0.4581(6) 0.087(4) Uani 1 1 d . . . . .
H18A H 0.741986 0.500199 0.464343 0.131 Uiso 1 1 calc R U . . .
H18B H 0.773692 0.448129 0.481140 0.131 Uiso 1 1 calc R U . . .
H18C H 0.755833 0.470156 0.423868 0.131 Uiso 1 1 calc R U . . .
C19 C 0.6030(2) 0.3855(7) 0.1939(4) 0.063(3) Uani 1 1 d . . . . .
H19A H 0.592704 0.429745 0.173192 0.076 Uiso 1 1 calc R U . . .
H19B H 0.593273 0.378496 0.219400 0.076 Uiso 1 1 calc R U . . .
C20 C 0.5982(3) 0.3157(7) 0.1622(4) 0.065(3) Uani 1 1 d . . . . .
H20A H 0.609201 0.322733 0.138342 0.078 Uiso 1 1 calc R U . . .
H20B H 0.574779 0.309006 0.142926 0.078 Uiso 1 1 calc R U . . .
C21 C 0.6113(4) 0.2444(7) 0.1927(5) 0.088(4) Uani 1 1 d . . . . .
H21A H 0.634883 0.248461 0.209146 0.131 Uiso 1 1 calc R U . . .
H21B H 0.605996 0.200267 0.170637 0.131 Uiso 1 1 calc R U . . .
H21C H 0.601472 0.238719 0.217731 0.131 Uiso 1 1 calc R U . . .
C22 C 0.7134(5) 0.4966(15) 0.2977(11) 0.089(5) Uani 0.5 1 d D . P C 1
H22A H 0.709825 0.507734 0.328816 0.107 Uiso 0.5 1 calc R U P C 1
H22B H 0.715997 0.544892 0.282203 0.107 Uiso 0.5 1 calc R U P C 1
C23 C 0.7452(9) 0.442(3) 0.3083(16) 0.126(10) Uani 0.5 1 d D . P C 1
H23A H 0.764156 0.463510 0.335069 0.152 Uiso 0.5 1 calc R U P C 1
H23B H 0.740832 0.391019 0.319198 0.152 Uiso 0.5 1 calc R U P C 1
C24 C 0.7526(8) 0.434(2) 0.2583(15) 0.134(9) Uani 0.5 1 d D . P C 1
H24A H 0.771476 0.401365 0.264379 0.201 Uiso 0.5 1 calc R U P C 1
H24B H 0.733755 0.411950 0.232071 0.201 Uiso 0.5 1 calc R U P C 1
H24C H 0.757014 0.484238 0.247897 0.201 Uiso 0.5 1 calc R U P C 1
C22B C 0.7062(6) 0.4017(14) 0.2998(9) 0.089(5) Uani 0.5 1 d D . P C 2
H22C H 0.697497 0.350391 0.289025 0.107 Uiso 0.5 1 calc R U P C 2
H22D H 0.704590 0.411891 0.332463 0.107 Uiso 0.5 1 calc R U P C 2
C23B C 0.7446(8) 0.406(2) 0.3051(19) 0.126(10) Uani 0.5 1 d D . P C 2
H23C H 0.759587 0.400502 0.340021 0.152 Uiso 0.5 1 calc R U P C 2
H23D H 0.749733 0.366888 0.284420 0.152 Uiso 0.5 1 calc R U P C 2
C24B C 0.7454(8) 0.489(2) 0.2842(17) 0.134(9) Uani 0.5 1 d D . P C 2
H24D H 0.767202 0.500545 0.284977 0.201 Uiso 0.5 1 calc R U P C 2
H24E H 0.729835 0.492895 0.249913 0.201 Uiso 0.5 1 calc R U P C 2
H24F H 0.739584 0.526154 0.304926 0.201 Uiso 0.5 1 calc R U P C 2
C25 C 0.4456(2) 0.3551(4) 0.1768(3) 0.0344(18) Uani 1 1 d . . . . .
H25A H 0.451976 0.385531 0.153097 0.041 Uiso 1 1 calc R U . . .
H25B H 0.432665 0.387604 0.190293 0.041 Uiso 1 1 calc R U . . .
C26 C 0.4258(2) 0.2888(5) 0.1505(3) 0.046(2) Uani 1 1 d . . . . .
H26A H 0.439556 0.254412 0.139678 0.055 Uiso 1 1 calc R U . . .
H26B H 0.407978 0.306837 0.120332 0.055 Uiso 1 1 calc R U . . .
C27 C 0.4115(3) 0.2450(7) 0.1828(5) 0.078(4) Uani 1 1 d . . . . .
H27A H 0.429037 0.226113 0.212361 0.117 Uiso 1 1 calc R U . . .
H27B H 0.398796 0.202312 0.163905 0.117 Uiso 1 1 calc R U . . .
H27C H 0.397430 0.278477 0.192953 0.117 Uiso 1 1 calc R U . . .
C28 C 0.6833(4) 0.3461(8) 0.4510(9) 0.146(8) Uani 1 1 d . . . . .
H28A H 0.690477 0.319705 0.483424 0.175 Uiso 1 1 calc R U . . .
H28B H 0.698626 0.387833 0.453126 0.175 Uiso 1 1 calc R U . . .
C29 C 0.6821(5) 0.2852(12) 0.4054(10) 0.184(10) Uani 1 1 d . . . . .
H29A H 0.666667 0.243775 0.403370 0.220 Uiso 1 1 calc R U . . .
H29B H 0.674680 0.311845 0.373032 0.220 Uiso 1 1 calc R U . . .
C30 C 0.7181(7) 0.251(2) 0.4174(17) 0.35(3) Uani 1 1 d . . . . .
H30A H 0.717595 0.215262 0.391008 0.522 Uiso 1 1 calc R U . . .
H30B H 0.733259 0.291881 0.419022 0.522 Uiso 1 1 calc R U . . .
H30C H 0.725268 0.223998 0.449277 0.522 Uiso 1 1 calc R U . . .
C31 C 0.6451(9) 0.4885(15) 0.5473(7) 0.291(19) Uani 1 1 d D . . D 1
H31A H 0.625860 0.517600 0.526216 0.349 Uiso 1 1 calc R U . D 1
H31B H 0.663692 0.523623 0.555704 0.349 Uiso 1 1 calc R U . D 1
C32 C 0.6400(5) 0.474(2) 0.5966(7) 0.251(17) Uani 1 1 d D . . D 1
H32A H 0.625914 0.511926 0.603721 0.301 Uiso 1 1 calc R U . D 1
H32B H 0.632240 0.422020 0.599089 0.301 Uiso 1 1 calc R U . D 1
C33 C 0.6756(4) 0.4850(14) 0.6267(7) 0.185(12) Uani 1 1 d D . . D 1
H33A H 0.688387 0.450263 0.614869 0.278 Uiso 1 1 calc R U . D 1
H33B H 0.679790 0.474830 0.661814 0.278 Uiso 1 1 calc R U . D 1
H33C H 0.681719 0.537293 0.622973 0.278 Uiso 1 1 calc R U . D 1
C34 C 0.5734(2) 0.8050(5) 0.5460(3) 0.0394(19) Uani 1 1 d . . . E 1
H34A H 0.564456 0.765083 0.561326 0.047 Uiso 1 1 calc R U . E 1
H34B H 0.563715 0.798972 0.509494 0.047 Uiso 1 1 calc R U . E 1
C35 C 0.5650(2) 0.8811(6) 0.5603(4) 0.052(2) Uani 1 1 d . . . E 1
H35A H 0.574982 0.920565 0.546263 0.062 Uiso 1 1 calc R U . E 1
H35B H 0.574170 0.885956 0.596902 0.062 Uiso 1 1 calc R U . E 1
C36 C 0.5287(3) 0.8939(6) 0.5419(4) 0.054(2) Uani 1 1 d . . . E 1
H36A H 0.519596 0.890367 0.505526 0.080 Uiso 1 1 calc R U . E 1
H36B H 0.524306 0.944169 0.552143 0.080 Uiso 1 1 calc R U . E 1
H36C H 0.518753 0.855323 0.556024 0.080 Uiso 1 1 calc R U . E 1
C37 C 0.6735(3) 0.7196(8) 0.5946(4) 0.075(3) Uani 1 1 d D . . F 1
H37A H 0.691241 0.691176 0.589377 0.090 Uiso 1 1 calc R U . F 1
H37B H 0.655965 0.683953 0.592954 0.090 Uiso 1 1 calc R U . F 1
C38 C 0.6861(4) 0.7618(10) 0.6449(4) 0.121(6) Uani 1 1 d D . . F 1
H38A H 0.703182 0.798242 0.645660 0.145 Uiso 1 1 calc R U . F 1
H38B H 0.668167 0.790025 0.649591 0.145 Uiso 1 1 calc R U . F 1
C39 C 0.6996(5) 0.7039(12) 0.6857(6) 0.167(10) Uani 1 1 d D . . F 1
H39A H 0.683053 0.665658 0.683001 0.250 Uiso 1 1 calc R U . F 1
H39B H 0.705980 0.728977 0.718119 0.250 Uiso 1 1 calc R U . F 1
H39C H 0.718584 0.679460 0.682567 0.250 Uiso 1 1 calc R U . F 1
C40 C 0.537(3) 0.725(3) 0.016(4) 0.052(3) Uani 0.6 1 d D . P G 1
H40A H 0.547422 0.771517 0.033583 0.062 Uiso 0.6 1 calc R U P G 1
H40B H 0.515297 0.737800 -0.007519 0.062 Uiso 0.6 1 calc R U P G 1
C41 C 0.5568(6) 0.6980(12) -0.0140(10) 0.067(5) Uani 0.6 1 d D . P G 1
H41A H 0.554912 0.734655 -0.040840 0.080 Uiso 0.6 1 calc R U P G 1
H41B H 0.548508 0.648555 -0.029466 0.080 Uiso 0.6 1 calc R U P G 1
C42 C 0.5925(5) 0.6903(12) 0.0205(8) 0.082(5) Uani 0.6 1 d D . P G 1
H42A H 0.602855 0.740156 0.025638 0.123 Uiso 0.6 1 calc R U P G 1
H42B H 0.603646 0.656238 0.005387 0.123 Uiso 0.6 1 calc R U P G 1
H42C H 0.593659 0.669649 0.052557 0.123 Uiso 0.6 1 calc R U P G 1
C40B C 0.539(5) 0.722(4) 0.015(5) 0.052(3) Uani 0.4 1 d D . P G 2
H40C H 0.553729 0.763311 0.031488 0.062 Uiso 0.4 1 calc R U P G 2
H40D H 0.517646 0.743231 -0.006182 0.062 Uiso 0.4 1 calc R U P G 2
C41B C 0.5527(10) 0.674(2) -0.0154(16) 0.067(5) Uani 0.4 1 d D . P G 2
H41C H 0.570152 0.641472 0.006899 0.080 Uiso 0.4 1 calc R U P G 2
H41D H 0.562159 0.707106 -0.034085 0.080 Uiso 0.4 1 calc R U P G 2
C42B C 0.5259(8) 0.6237(17) -0.0523(11) 0.082(5) Uani 0.4 1 d D . P G 2
H42D H 0.520750 0.581870 -0.034233 0.123 Uiso 0.4 1 calc R U P G 2
H42E H 0.533598 0.603290 -0.077497 0.123 Uiso 0.4 1 calc R U P G 2
H42F H 0.506389 0.654126 -0.068597 0.123 Uiso 0.4 1 calc R U P G 2
C43 C 0.4684(8) 0.5766(7) 0.0083(8) 0.029(6) Uani 0.6 1 d D . P H 1
H43A H 0.453796 0.552064 0.022741 0.034 Uiso 0.6 1 calc R U P H 1
H43B H 0.489161 0.548674 0.019591 0.034 Uiso 0.6 1 calc R U P H 1
C44 C 0.4532(4) 0.5756(10) -0.0474(6) 0.036(3) Uani 0.6 1 d D . P H 1
H44A H 0.433556 0.607668 -0.058104 0.043 Uiso 0.6 1 calc R U P H 1
H44B H 0.446378 0.523257 -0.058592 0.043 Uiso 0.6 1 calc R U P H 1
C45 C 0.4760(3) 0.6039(8) -0.0729(5) 0.038(3) Uani 0.6 1 d D . P H 1
H45A H 0.479783 0.658249 -0.066958 0.057 Uiso 0.6 1 calc R U P H 1
H45B H 0.466125 0.594496 -0.108742 0.057 Uiso 0.6 1 calc R U P H 1
H45C H 0.496731 0.576894 -0.059285 0.057 Uiso 0.6 1 calc R U P H 1
C43B C 0.4608(14) 0.5802(11) 0.0065(11) 0.029(6) Uani 0.4 1 d D . P H 2
H43C H 0.448305 0.561755 0.026410 0.034 Uiso 0.4 1 calc R U P H 2
H43D H 0.478989 0.544677 0.011494 0.034 Uiso 0.4 1 calc R U P H 2
C44B C 0.4393(6) 0.5812(13) -0.0474(10) 0.036(3) Uani 0.4 1 d D . P H 2
H44C H 0.452024 0.596289 -0.067786 0.043 Uiso 0.4 1 calc R U P H 2
H44D H 0.421685 0.618477 -0.052989 0.043 Uiso 0.4 1 calc R U P H 2
C45B C 0.4249(5) 0.5019(11) -0.0630(7) 0.038(3) Uani 0.4 1 d D . P H 2
H45D H 0.442375 0.465527 -0.058469 0.057 Uiso 0.4 1 calc R U P H 2
H45E H 0.410397 0.502693 -0.097999 0.057 Uiso 0.4 1 calc R U P H 2
H45F H 0.412573 0.486940 -0.042405 0.057 Uiso 0.4 1 calc R U P H 2
C46 C 0.5276(2) 1.1038(5) 0.1990(3) 0.041(2) Uani 1 1 d . . . . .
H46A H 0.550904 1.111034 0.205589 0.049 Uiso 1 1 calc R U . . .
H46B H 0.525365 1.074882 0.226827 0.049 Uiso 1 1 calc R U . . .
C47 C 0.5109(2) 1.1792(5) 0.1938(3) 0.043(2) Uani 1 1 d . . . . .
H47A H 0.520676 1.207442 0.225376 0.052 Uiso 1 1 calc R U . . .
H47B H 0.487785 1.170661 0.188192 0.052 Uiso 1 1 calc R U . . .
C48 C 0.5132(3) 1.2270(5) 0.1517(5) 0.067(3) Uani 1 1 d . . . . .
H48A H 0.535881 1.230672 0.154808 0.101 Uiso 1 1 calc R U . . .
H48B H 0.504742 1.277762 0.153311 0.101 Uiso 1 1 calc R U . . .
H48C H 0.500414 1.203508 0.119853 0.101 Uiso 1 1 calc R U . . .
C49 C 0.45825(19) 0.9588(5) 0.0759(3) 0.0361(18) Uani 1 1 d D . . . .
H49A H 0.452850 0.935652 0.103060 0.043 Uiso 1 1 calc R U . . .
H49B H 0.449723 0.925068 0.046681 0.043 Uiso 1 1 calc R U . . .
C50 C 0.4412(3) 1.0336(6) 0.0629(6) 0.111(6) Uani 1 1 d D . . . .
H50A H 0.417607 1.025133 0.052824 0.133 Uiso 1 1 calc R U . . .
H50B H 0.448210 1.065935 0.092943 0.133 Uiso 1 1 calc R U . . .
C51 C 0.4473(4) 1.0753(12) 0.0220(8) 0.211(13) Uani 1 1 d D . . . .
H51A H 0.444846 1.040408 -0.005492 0.316 Uiso 1 1 calc R U . . .
H51B H 0.469364 1.095799 0.034602 0.316 Uiso 1 1 calc R U . . .
H51C H 0.431711 1.116751 0.010165 0.316 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 0.0033 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
Ag7 Pt1 Ag8 64.404(18) . . ?
Ag7 Pt1 Ag2 64.039(18) . . ?
Ag8 Pt1 Ag2 120.20(2) . . ?
Ag7 Pt1 Ag3 66.195(18) . . ?
Ag8 Pt1 Ag3 67.041(18) . . ?
Ag2 Pt1 Ag3 65.991(18) . . ?
Ag7 Pt1 Ag10 117.183(16) . . ?
Ag8 Pt1 Ag10 116.11(2) . . ?
Ag2 Pt1 Ag10 113.00(2) . . ?
Ag3 Pt1 Ag10 175.961(17) . . ?
Ag7 Pt1 Ag11 66.517(18) . 2_655 ?
Ag8 Pt1 Ag11 63.09(2) . 2_655 ?
Ag2 Pt1 Ag11 117.93(2) . 2_655 ?
Ag3 Pt1 Ag11 121.79(2) . 2_655 ?
Ag10 Pt1 Ag11 62.233(17) . 2_655 ?
Ag7 Pt1 Ag6 116.50(2) . . ?
Ag8 Pt1 Ag6 178.130(19) . . ?
Ag2 Pt1 Ag6 61.461(19) . . ?
Ag3 Pt1 Ag6 114.783(19) . . ?
Ag10 Pt1 Ag6 62.052(18) . . ?
Ag11 Pt1 Ag6 115.555(19) 2_655 . ?
Ag7 Pt1 Ag4 117.030(19) . . ?
Ag8 Pt1 Ag4 63.382(19) . . ?
Ag2 Pt1 Ag4 119.87(2) . . ?
Ag3 Pt1 Ag4 62.792(19) . . ?
Ag10 Pt1 Ag4 115.827(19) . . ?
Ag11 Pt1 Ag4 114.70(2) 2_655 . ?
Ag6 Pt1 Ag4 116.84(2) . . ?
Ag7 Pt1 Ag1 118.45(2) . . ?
Ag8 Pt1 Ag1 117.74(2) . . ?
Ag2 Pt1 Ag1 66.325(19) . . ?
Ag3 Pt1 Ag1 61.80(2) . . ?
Ag10 Pt1 Ag1 114.159(18) . . ?
Ag11 Pt1 Ag1 174.991(19) 2_655 . ?
Ag6 Pt1 Ag1 63.486(18) . . ?
Ag4 Pt1 Ag1 63.079(19) . . ?
Ag7 Pt1 Ag5 179.58(2) . . ?
Ag8 Pt1 Ag5 115.914(19) . . ?
Ag2 Pt1 Ag5 115.548(18) . . ?
Ag3 Pt1 Ag5 113.626(18) . . ?
Ag10 Pt1 Ag5 62.979(13) . . ?
Ag11 Pt1 Ag5 113.846(19) 2_655 . ?
Ag6 Pt1 Ag5 63.191(17) . . ?
Ag4 Pt1 Ag5 63.064(17) . . ?
Ag1 Pt1 Ag5 61.188(18) . . ?
Ag7 Pt1 Ag9 118.660(18) . . ?
Ag8 Pt1 Ag9 63.828(19) . . ?
Ag2 Pt1 Ag9 175.820(19) . . ?
Ag3 Pt1 Ag9 117.782(18) . . ?
Ag10 Pt1 Ag9 63.102(19) . . ?
Ag11 Pt1 Ag9 62.182(17) 2_655 . ?
Ag6 Pt1 Ag9 114.497(19) . . ?
Ag4 Pt1 Ag9 62.366(19) . . ?
Ag1 Pt1 Ag9 113.361(19) . . ?
Ag5 Pt1 Ag9 61.756(16) . . ?
Ag7 Pt1 Ag12 61.448(18) . 2_655 ?
Ag8 Pt1 Ag12 112.96(2) . 2_655 ?
Ag2 Pt1 Ag12 63.511(19) . 2_655 ?
Ag3 Pt1 Ag12 118.41(2) . 2_655 ?
Ag10 Pt1 Ag12 63.277(17) . 2_655 ?
Ag11 Pt1 Ag12 61.088(19) 2_655 2_655 ?
Ag6 Pt1 Ag12 66.743(19) . 2_655 ?
Ag4 Pt1 Ag12 175.756(19) . 2_655 ?
Ag1 Pt1 Ag12 121.16(2) . 2_655 ?
Ag5 Pt1 Ag12 118.489(18) . 2_655 ?
Ag9 Pt1 Ag12 114.444(19) . 2_655 ?
S3 Ag1 Pt1 143.82(6) . . ?
S3 Ag1 Ag5 155.22(6) . . ?
Pt1 Ag1 Ag5 59.723(18) . . ?
S3 Ag1 Ag3 94.05(6) . . ?
Pt1 Ag1 Ag3 58.673(19) . . ?
Ag5 Ag1 Ag3 109.77(2) . . ?
S3 Ag1 Ag4 131.35(5) . . ?
Pt1 Ag1 Ag4 58.363(16) . . ?
Ag5 Ag1 Ag4 60.959(19) . . ?
Ag3 Ag1 Ag4 60.140(19) . . ?
S3 Ag1 Ag14 56.42(5) . . ?
Pt1 Ag1 Ag14 109.63(2) . . ?
Ag5 Ag1 Ag14 116.41(2) . . ?
Ag3 Ag1 Ag14 113.13(3) . . ?
Ag4 Ag1 Ag14 167.82(3) . . ?
S3 Ag1 Ag6 119.15(6) . . ?
Pt1 Ag1 Ag6 58.022(17) . . ?
Ag5 Ag1 Ag6 60.83(2) . . ?
Ag3 Ag1 Ag6 107.67(2) . . ?
Ag4 Ag1 Ag6 108.29(2) . . ?
Ag14 Ag1 Ag6 62.768(19) . . ?
S3 Ag1 Ag13 94.78(6) . . ?
Pt1 Ag1 Ag13 110.62(2) . . ?
Ag5 Ag1 Ag13 62.44(2) . . ?
Ag3 Ag1 Ag13 169.13(3) . . ?
Ag4 Ag1 Ag13 117.32(2) . . ?
Ag14 Ag1 Ag13 67.16(2) . . ?
Ag6 Ag1 Ag13 62.30(2) . . ?
S3 Ag1 Ag2 90.81(6) . . ?
Pt1 Ag1 Ag2 56.351(17) . . ?
Ag5 Ag1 Ag2 106.28(2) . . ?
Ag3 Ag1 Ag2 61.35(2) . . ?
Ag4 Ag1 Ag2 107.42(2) . . ?
Ag14 Ag1 Ag2 61.08(2) . . ?
Ag6 Ag1 Ag2 56.589(19) . . ?
Ag13 Ag1 Ag2 112.16(2) . . ?
S2 Ag2 Pt1 149.45(5) . . ?
S2 Ag2 Ag6 89.95(5) . . ?
Pt1 Ag2 Ag6 59.560(16) . . ?
S2 Ag2 Ag15 103.98(5) . . ?
Pt1 Ag2 Ag15 106.53(2) . . ?
Ag6 Ag2 Ag15 164.66(3) . . ?
S2 Ag2 Ag7 143.11(6) . . ?
Pt1 Ag2 Ag7 57.609(18) . . ?
Ag6 Ag2 Ag7 109.43(2) . . ?
Ag15 Ag2 Ag7 62.71(2) . . ?
S2 Ag2 Ag12 107.40(5) . 2_655 ?
Pt1 Ag2 Ag12 60.008(16) . 2_655 ?
Ag6 Ag2 Ag12 64.79(2) . 2_655 ?
Ag15 Ag2 Ag12 115.60(3) . 2_655 ?
Ag7 Ag2 Ag12 58.351(19) . 2_655 ?
S2 Ag2 Ag3 144.34(5) . . ?
Pt1 Ag2 Ag3 57.102(18) . . ?
Ag6 Ag2 Ag3 106.16(2) . . ?
Ag15 Ag2 Ag3 58.66(2) . . ?
Ag7 Ag2 Ag3 60.95(2) . . ?
Ag12 Ag2 Ag3 108.24(2) 2_655 . ?
S2 Ag2 Ag14 53.38(5) . . ?
Pt1 Ag2 Ag14 107.49(2) . . ?
Ag6 Ag2 Ag14 62.59(2) . . ?
Ag15 Ag2 Ag14 121.03(3) . . ?
Ag7 Ag2 Ag14 163.48(3) . . ?
Ag12 Ag2 Ag14 122.96(2) 2_655 . ?
Ag3 Ag2 Ag14 105.97(2) . . ?
S2 Ag2 Ag1 110.99(6) . . ?
Pt1 Ag2 Ag1 57.324(16) . . ?
Ag6 Ag2 Ag1 59.79(2) . . ?
Ag15 Ag2 Ag1 108.22(3) . . ?
Ag7 Ag2 Ag1 105.89(2) . . ?
Ag12 Ag2 Ag1 110.46(2) 2_655 . ?
Ag3 Ag2 Ag1 56.332(19) . . ?
Ag14 Ag2 Ag1 57.65(2) . . ?
S6 Ag3 Pt1 149.99(5) . . ?
S6 Ag3 Ag1 102.85(6) . . ?
Pt1 Ag3 Ag1 59.524(16) . . ?
S6 Ag3 Ag15 103.29(5) . . ?
Pt1 Ag3 Ag15 106.06(2) . . ?
Ag1 Ag3 Ag15 113.13(3) . . ?
S6 Ag3 Ag4 91.66(5) . . ?
Pt1 Ag3 Ag4 58.924(16) . . ?
Ag1 Ag3 Ag4 61.01(2) . . ?
Ag15 Ag3 Ag4 164.98(3) . . ?
S6 Ag3 Ag17 55.05(6) . . ?
Pt1 Ag3 Ag17 110.53(2) . . ?
Ag1 Ag3 Ag17 121.02(3) . . ?
Ag15 Ag3 Ag17 124.53(3) . . ?
Ag4 Ag3 Ag17 65.65(2) . . ?
S6 Ag3 Ag16 91.03(6) . . ?
Pt1 Ag3 Ag16 106.80(2) . . ?
Ag1 Ag3 Ag16 165.87(3) . . ?
Ag15 Ag3 Ag16 65.22(2) . . ?
Ag4 Ag3 Ag16 116.69(3) . . ?
Ag17 Ag3 Ag16 65.15(2) . . ?
S6 Ag3 Ag7 148.69(6) . . ?
Pt1 Ag3 Ag7 56.449(19) . . ?
Ag1 Ag3 Ag7 108.30(2) . . ?
Ag15 Ag3 Ag7 61.47(2) . . ?
Ag4 Ag3 Ag7 105.98(2) . . ?
Ag17 Ag3 Ag7 108.79(3) . . ?
Ag16 Ag3 Ag7 58.05(2) . . ?
S6 Ag3 Ag2 140.15(6) . . ?
Pt1 Ag3 Ag2 56.907(17) . . ?
Ag1 Ag3 Ag2 62.31(2) . . ?
Ag15 Ag3 Ag2 58.29(2) . . ?
Ag4 Ag3 Ag2 108.81(2) . . ?
Ag17 Ag3 Ag2 164.79(3) . . ?
Ag16 Ag3 Ag2 108.26(2) . . ?
Ag7 Ag3 Ag2 57.976(19) . . ?
S6 Ag3 Ag8 115.68(6) . . ?
Pt1 Ag3 Ag8 56.242(16) . . ?
Ag1 Ag3 Ag8 106.97(2) . . ?
Ag15 Ag3 Ag8 114.49(3) . . ?
Ag4 Ag3 Ag8 58.58(2) . . ?
Ag17 Ag3 Ag8 60.69(2) . . ?
Ag16 Ag3 Ag8 63.71(2) . . ?
Ag7 Ag3 Ag8 57.795(19) . . ?
Ag2 Ag3 Ag8 104.15(2) . . ?
S8 Ag4 Pt1 154.16(7) . . ?
S8 Ag4 Ag3 114.36(7) . . ?
Pt1 Ag4 Ag3 58.284(18) . . ?
S8 Ag4 Ag9 134.51(7) . . ?
Pt1 Ag4 Ag9 59.245(17) . . ?
Ag3 Ag4 Ag9 111.12(2) . . ?
S8 Ag4 Ag8 145.08(7) . . ?
Pt1 Ag4 Ag8 57.738(16) . . ?
Ag3 Ag4 Ag8 63.37(2) . . ?
Ag9 Ag4 Ag8 60.858(19) . . ?
S8 Ag4 Ag1 95.94(7) . . ?
Pt1 Ag4 Ag1 58.558(17) . . ?
Ag3 Ag4 Ag1 58.85(2) . . ?
Ag9 Ag4 Ag1 107.23(2) . . ?
Ag8 Ag4 Ag1 109.05(2) . . ?
S8 Ag4 Ag5 106.01(7) . . ?
Pt1 Ag4 Ag5 58.871(17) . . ?
Ag3 Ag4 Ag5 106.65(2) . . ?
Ag9 Ag4 Ag5 59.375(19) . . ?
Ag8 Ag4 Ag5 107.77(2) . . ?
Ag1 Ag4 Ag5 58.398(18) . . ?
S8 Ag4 Ag17 88.92(7) . . ?
Pt1 Ag4 Ag17 103.84(2) . . ?
Ag3 Ag4 Ag17 57.76(2) . . ?
Ag9 Ag4 Ag17 116.08(3) . . ?
Ag8 Ag4 Ag17 59.59(2) . . ?
Ag1 Ag4 Ag17 111.95(2) . . ?
Ag5 Ag4 Ag17 162.50(3) . . ?
S14 Ag5 Pt1 153.56(5) . . ?
S14 Ag5 Ag1 143.87(5) . . ?
Pt1 Ag5 Ag1 59.089(16) . . ?
S14 Ag5 Ag9 94.86(5) . . ?
Pt1 Ag5 Ag9 59.141(17) . . ?
Ag1 Ag5 Ag9 109.42(2) . . ?
S14 Ag5 Ag10 107.07(5) . . ?
Pt1 Ag5 Ag10 57.806(14) . . ?
Ag1 Ag5 Ag10 108.10(2) . . ?
Ag9 Ag5 Ag10 60.459(19) . . ?
S14 Ag5 Ag4 115.31(5) . . ?
Pt1 Ag5 Ag4 58.065(16) . . ?
Ag1 Ag5 Ag4 60.64(2) . . ?
Ag9 Ag5 Ag4 59.82(2) . . ?
Ag10 Ag5 Ag4 107.35(2) . . ?
S14 Ag5 Ag6 136.56(4) . . ?
Pt1 Ag5 Ag6 57.864(15) . . ?
Ag1 Ag5 Ag6 60.92(2) . . ?
Ag9 Ag5 Ag6 107.93(2) . . ?
Ag10 Ag5 Ag6 58.592(19) . . ?
Ag4 Ag5 Ag6 108.11(2) . . ?
S14 Ag5 Ag13 97.31(4) . . ?
Pt1 Ag5 Ag13 108.61(2) . . ?
Ag1 Ag5 Ag13 60.58(2) . . ?
Ag9 Ag5 Ag13 167.75(2) . . ?
Ag10 Ag5 Ag13 114.09(2) . . ?
Ag4 Ag5 Ag13 115.39(2) . . ?
Ag6 Ag5 Ag13 61.70(2) . . ?
S14 Ag5 Ag11 51.50(4) . . ?
Pt1 Ag5 Ag11 112.81(2) . . ?
Ag1 Ag5 Ag11 157.67(2) . . ?
Ag9 Ag5 Ag11 78.220(19) . . ?
Ag10 Ag5 Ag11 56.396(17) . . ?
Ag4 Ag5 Ag11 135.80(2) . . ?
Ag6 Ag5 Ag11 96.88(2) . . ?
Ag13 Ag5 Ag11 108.47(2) . . ?
S17 Ag6 Pt1 165.28(5) . . ?
S17 Ag6 Ag2 120.03(5) . . ?
Pt1 Ag6 Ag2 58.978(17) . . ?
S17 Ag6 Ag10 111.51(5) . . ?
Pt1 Ag6 Ag10 58.809(16) . . ?
Ag2 Ag6 Ag10 108.28(2) . . ?
S17 Ag6 Ag12 58.86(4) . . ?
Pt1 Ag6 Ag12 117.41(2) . . ?
Ag2 Ag6 Ag12 163.86(3) . . ?
Ag10 Ag6 Ag12 61.503(16) . . ?
S17 Ag6 Ag5 128.34(5) . . ?
Pt1 Ag6 Ag5 58.945(17) . . ?
Ag2 Ag6 Ag5 109.86(2) . . ?
Ag10 Ag6 Ag5 60.464(18) . . ?
Ag12 Ag6 Ag5 76.95(2) . . ?
S17 Ag6 Ag1 135.75(5) . . ?
Pt1 Ag6 Ag1 58.491(16) . . ?
Ag2 Ag6 Ag1 63.62(2) . . ?
Ag10 Ag6 Ag1 107.46(2) . . ?
Ag12 Ag6 Ag1 129.83(3) . . ?
Ag5 Ag6 Ag1 58.250(18) . . ?
S17 Ag6 Ag13 85.34(4) . . ?
Pt1 Ag6 Ag13 108.55(2) . . ?
Ag2 Ag6 Ag13 115.72(3) . . ?
Ag10 Ag6 Ag13 114.73(2) . . ?
Ag12 Ag6 Ag13 80.42(2) . . ?
Ag5 Ag6 Ag13 60.557(18) . . ?
Ag1 Ag6 Ag13 59.365(19) . . ?
S17 Ag6 Ag14 83.49(5) . . ?
Pt1 Ag6 Ag14 106.57(2) . . ?
Ag2 Ag6 Ag14 61.95(2) . . ?
Ag10 Ag6 Ag14 165.00(2) . . ?
Ag12 Ag6 Ag14 130.58(2) . . ?
Ag5 Ag6 Ag14 110.46(2) . . ?
Ag1 Ag6 Ag14 58.56(2) . . ?
Ag13 Ag6 Ag14 64.57(2) . . ?
S17 Ag6 Ag12 107.97(5) . 2_655 ?
Pt1 Ag6 Ag12 58.023(16) . 2_655 ?
Ag2 Ag6 Ag12 59.69(2) . 2_655 ?
Ag10 Ag6 Ag12 59.278(14) . 2_655 ?
Ag12 Ag6 Ag12 104.54(2) . 2_655 ?
Ag5 Ag6 Ag12 107.90(2) . 2_655 ?
Ag1 Ag6 Ag12 109.48(2) . 2_655 ?
Ag13 Ag6 Ag12 166.55(2) . 2_655 ?
Ag14 Ag6 Ag12 117.69(2) . 2_655 ?
S12 Ag7 Pt1 153.11(6) . . ?
S12 Ag7 Ag12 133.39(6) . 2_655 ?
Pt1 Ag7 Ag12 61.502(17) . 2_655 ?
S12 Ag7 Ag16 56.01(6) . . ?
Pt1 Ag7 Ag16 109.07(2) . . ?
Ag12 Ag7 Ag16 170.33(3) 2_655 . ?
S12 Ag7 Ag2 145.15(6) . . ?
Pt1 Ag7 Ag2 58.352(18) . . ?
Ag12 Ag7 Ag2 61.66(2) 2_655 . ?
Ag16 Ag7 Ag2 112.39(3) . . ?
S12 Ag7 Ag8 95.29(6) . . ?
Pt1 Ag7 Ag8 58.018(16) . . ?
Ag12 Ag7 Ag8 107.98(2) 2_655 . ?
Ag16 Ag7 Ag8 65.89(2) . . ?
Ag2 Ag7 Ag8 109.78(3) . . ?
S12 Ag7 Ag3 115.59(6) . . ?
Pt1 Ag7 Ag3 57.356(18) . . ?
Ag12 Ag7 Ag3 111.00(3) 2_655 . ?
Ag16 Ag7 Ag3 59.77(2) . . ?
Ag2 Ag7 Ag3 61.08(2) . . ?
Ag8 Ag7 Ag3 61.809(19) . . ?
S12 Ag7 Ag15 90.12(6) . . ?
Pt1 Ag7 Ag15 103.37(2) . . ?
Ag12 Ag7 Ag15 114.30(3) 2_655 . ?
Ag16 Ag7 Ag15 64.25(2) . . ?
Ag2 Ag7 Ag15 57.95(2) . . ?
Ag8 Ag7 Ag15 114.32(3) . . ?
Ag3 Ag7 Ag15 57.27(2) . . ?
S12 Ag7 Ag11 107.75(6) . 2_655 ?
Pt1 Ag7 Ag11 57.357(15) . 2_655 ?
Ag12 Ag7 Ag11 58.23(2) 2_655 2_655 ?
Ag16 Ag7 Ag11 119.73(3) . 2_655 ?
Ag2 Ag7 Ag11 106.01(2) . 2_655 ?
Ag8 Ag7 Ag11 58.14(2) . 2_655 ?
Ag3 Ag7 Ag11 106.86(2) . 2_655 ?
Ag15 Ag7 Ag11 160.72(3) . 2_655 ?
S10 Ag8 Pt1 156.63(6) . . ?
S10 Ag8 Ag11 98.17(6) . 2_655 ?
Pt1 Ag8 Ag11 58.887(16) . 2_655 ?
S10 Ag8 Ag4 141.00(6) . . ?
Pt1 Ag8 Ag4 58.880(17) . . ?
Ag11 Ag8 Ag4 107.67(2) 2_655 . ?
S10 Ag8 Ag7 110.04(6) . . ?
Pt1 Ag8 Ag7 57.578(18) . . ?
Ag11 Ag8 Ag7 62.650(19) 2_655 . ?
Ag4 Ag8 Ag7 107.68(2) . . ?
S10 Ag8 Ag9 115.28(6) . . ?
Pt1 Ag8 Ag9 59.067(16) . . ?
Ag11 Ag8 Ag9 59.292(19) 2_655 . ?
Ag4 Ag8 Ag9 59.38(2) . . ?
Ag7 Ag8 Ag9 108.90(2) . . ?
S10 Ag8 Ag17 94.22(6) . . ?
Pt1 Ag8 Ag17 108.33(2) . . ?
Ag11 Ag8 Ag17 166.73(3) 2_655 . ?
Ag4 Ag8 Ag17 64.29(2) . . ?
Ag7 Ag8 Ag17 108.50(2) . . ?
Ag9 Ag8 Ag17 119.03(3) . . ?
S10 Ag8 Ag3 138.27(6) . . ?
Pt1 Ag8 Ag3 56.717(18) . . ?
Ag11 Ag8 Ag3 109.24(2) 2_655 . ?
Ag4 Ag8 Ag3 58.049(18) . . ?
Ag7 Ag8 Ag3 60.40(2) . . ?
Ag9 Ag8 Ag3 105.76(2) . . ?
Ag17 Ag8 Ag3 57.75(2) . . ?
S10 Ag8 Ag16 83.79(5) . . ?
Pt1 Ag8 Ag16 101.35(2) . . ?
Ag11 Ag8 Ag16 115.16(2) 2_655 . ?
Ag4 Ag8 Ag16 109.63(3) . . ?
Ag7 Ag8 Ag16 56.425(19) . . ?
Ag9 Ag8 Ag16 160.20(2) . . ?
Ag17 Ag8 Ag16 61.42(2) . . ?
Ag3 Ag8 Ag16 56.44(2) . . ?
S9 Ag9 Pt1 159.12(5) . . ?
S9 Ag9 Ag5 100.24(5) . . ?
Pt1 Ag9 Ag5 59.102(17) . . ?
S9 Ag9 Ag11 139.39(5) . 2_655 ?
Pt1 Ag9 Ag11 58.336(16) . 2_655 ?
Ag5 Ag9 Ag11 108.45(2) . 2_655 ?
S9 Ag9 Ag4 110.78(5) . . ?
Pt1 Ag9 Ag4 58.390(16) . . ?
Ag5 Ag9 Ag4 60.805(18) . . ?
Ag11 Ag9 Ag4 108.16(2) 2_655 . ?
S9 Ag9 Ag10 116.92(5) . . ?
Pt1 Ag9 Ag10 57.727(16) . . ?
Ag5 Ag9 Ag10 60.262(16) . . ?
Ag11 Ag9 Ag10 59.154(15) 2_655 . ?
Ag4 Ag9 Ag10 107.97(2) . . ?
S9 Ag9 Ag8 136.21(5) . . ?
Pt1 Ag9 Ag8 57.105(15) . . ?
Ag5 Ag9 Ag8 108.03(2) . . ?
Ag11 Ag9 Ag8 59.52(2) 2_655 . ?
Ag4 Ag9 Ag8 59.76(2) . . ?
Ag10 Ag9 Ag8 106.10(2) . . ?
S9 Ag9 Ag9 72.42(5) . 2_655 ?
Pt1 Ag9 Ag9 111.237(13) . 2_655 ?
Ag5 Ag9 Ag9 98.543(19) . 2_655 ?
Ag11 Ag9 Ag9 75.34(2) 2_655 2_655 ?
Ag4 Ag9 Ag9 159.28(2) . 2_655 ?
Ag10 Ag9 Ag9 55.431(14) . 2_655 ?
Ag8 Ag9 Ag9 132.67(3) . 2_655 ?
Pt1 Ag10 Pt1 175.01(3) 2_655 . ?
Pt1 Ag10 Ag6 116.42(2) 2_655 . ?
Pt1 Ag10 Ag6 59.139(15) . . ?
Pt1 Ag10 Ag6 59.137(15) 2_655 2_655 ?
Pt1 Ag10 Ag6 116.42(2) . 2_655 ?
Ag6 Ag10 Ag6 77.11(3) . 2_655 ?
Pt1 Ag10 Ag11 59.044(13) 2_655 . ?
Pt1 Ag10 Ag11 123.238(15) . . ?
Ag6 Ag10 Ag11 104.947(18) . . ?
Ag6 Ag10 Ag11 110.367(17) 2_655 . ?
Pt1 Ag10 Ag11 123.233(15) 2_655 2_655 ?
Pt1 Ag10 Ag11 59.045(13) . 2_655 ?
Ag6 Ag10 Ag11 110.368(18) . 2_655 ?
Ag6 Ag10 Ag11 104.943(17) 2_655 2_655 ?
Ag11 Ag10 Ag11 134.41(3) . 2_655 ?
Pt1 Ag10 Ag5 121.528(15) 2_655 . ?
Pt1 Ag10 Ag5 59.215(15) . . ?
Ag6 Ag10 Ag5 60.944(17) . . ?
Ag6 Ag10 Ag5 133.22(2) 2_655 . ?
Ag11 Ag10 Ag5 65.732(18) . . ?
Ag11 Ag10 Ag5 108.21(2) 2_655 . ?
Pt1 Ag10 Ag5 59.213(15) 2_655 2_655 ?
Pt1 Ag10 Ag5 121.526(15) . 2_655 ?
Ag6 Ag10 Ag5 133.22(2) . 2_655 ?
Ag6 Ag10 Ag5 60.941(17) 2_655 2_655 ?
Ag11 Ag10 Ag5 108.202(19) . 2_655 ?
Ag11 Ag10 Ag5 65.728(18) 2_655 2_655 ?
Ag5 Ag10 Ag5 165.37(3) . 2_655 ?
Pt1 Ag10 Ag9 59.174(14) 2_655 2_655 ?
Pt1 Ag10 Ag9 125.74(2) . 2_655 ?
Ag6 Ag10 Ag9 164.664(15) . 2_655 ?
Ag6 Ag10 Ag9 108.874(18) 2_655 2_655 ?
Ag11 Ag10 Ag9 59.839(17) . 2_655 ?
Ag11 Ag10 Ag9 82.20(2) 2_655 2_655 ?
Ag5 Ag10 Ag9 107.53(2) . 2_655 ?
Ag5 Ag10 Ag9 59.281(17) 2_655 2_655 ?
Pt1 Ag10 Ag9 125.74(2) 2_655 . ?
Pt1 Ag10 Ag9 59.171(14) . . ?
Ag6 Ag10 Ag9 108.873(19) . . ?
Ag6 Ag10 Ag9 164.662(15) 2_655 . ?
Ag11 Ag10 Ag9 82.20(2) . . ?
Ag11 Ag10 Ag9 59.841(18) 2_655 . ?
Ag5 Ag10 Ag9 59.279(17) . . ?
Ag5 Ag10 Ag9 107.53(2) 2_655 . ?
Ag9 Ag10 Ag9 69.14(3) 2_655 . ?
Pt1 Ag10 Ag12 116.637(19) 2_655 2_655 ?
Pt1 Ag10 Ag12 60.013(13) . 2_655 ?
Ag6 Ag10 Ag12 64.54(2) . 2_655 ?
Ag6 Ag10 Ag12 60.360(19) 2_655 2_655 ?
Ag11 Ag10 Ag12 166.55(3) . 2_655 ?
Ag11 Ag10 Ag12 59.031(18) 2_655 2_655 ?
Ag5 Ag10 Ag12 112.415(19) . 2_655 ?
Ag5 Ag10 Ag12 76.654(18) 2_655 2_655 ?
Ag9 Ag10 Ag12 130.783(17) 2_655 2_655 ?
Ag9 Ag10 Ag12 108.675(16) . 2_655 ?
Pt1 Ag10 Ag12 60.017(13) 2_655 . ?
Pt1 Ag10 Ag12 116.636(19) . . ?
Ag6 Ag10 Ag12 60.358(19) . . ?
Ag6 Ag10 Ag12 64.54(2) 2_655 . ?
Ag11 Ag10 Ag12 59.032(18) . . ?
Ag11 Ag10 Ag12 166.54(3) 2_655 . ?
Ag5 Ag10 Ag12 76.652(17) . . ?
Ag5 Ag10 Ag12 112.417(19) 2_655 . ?
Ag9 Ag10 Ag12 108.678(16) 2_655 . ?
Ag9 Ag10 Ag12 130.782(17) . . ?
Ag12 Ag10 Ag12 107.54(3) 2_655 . ?
S14 Ag11 Pt1 165.05(5) . 2_655 ?
S14 Ag11 Ag10 109.49(5) . . ?
Pt1 Ag11 Ag10 58.722(15) 2_655 . ?
S14 Ag11 Ag12 106.16(5) . . ?
Pt1 Ag11 Ag12 61.020(16) 2_655 . ?
Ag10 Ag11 Ag12 62.08(2) . . ?
S14 Ag11 Ag9 125.24(4) . 2_655 ?
Pt1 Ag11 Ag9 59.486(17) 2_655 2_655 ?
Ag10 Ag11 Ag9 61.00(2) . 2_655 ?
Ag12 Ag11 Ag9 112.11(2) . 2_655 ?
S14 Ag11 Ag8 136.82(5) . 2_655 ?
Pt1 Ag11 Ag8 58.029(17) 2_655 2_655 ?
Ag10 Ag11 Ag8 108.86(2) . 2_655 ?
Ag12 Ag11 Ag8 108.80(2) . 2_655 ?
Ag9 Ag11 Ag8 61.197(18) 2_655 2_655 ?
S14 Ag11 Ag7 125.65(4) . 2_655 ?
Pt1 Ag11 Ag7 56.129(18) 2_655 2_655 ?
Ag10 Ag11 Ag7 105.81(2) . 2_655 ?
Ag12 Ag11 Ag7 58.120(19) . 2_655 ?
Ag9 Ag11 Ag7 107.70(2) 2_655 2_655 ?
Ag8 Ag11 Ag7 59.21(2) 2_655 2_655 ?
S14 Ag11 Ag5 52.47(4) . . ?
Pt1 Ag11 Ag5 113.81(2) 2_655 . ?
Ag10 Ag11 Ag5 57.872(13) . . ?
Ag12 Ag11 Ag5 74.481(19) . . ?
Ag9 Ag11 Ag5 102.67(2) 2_655 . ?
Ag8 Ag11 Ag5 163.78(2) 2_655 . ?
Ag7 Ag11 Ag5 130.38(2) 2_655 . ?
S17 Ag12 S15 92.81(6) . . ?
S17 Ag12 Ag7 139.97(4) . 2_655 ?
S15 Ag12 Ag7 92.34(4) . 2_655 ?
S17 Ag12 Pt1 129.36(4) . 2_655 ?
S15 Ag12 Pt1 137.83(4) . 2_655 ?
Ag7 Ag12 Pt1 57.048(18) 2_655 2_655 ?
S17 Ag12 Ag11 156.37(4) . . ?
S15 Ag12 Ag11 83.65(4) . . ?
Ag7 Ag12 Ag11 63.649(19) 2_655 . ?
Pt1 Ag12 Ag11 57.893(16) 2_655 . ?
S17 Ag12 Ag6 53.55(4) . . ?
S15 Ag12 Ag6 92.48(4) . . ?
Ag7 Ag12 Ag6 165.29(2) 2_655 . ?
Pt1 Ag12 Ag6 111.28(2) 2_655 . ?
Ag11 Ag12 Ag6 103.13(2) . . ?
S17 Ag12 Ag10 104.09(4) . . ?
S15 Ag12 Ag10 119.60(4) . . ?
Ag7 Ag12 Ag10 107.58(2) 2_655 . ?
Pt1 Ag12 Ag10 56.708(14) 2_655 . ?
Ag11 Ag12 Ag10 58.887(19) . . ?
Ag6 Ag12 Ag10 58.139(17) . . ?
S17 Ag12 Ag2 89.96(4) . 2_655 ?
S15 Ag12 Ag2 135.82(4) . 2_655 ?
Ag7 Ag12 Ag2 59.98(2) 2_655 2_655 ?
Pt1 Ag12 Ag2 56.477(18) 2_655 2_655 ?
Ag11 Ag12 Ag2 108.85(2) . 2_655 ?
Ag6 Ag12 Ag2 123.32(3) . 2_655 ?
Ag10 Ag12 Ag2 102.26(2) . 2_655 ?
S17 Ag12 Ag6 74.88(4) . 2_655 ?
S15 Ag12 Ag6 164.24(4) . 2_655 ?
Ag7 Ag12 Ag6 103.42(2) 2_655 2_655 ?
Pt1 Ag12 Ag6 55.230(15) 2_655 2_655 ?
Ag11 Ag12 Ag6 103.61(2) . 2_655 ?
Ag6 Ag12 Ag6 72.35(2) . 2_655 ?
Ag10 Ag12 Ag6 56.181(17) . 2_655 ?
Ag2 Ag12 Ag6 55.515(18) 2_655 2_655 ?
S4 Ag13 S15 125.95(8) . . ?
S4 Ag13 S16 110.16(7) . . ?
S15 Ag13 S16 105.17(6) . . ?
S4 Ag13 Ag1 65.66(6) . . ?
S15 Ag13 Ag1 139.30(5) . . ?
S16 Ag13 Ag1 105.09(5) . . ?
S4 Ag13 Ag5 87.34(6) . . ?
S15 Ag13 Ag5 83.27(4) . . ?
S16 Ag13 Ag5 148.09(5) . . ?
Ag1 Ag13 Ag5 56.975(19) . . ?
S4 Ag13 Ag6 123.62(6) . . ?
S15 Ag13 Ag6 94.87(5) . . ?
S16 Ag13 Ag6 90.58(5) . . ?
Ag1 Ag13 Ag6 58.34(2) . . ?
Ag5 Ag13 Ag6 57.747(18) . . ?
S4 Ag13 Ag14 96.17(7) . . ?
S15 Ag13 Ag14 137.82(5) . . ?
S16 Ag13 Ag14 50.29(5) . . ?
Ag1 Ag13 Ag14 55.90(2) . . ?
Ag5 Ag13 Ag14 103.01(2) . . ?
Ag6 Ag13 Ag14 57.75(2) . . ?
S2 Ag14 S16 126.47(7) . . ?
S2 Ag14 S3 120.31(8) . . ?
S16 Ag14 S3 109.04(7) . . ?
S2 Ag14 Ag1 116.02(5) . . ?
S16 Ag14 Ag1 107.68(5) . . ?
S3 Ag14 Ag1 56.03(5) . . ?
S2 Ag14 Ag2 54.80(5) . . ?
S16 Ag14 Ag2 146.87(5) . . ?
S3 Ag14 Ag2 90.70(5) . . ?
Ag1 Ag14 Ag2 61.26(2) . . ?
S2 Ag14 Ag6 86.09(5) . . ?
S16 Ag14 Ag6 91.66(5) . . ?
S3 Ag14 Ag6 114.66(6) . . ?
Ag1 Ag14 Ag6 58.672(19) . . ?
Ag2 Ag14 Ag6 55.461(18) . . ?
S2 Ag14 Ag13 142.01(5) . . ?
S16 Ag14 Ag13 51.89(5) . . ?
S3 Ag14 Ag13 87.99(6) . . ?
Ag1 Ag14 Ag13 56.94(2) . . ?
Ag2 Ag14 Ag13 104.61(2) . . ?
Ag6 Ag14 Ag13 57.684(19) . . ?
S13 Ag15 S1 115.30(9) . . ?
S13 Ag15 S5 110.32(8) . . ?
S1 Ag15 S5 104.63(8) . . ?
S13 Ag15 Ag2 98.87(6) . . ?
S1 Ag15 Ag2 77.45(6) . . ?
S5 Ag15 Ag2 145.61(5) . . ?
S13 Ag15 Ag3 138.82(6) . . ?
S1 Ag15 Ag3 97.34(7) . . ?
S5 Ag15 Ag3 82.81(5) . . ?
Ag2 Ag15 Ag3 63.04(2) . . ?
S13 Ag15 Ag7 77.61(6) . . ?
S1 Ag15 Ag7 136.63(6) . . ?
S5 Ag15 Ag7 108.87(6) . . ?
Ag2 Ag15 Ag7 59.34(2) . . ?
Ag3 Ag15 Ag7 61.26(2) . . ?
S13 Ag15 Ag16 97.83(6) . . ?
S1 Ag15 Ag16 145.87(7) . . ?
S5 Ag15 Ag16 52.98(5) . . ?
Ag2 Ag15 Ag16 106.54(2) . . ?
Ag3 Ag15 Ag16 58.20(2) . . ?
Ag7 Ag15 Ag16 55.90(2) . . ?
S11 Ag16 S12 121.56(9) . . ?
S11 Ag16 S5 101.03(8) . . ?
S12 Ag16 S5 117.12(7) . . ?
S11 Ag16 Ag7 142.36(6) . . ?
S12 Ag16 Ag7 55.93(5) . . ?
S5 Ag16 Ag7 112.95(5) . . ?
S11 Ag16 Ag3 109.50(7) . . ?
S12 Ag16 Ag3 117.90(5) . . ?
S5 Ag16 Ag3 81.85(5) . . ?
Ag7 Ag16 Ag3 62.18(2) . . ?
S11 Ag16 Ag15 149.65(8) . . ?
S12 Ag16 Ag15 87.34(6) . . ?
S5 Ag16 Ag15 53.10(5) . . ?
Ag7 Ag16 Ag15 59.86(2) . . ?
Ag3 Ag16 Ag15 56.580(19) . . ?
S11 Ag16 Ag17 52.37(7) . . ?
S12 Ag16 Ag17 145.29(6) . . ?
S5 Ag16 Ag17 96.87(5) . . ?
Ag7 Ag16 Ag17 105.93(3) . . ?
Ag3 Ag16 Ag17 57.33(2) . . ?
Ag15 Ag16 Ag17 109.65(3) . . ?
S11 Ag16 Ag8 85.82(5) . . ?
S12 Ag16 Ag8 89.83(5) . . ?
S5 Ag16 Ag8 140.88(6) . . ?
Ag7 Ag16 Ag8 57.68(2) . . ?
Ag3 Ag16 Ag8 59.84(2) . . ?
Ag15 Ag16 Ag8 104.80(2) . . ?
Ag17 Ag16 Ag8 57.14(2) . . ?
S7 Ag17 S11 112.61(9) . . ?
S7 Ag17 S6 129.31(9) . . ?
S11 Ag17 S6 113.06(8) . . ?
S7 Ag17 Ag3 124.39(7) . . ?
S11 Ag17 Ag3 108.78(6) . . ?
S6 Ag17 Ag3 56.39(5) . . ?
S7 Ag17 Ag8 84.15(8) . . ?
S11 Ag17 Ag8 88.22(7) . . ?
S6 Ag17 Ag8 117.89(5) . . ?
Ag3 Ag17 Ag8 61.56(2) . . ?
S7 Ag17 Ag4 68.13(7) . . ?
S11 Ag17 Ag4 144.34(7) . . ?
S6 Ag17 Ag4 86.68(5) . . ?
Ag3 Ag17 Ag4 56.587(19) . . ?
Ag8 Ag17 Ag4 56.12(2) . . ?
S7 Ag17 Ag16 140.13(8) . . ?
S11 Ag17 Ag16 51.46(6) . . ?
S6 Ag17 Ag16 86.97(6) . . ?
Ag3 Ag17 Ag16 57.52(2) . . ?
Ag8 Ag17 Ag16 61.44(2) . . ?
Ag4 Ag17 Ag16 103.56(3) . . ?
P1 S1 Ag15 108.16(13) . . ?
P1 S2 Ag14 100.24(12) . . ?
P1 S2 Ag2 95.68(10) . . ?
Ag14 S2 Ag2 71.82(6) . . ?
P2 S3 Ag1 88.78(11) . . ?
P2 S3 Ag14 103.78(11) . . ?
Ag1 S3 Ag14 67.55(5) . . ?
P2 S4 Ag13 102.07(12) . . ?
P3 S5 Ag16 103.60(11) . . ?
P3 S5 Ag15 112.15(11) . . ?
Ag16 S5 Ag15 73.92(6) . . ?
P3 S6 Ag17 104.34(12) . . ?
P3 S6 Ag3 100.75(11) . . ?
Ag17 S6 Ag3 68.56(6) . . ?
P4 S7 Ag17 102.52(14) . . ?
P4 S8 Ag4 95.16(13) . . ?
P5 S9 Ag9 97.09(9) . . ?
P6 S10 Ag8 108.70(13) . . ?
P6 S11 Ag16 103.48(14) . . ?
P6 S11 Ag17 102.10(12) . . ?
Ag16 S11 Ag17 76.18(7) . . ?
P7 S12 Ag7 99.69(11) . . ?
P7 S12 Ag16 101.42(11) . . ?
Ag7 S12 Ag16 68.06(6) . . ?
P7 S13 Ag15 101.76(11) . . ?
P8 S14 Ag11 96.27(9) . . ?
P8 S14 Ag5 99.96(9) . . ?
Ag11 S14 Ag5 76.03(5) . . ?
P8 S15 Ag13 99.28(9) . . ?
P8 S15 Ag12 112.62(9) . . ?
Ag13 S15 Ag12 92.19(6) . . ?
P9 S16 Ag14 102.09(9) . . ?
P9 S16 Ag13 95.86(9) . . ?
Ag14 S16 Ag13 77.82(6) . . ?
P9 S17 Ag6 113.09(9) . . ?
P9 S17 Ag12 113.81(10) . . ?
Ag6 S17 Ag12 67.58(5) . . ?
O1 P1 O2 100.0(4) . . ?
O1 P1 S1 109.8(3) . . ?
O2 P1 S1 114.0(3) . . ?
O1 P1 S2 110.7(3) . . ?
O2 P1 S2 103.6(3) . . ?
S1 P1 S2 117.31(14) . . ?
O3 P2 O4 102.5(4) . . ?
O3 P2 S4 114.2(3) . . ?
O4 P2 S4 108.3(4) . . ?
O3 P2 S3 104.5(4) . . ?
O4 P2 S3 109.1(3) . . ?
S4 P2 S3 117.18(14) . . ?
O5 P3 O6 103.6(4) . . ?
O5 P3 S5 110.9(3) . . ?
O6 P3 S5 103.7(3) . . ?
O5 P3 S6 106.9(3) . . ?
O6 P3 S6 110.3(3) . . ?
S5 P3 S6 120.23(13) . . ?
O8 P4 O7 97.3(4) . . ?
O8 P4 S8 109.0(4) . . ?
O7 P4 S8 111.6(3) . . ?
O8 P4 S7 112.8(4) . . ?
O7 P4 S7 107.7(3) . . ?
S8 P4 S7 116.73(15) . . ?
O9 P5 O9 97.0(4) . 2_655 ?
O9 P5 S9 109.90(19) . . ?
O9 P5 S9 111.4(2) 2_655 . ?
O9 P5 S9 111.5(2) . 2_655 ?
O9 P5 S9 109.91(19) 2_655 2_655 ?
S9 P5 S9 115.58(16) . 2_655 ?
O11 P6 O10 100.7(7) . . ?
O11 P6 S10 111.7(6) . . ?
O10 P6 S10 107.1(3) . . ?
O11 P6 S11 107.5(4) . . ?
O10 P6 S11 108.3(4) . . ?
S10 P6 S11 119.84(15) . . ?
O13 P7 O12 101.3(3) . . ?
O13 P7 S13 108.1(3) . . ?
O12 P7 S13 111.4(3) . . ?
O13 P7 S12 110.9(3) . . ?
O12 P7 S12 106.0(3) . . ?
S13 P7 S12 118.03(14) . . ?
O14 P8 O15 106.8(3) . . ?
O14 P8 S15 111.1(2) . . ?
O15 P8 S15 104.3(2) . . ?
O14 P8 S14 103.6(2) . . ?
O15 P8 S14 110.7(2) . . ?
S15 P8 S14 119.75(11) . . ?
O17 P9 O16 101.7(3) . . ?
O17 P9 S17 111.8(2) . . ?
O16 P9 S17 107.6(2) . . ?
O17 P9 S16 106.4(2) . . ?
O16 P9 S16 110.0(2) . . ?
S17 P9 S16 118.12(11) . . ?
C1 O1 P1 121.9(7) . . ?
C4 O2 P1 121.7(8) . . ?
C7 O3 P2 121.6(9) . . ?
C10B O4 P2 124.6(14) . . ?
C10 O4 P2 116.4(15) . . ?
C13B O5 P3 125.7(11) . . ?
C13 O5 P3 131.3(11) . . ?
C16 O6 P3 121.7(6) . . ?
C19 O7 P4 119.0(6) . . ?
C22 O8 P4 126.7(12) . . ?
C22B O8 P4 120.9(13) . . ?
C25 O9 P5 119.7(4) . . ?
C28 O10 P6 122.6(9) . . ?
C31 O11 P6 117.7(12) . . ?
C34 O12 P7 119.9(5) . . ?
C37 O13 P7 122.2(7) . . ?
C40B O14 P8 123(4) . . ?
C40 O14 P8 119(3) . . ?
C43 O15 P8 117.2(10) . . ?
C43B O15 P8 126.7(16) . . ?
C46 O16 P9 123.1(5) . . ?
C49 O17 P9 122.7(5) . . ?
O1 C1 C2 109.6(14) . . ?
O1 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
O1 C1 H1B 109.7 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
C1 C2 C3 98(2) . . ?
C1 C2 H2A 112.1 . . ?
C3 C2 H2A 112.1 . . ?
C1 C2 H2B 112.1 . . ?
C3 C2 H2B 112.1 . . ?
H2A C2 H2B 109.7 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C4 C5 103.4(10) . . ?
O2 C4 H4A 111.1 . . ?
C5 C4 H4A 111.1 . . ?
O2 C4 H4B 111.1 . . ?
C5 C4 H4B 111.1 . . ?
H4A C4 H4B 109.0 . . ?
C6 C5 C4 101.9(18) . . ?
C6 C5 H5A 111.4 . . ?
C4 C5 H5A 111.4 . . ?
C6 C5 H5B 111.4 . . ?
C4 C5 H5B 111.4 . . ?
H5A C5 H5B 109.3 . . ?
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 . . ?
O3 C7 C8 108.0(11) . . ?
O3 C7 H7A 110.1 . . ?
C8 C7 H7A 110.1 . . ?
O3 C7 H7B 110.1 . . ?
C8 C7 H7B 110.1 . . ?
H7A C7 H7B 108.4 . . ?
C9 C8 C7 114.2(14) . . ?
C9 C8 H8A 108.7 . . ?
C7 C8 H8A 108.7 . . ?
C9 C8 H8B 108.7 . . ?
C7 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O4 C10 C11 111(2) . . ?
O4 C10 H10A 109.4 . . ?
C11 C10 H10A 109.4 . . ?
O4 C10 H10B 109.4 . . ?
C11 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C12 113(2) . . ?
C10 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O4 C10B C11B 104(2) . . ?
O4 C10B H10C 110.9 . . ?
C11B C10B H10C 110.9 . . ?
O4 C10B H10D 110.9 . . ?
C11B C10B H10D 110.9 . . ?
H10C C10B H10D 108.9 . . ?
C10B C11B C12B 126(3) . . ?
C10B C11B H11C 105.9 . . ?
C12B C11B H11C 105.9 . . ?
C10B C11B H11D 105.9 . . ?
C12B C11B H11D 105.9 . . ?
H11C C11B H11D 106.2 . . ?
C11B C12B H12D 109.5 . . ?
C11B C12B H12E 109.5 . . ?
H12D C12B H12E 109.5 . . ?
C11B C12B H12F 109.5 . . ?
H12D C12B H12F 109.5 . . ?
H12E C12B H12F 109.5 . . ?
O5 C13 C14 119.6(18) . . ?
O5 C13 H13A 107.4 . . ?
C14 C13 H13A 107.4 . . ?
O5 C13 H13B 107.4 . . ?
C14 C13 H13B 107.4 . . ?
H13A C13 H13B 107.0 . . ?
C13 C14 C15 108(2) . . ?
C13 C14 H14A 110.2 . . ?
C15 C14 H14A 110.2 . . ?
C13 C14 H14B 110.2 . . ?
C15 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O5 C13B C14B 101.2(16) . . ?
O5 C13B H13C 111.5 . . ?
C14B C13B H13C 111.5 . . ?
O5 C13B H13D 111.5 . . ?
C14B C13B H13D 111.5 . . ?
H13C C13B H13D 109.4 . . ?
C13B C14B C15B 119(3) . . ?
C13B C14B H14C 107.5 . . ?
C15B C14B H14C 107.5 . . ?
C13B C14B H14D 107.5 . . ?
C15B C14B H14D 107.5 . . ?
H14C C14B H14D 107.0 . . ?
C14B C15B H15D 109.5 . . ?
C14B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
C14B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
O6 C16 C17 108.2(9) . . ?
O6 C16 H16A 110.1 . . ?
C17 C16 H16A 110.1 . . ?
O6 C16 H16B 110.1 . . ?
C17 C16 H16B 110.1 . . ?
H16A C16 H16B 108.4 . . ?
C18 C17 C16 114.3(9) . . ?
C18 C17 H17A 108.7 . . ?
C16 C17 H17A 108.7 . . ?
C18 C17 H17B 108.7 . . ?
C16 C17 H17B 108.7 . . ?
H17A C17 H17B 107.6 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O7 C19 C20 106.8(9) . . ?
O7 C19 H19A 110.4 . . ?
C20 C19 H19A 110.4 . . ?
O7 C19 H19B 110.4 . . ?
C20 C19 H19B 110.4 . . ?
H19A C19 H19B 108.6 . . ?
C19 C20 C21 112.8(9) . . ?
C19 C20 H20A 109.0 . . ?
C21 C20 H20A 109.0 . . ?
C19 C20 H20B 109.0 . . ?
C21 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O8 C22 C23 104(2) . . ?
O8 C22 H22A 111.0 . . ?
C23 C22 H22A 111.0 . . ?
O8 C22 H22B 111.0 . . ?
C23 C22 H22B 111.0 . . ?
H22A C22 H22B 109.0 . . ?
C24 C23 C22 109(3) . . ?
C24 C23 H23A 109.9 . . ?
C22 C23 H23A 109.9 . . ?
C24 C23 H23B 109.9 . . ?
C22 C23 H23B 109.9 . . ?
H23A C23 H23B 108.3 . . ?
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 . . ?
O8 C22B C23B 110(2) . . ?
O8 C22B H22C 109.6 . . ?
C23B C22B H22C 109.6 . . ?
O8 C22B H22D 109.6 . . ?
C23B C22B H22D 109.6 . . ?
H22C C22B H22D 108.1 . . ?
C24B C23B C22B 100(2) . . ?
C24B C23B H23C 111.8 . . ?
C22B C23B H23C 111.8 . . ?
C24B C23B H23D 111.8 . . ?
C22B C23B H23D 111.8 . . ?
H23C C23B H23D 109.6 . . ?
C23B C24B H24D 109.5 . . ?
C23B C24B H24E 109.5 . . ?
H24D C24B H24E 109.5 . . ?
C23B C24B H24F 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
O9 C25 C26 109.6(6) . . ?
O9 C25 H25A 109.7 . . ?
C26 C25 H25A 109.7 . . ?
O9 C25 H25B 109.7 . . ?
C26 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
C25 C26 C27 112.7(8) . . ?
C25 C26 H26A 109.0 . . ?
C27 C26 H26A 109.0 . . ?
C25 C26 H26B 109.0 . . ?
C27 C26 H26B 109.0 . . ?
H26A C26 H26B 107.8 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O10 C28 C29 107.2(13) . . ?
O10 C28 H28A 110.3 . . ?
C29 C28 H28A 110.3 . . ?
O10 C28 H28B 110.3 . . ?
C29 C28 H28B 110.3 . . ?
H28A C28 H28B 108.5 . . ?
C30 C29 C28 109(2) . . ?
C30 C29 H29A 109.9 . . ?
C28 C29 H29A 109.9 . . ?
C30 C29 H29B 109.9 . . ?
C28 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O11 C31 C32 126(2) . . ?
O11 C31 H31A 105.7 . . ?
C32 C31 H31A 105.7 . . ?
O11 C31 H31B 105.7 . . ?
C32 C31 H31B 105.7 . . ?
H31A C31 H31B 106.1 . . ?
C33 C32 C31 91.9(17) . . ?
C33 C32 H32A 113.3 . . ?
C31 C32 H32A 113.3 . . ?
C33 C32 H32B 113.3 . . ?
C31 C32 H32B 113.3 . . ?
H32A C32 H32B 110.6 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O12 C34 C35 109.5(7) . . ?
O12 C34 H34A 109.8 . . ?
C35 C34 H34A 109.8 . . ?
O12 C34 H34B 109.8 . . ?
C35 C34 H34B 109.8 . . ?
H34A C34 H34B 108.2 . . ?
C34 C35 C36 112.2(8) . . ?
C34 C35 H35A 109.2 . . ?
C36 C35 H35A 109.2 . . ?
C34 C35 H35B 109.2 . . ?
C36 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O13 C37 C38 104.0(10) . . ?
O13 C37 H37A 111.0 . . ?
C38 C37 H37A 111.0 . . ?
O13 C37 H37B 111.0 . . ?
C38 C37 H37B 111.0 . . ?
H37A C37 H37B 109.0 . . ?
C39 C38 C37 108.2(13) . . ?
C39 C38 H38A 110.1 . . ?
C37 C38 H38A 110.1 . . ?
C39 C38 H38B 110.1 . . ?
C37 C38 H38B 110.1 . . ?
H38A C38 H38B 108.4 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O14 C40 C41 114(2) . . ?
O14 C40 H40A 108.8 . . ?
C41 C40 H40A 108.8 . . ?
O14 C40 H40B 108.8 . . ?
C41 C40 H40B 108.8 . . ?
H40A C40 H40B 107.7 . . ?
C40 C41 C42 109(5) . . ?
C40 C41 H41A 109.9 . . ?
C42 C41 H41A 109.9 . . ?
C40 C41 H41B 109.9 . . ?
C42 C41 H41B 109.9 . . ?
H41A C41 H41B 108.3 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O14 C40B C41B 104(3) . . ?
O14 C40B H40C 110.9 . . ?
C41B C40B H40C 110.9 . . ?
O14 C40B H40D 110.9 . . ?
C41B C40B H40D 110.9 . . ?
H40C C40B H40D 108.9 . . ?
C40B C41B C42B 110(9) . . ?
C40B C41B H41C 109.6 . . ?
C42B C41B H41C 109.6 . . ?
C40B C41B H41D 109.6 . . ?
C42B C41B H41D 109.6 . . ?
H41C C41B H41D 108.1 . . ?
C41B C42B H42D 109.5 . . ?
C41B C42B H42E 109.5 . . ?
H42D C42B H42E 109.5 . . ?
C41B C42B H42F 109.5 . . ?
H42D C42B H42F 109.5 . . ?
H42E C42B H42F 109.5 . . ?
O15 C43 C44 107.8(13) . . ?
O15 C43 H43A 110.1 . . ?
C44 C43 H43A 110.1 . . ?
O15 C43 H43B 110.1 . . ?
C44 C43 H43B 110.1 . . ?
H43A C43 H43B 108.5 . . ?
C43 C44 C45 113.4(17) . . ?
C43 C44 H44A 108.9 . . ?
C45 C44 H44A 108.9 . . ?
C43 C44 H44B 108.9 . . ?
C45 C44 H44B 108.9 . . ?
H44A C44 H44B 107.7 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O15 C43B C44B 111.7(18) . . ?
O15 C43B H43C 109.3 . . ?
C44B C43B H43C 109.3 . . ?
O15 C43B H43D 109.3 . . ?
C44B C43B H43D 109.3 . . ?
H43C C43B H43D 107.9 . . ?
C43B C44B C45B 109.3(17) . . ?
C43B C44B H44C 109.8 . . ?
C45B C44B H44C 109.8 . . ?
C43B C44B H44D 109.8 . . ?
C45B C44B H44D 109.8 . . ?
H44C C44B H44D 108.3 . . ?
C44B C45B H45D 109.5 . . ?
C44B C45B H45E 109.5 . . ?
H45D C45B H45E 109.5 . . ?
C44B C45B H45F 109.5 . . ?
H45D C45B H45F 109.5 . . ?
H45E C45B H45F 109.5 . . ?
O16 C46 C47 107.2(7) . . ?
O16 C46 H46A 110.3 . . ?
C47 C46 H46A 110.3 . . ?
O16 C46 H46B 110.3 . . ?
C47 C46 H46B 110.3 . . ?
H46A C46 H46B 108.5 . . ?
C46 C47 C48 113.4(8) . . ?
C46 C47 H47A 108.9 . . ?
C48 C47 H47A 108.9 . . ?
C46 C47 H47B 108.9 . . ?
C48 C47 H47B 108.9 . . ?
H47A C47 H47B 107.7 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O17 C49 C50 115.1(8) . . ?
O17 C49 H49A 108.5 . . ?
C50 C49 H49A 108.5 . . ?
O17 C49 H49B 108.5 . . ?
C50 C49 H49B 108.5 . . ?
H49A C49 H49B 107.5 . . ?
C51 C50 C49 114.2(12) . . ?
C51 C50 H50A 108.7 . . ?
C49 C50 H50A 108.7 . . ?
C51 C50 H50B 108.7 . . ?
C49 C50 H50B 108.7 . . ?
H50A C50 H50B 107.6 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 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
Pt1 Ag7 2.7138(7) . ?
Pt1 Ag8 2.7270(6) . ?
Pt1 Ag2 2.7359(7) . ?
Pt1 Ag3 2.7420(7) . ?
Pt1 Ag10 2.7430(5) . ?
Pt1 Ag11 2.7523(6) 2_655 ?
Pt1 Ag6 2.7525(6) . ?
Pt1 Ag4 2.7607(6) . ?
Pt1 Ag1 2.7665(7) . ?
Pt1 Ag5 2.7846(7) . ?
Pt1 Ag9 2.7857(6) . ?
Pt1 Ag12 2.8422(6) 2_655 ?
Ag1 S3 2.602(2) . ?
Ag1 Ag5 2.8253(8) . ?
Ag1 Ag3 2.8290(9) . ?
Ag1 Ag4 2.8912(9) . ?
Ag1 Ag14 2.9002(9) . ?
Ag1 Ag6 2.9036(8) . ?
Ag1 Ag13 2.9352(9) . ?
Ag1 Ag2 3.0100(9) . ?
Ag2 S2 2.584(2) . ?
Ag2 Ag6 2.8046(8) . ?
Ag2 Ag15 2.8472(9) . ?
Ag2 Ag7 2.8895(8) . ?
Ag2 Ag12 2.9371(9) 2_655 ?
Ag2 Ag3 2.9831(8) . ?
Ag2 Ag14 3.0049(9) . ?
Ag3 S6 2.599(2) . ?
Ag3 Ag15 2.8584(9) . ?
Ag3 Ag4 2.8666(8) . ?
Ag3 Ag17 2.9048(9) . ?
Ag3 Ag16 2.9107(9) . ?
Ag3 Ag7 2.9793(8) . ?
Ag3 Ag8 3.0201(8) . ?
Ag4 S8 2.471(2) . ?
Ag4 Ag9 2.8719(8) . ?
Ag4 Ag8 2.8830(8) . ?
Ag4 Ag5 2.9001(8) . ?
Ag4 Ag17 3.1289(9) . ?
Ag5 S14 2.5403(19) . ?
Ag5 Ag9 2.8588(8) . ?
Ag5 Ag10 2.8875(6) . ?
Ag5 Ag6 2.9011(8) . ?
Ag5 Ag13 2.9874(8) . ?
Ag5 Ag11 3.1083(9) . ?
Ag6 S17 2.5221(18) . ?
Ag6 Ag10 2.8325(8) . ?
Ag6 Ag12 2.8986(8) . ?
Ag6 Ag13 3.0203(9) . ?
Ag6 Ag14 3.0224(8) . ?
Ag6 Ag12 3.0783(9) 2_655 ?
Ag7 S12 2.553(2) . ?
Ag7 Ag12 2.8407(8) 2_655 ?
Ag7 Ag16 2.8585(9) . ?
Ag7 Ag8 2.8994(8) . ?
Ag7 Ag15 2.9853(9) . ?
Ag7 Ag11 2.9979(8) 2_655 ?
Ag8 S10 2.486(2) . ?
Ag8 Ag11 2.8667(9) 2_655 ?
Ag8 Ag9 2.9147(8) . ?
Ag8 Ag17 2.9950(10) . ?
Ag8 Ag16 3.1316(9) . ?
Ag9 S9 2.4795(19) . ?
Ag9 Ag11 2.8600(8) 2_655 ?
Ag9 Ag10 2.8932(8) . ?
Ag9 Ag9 3.2830(12) 2_655 ?
Ag10 Ag11 2.8398(7) . ?
Ag10 Ag11 2.8399(7) 2_655 ?
Ag10 Ag12 2.9309(7) 2_655 ?
Ag10 Ag12 2.9309(7) . ?
Ag11 S14 2.5066(19) . ?
Ag11 Ag12 2.8442(8) . ?
Ag12 S17 2.6838(19) . ?
Ag12 S15 2.7744(19) . ?
Ag13 S4 2.517(2) . ?
Ag13 S15 2.5254(19) . ?
Ag13 S16 2.598(2) . ?
Ag13 Ag14 3.2275(9) . ?
Ag14 S2 2.539(2) . ?
Ag14 S16 2.540(2) . ?
Ag14 S3 2.614(2) . ?
Ag15 S13 2.508(2) . ?
Ag15 S1 2.509(3) . ?
Ag15 S5 2.588(2) . ?
Ag15 Ag16 3.1092(10) . ?
Ag16 S11 2.522(2) . ?
Ag16 S12 2.555(2) . ?
Ag16 S5 2.584(2) . ?
Ag16 Ag17 3.1311(10) . ?
Ag17 S7 2.476(3) . ?
Ag17 S11 2.554(3) . ?
Ag17 S6 2.558(3) . ?
S1 P1 1.972(3) . ?
S2 P1 2.010(3) . ?
S3 P2 2.003(4) . ?
S4 P2 2.000(4) . ?
S5 P3 2.003(3) . ?
S6 P3 2.006(3) . ?
S7 P4 2.007(4) . ?
S8 P4 1.972(4) . ?
S9 P5 1.997(2) . ?
S10 P6 1.955(4) . ?
S11 P6 2.019(4) . ?
S12 P7 2.018(3) . ?
S13 P7 1.973(4) . ?
S14 P8 2.006(3) . ?
S15 P8 1.996(3) . ?
S16 P9 2.008(3) . ?
S17 P9 2.005(3) . ?
P1 O1 1.579(7) . ?
P1 O2 1.584(8) . ?
P2 O3 1.564(8) . ?
P2 O4 1.587(7) . ?
P3 O5 1.553(7) . ?
P3 O6 1.591(7) . ?
P4 O8 1.585(7) . ?
P4 O7 1.592(7) . ?
P5 O9 1.584(5) . ?
P5 O9 1.584(5) 2_655 ?
P6 O11 1.550(10) . ?
P6 O10 1.599(10) . ?
P7 O13 1.583(6) . ?
P7 O12 1.585(6) . ?
P8 O14 1.583(5) . ?
P8 O15 1.584(5) . ?
P9 O17 1.568(5) . ?
P9 O16 1.575(5) . ?
O1 C1 1.445(15) . ?
O2 C4 1.468(12) . ?
O3 C7 1.384(15) . ?
O4 C10B 1.46(2) . ?
O4 C10 1.46(2) . ?
O5 C13B 1.332(19) . ?
O5 C13 1.408(19) . ?
O6 C16 1.430(11) . ?
O7 C19 1.443(12) . ?
O8 C22 1.386(19) . ?
O8 C22B 1.39(2) . ?
O9 C25 1.451(9) . ?
O10 C28 1.468(16) . ?
O11 C31 1.45(3) . ?
O12 C34 1.444(10) . ?
O13 C37 1.419(14) . ?
O14 C40B 1.459(16) . ?
O14 C40 1.460(13) . ?
O15 C43 1.469(13) . ?
O15 C43B 1.474(16) . ?
O16 C46 1.452(9) . ?
O17 C49 1.459(9) . ?
C1 C2 1.50(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.56(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.68(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.56(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.526(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.513(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.537(10) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.542(10) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C10B C11B 1.54(2) . ?
C10B H10C 0.9900 . ?
C10B H10D 0.9900 . ?
C11B C12B 1.57(2) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
C12B H12D 0.9800 . ?
C12B H12E 0.9800 . ?
C12B H12F 0.9800 . ?
C13 C14 1.544(10) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.546(10) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C13B C14B 1.53(2) . ?
C13B H13C 0.9900 . ?
C13B H13D 0.9900 . ?
C14B C15B 1.53(2) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C16 C17 1.492(15) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.490(16) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.506(15) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.524(17) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.65(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.60(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C22B C23B 1.66(3) . ?
C22B H22C 0.9900 . ?
C22B H22D 0.9900 . ?
C23B C24B 1.60(4) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C25 C26 1.495(11) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.522(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.69(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.63(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.546(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.513(10) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.492(13) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.516(14) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.545(9) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.511(10) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.50(2) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.535(10) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C40B C41B 1.50(2) . ?
C40B H40C 0.9900 . ?
C40B H40D 0.9900 . ?
C41B C42B 1.55(2) . ?
C41B H41C 0.9900 . ?
C41B H41D 0.9900 . ?
C42B H42D 0.9800 . ?
C42B H42E 0.9800 . ?
C42B H42F 0.9800 . ?
C43 C44 1.502(15) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.540(9) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C43B C44B 1.502(18) . ?
C43B H43C 0.9900 . ?
C43B H43D 0.9900 . ?
C44B C45B 1.54(2) . ?
C44B H44C 0.9900 . ?
C44B H44D 0.9900 . ?
C45B H45D 0.9800 . ?
C45B H45E 0.9800 . ?
C45B H45F 0.9800 . ?
C46 C47 1.504(11) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.517(13) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.502(8) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.500(10) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
