#------------------------------------------------------------------------------
#$Date: 2019-11-08 02:06:57 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224665 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/21/1552122.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_1552122
loop_
_publ_author_name
'Barik, Subrat Kumar'
'Chiu, Tzu-Hao'
'Liu, Yu-Chiao'
'Chiang, Ming-Hsi'
'Gam, Franck'
'Chantrenne, Isaac'
'Kahlal, Samia'
'Saillard, Jean-Yves'
'Liu, C. W.'
_publ_section_title
;
 Mono- and hexa-palladium doped silver nanoclusters stabilized by
 dithiolates.
;
_journal_issue                   31
_journal_name_full               Nanoscale
_journal_page_first              14581
_journal_page_last               14586
_journal_paper_doi               10.1039/c9nr05068j
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C75 H175 Ag20 O24 P12 Pd S24'
_chemical_formula_weight         4866.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-04-23 deposited with the CCDC.    2019-07-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.4870(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.0622(12)
_cell_length_b                   17.3584(7)
_cell_length_c                   29.8055(12)
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.16
_cell_volume                     14662.5(10)
_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 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0376
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            84712
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.437
_exptl_absorpt_coefficient_mu    3.246
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.204
_exptl_crystal_description       block
_exptl_crystal_F_000             9468
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_refine_diff_density_max         2.286
_refine_diff_density_min         -1.710
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1440
_refine_ls_number_reflns         25747
_refine_ls_number_restraints     400
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0387
_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)+(0.0302P)²+144.4239P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.0979
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21256
_reflns_number_total             25747
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nr05068j2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1552122--1552123.cif.'
_cod_database_code               1552122
_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   0.759
_shelx_estimated_absorpt_t_max   0.881
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ag1 Ag 0.18545(2) 0.45711(3) 0.65085(2) 0.02050(11) Uani 1 1 d . . . . .
Ag2 Ag 0.15599(2) 0.45205(3) 0.73227(2) 0.01988(11) Uani 1 1 d . . . . .
Ag3 Ag 0.15781(2) 0.59768(3) 0.68607(2) 0.01974(11) Uani 1 1 d . . . . .
Ag4 Ag 0.24081(2) 0.59471(3) 0.65640(2) 0.02207(11) Uani 1 1 d . . . . .
Ag5 Ag 0.29000(2) 0.44991(3) 0.68489(2) 0.02204(11) Uani 1 1 d . . . . .
Ag6 Ag 0.23745(2) 0.36242(3) 0.72970(2) 0.02039(11) Uani 1 1 d . . . . .
Ag7 Ag 0.19231(2) 0.58712(3) 0.78775(2) 0.02009(11) Uani 1 1 d . . . . .
Ag8 Ag 0.24406(2) 0.67756(3) 0.74067(2) 0.02504(12) Uani 1 1 d . . . . .
Ag9 Ag 0.32611(2) 0.58965(3) 0.73917(2) 0.02567(12) Uani 1 1 d . . . . .
Ag10 Ag 0.32413(2) 0.44662(3) 0.78795(2) 0.02153(11) Uani 1 1 d . . . . .
Ag11 Ag 0.24310(2) 0.44187(3) 0.81695(2) 0.01971(11) Uani 1 1 d . . . . .
Ag12 Ag 0.29633(2) 0.58569(3) 0.82232(2) 0.02449(12) Uani 1 1 d . . . . .
Ag13 Ag 0.33300(2) 0.30450(3) 0.73631(2) 0.02826(12) Uani 1 1 d . . . . .
Ag14 Ag 0.39657(2) 0.46206(3) 0.73915(2) 0.03242(13) Uani 1 1 d . . . . .
Ag15 Ag 0.24806(2) 0.72005(3) 0.83897(2) 0.03578(14) Uani 1 1 d . . . . .
Ag16 Ag 0.24453(2) 0.55293(3) 0.88868(2) 0.02984(13) Uani 1 1 d . . . . .
Ag17 Ag 0.15170(2) 0.46844(3) 0.83106(2) 0.02810(12) Uani 1 1 d . . . . .
Ag18 Ag 0.18462(2) 0.30856(3) 0.78951(2) 0.02981(13) Uani 1 1 d . . . . .
Ag19 Ag 0.14295(2) 0.58238(3) 0.58310(2) 0.02514(12) Uani 1 1 d . . . . .
Ag20 Ag 0.18144(2) 0.74214(3) 0.64713(2) 0.03029(13) Uani 1 1 d . . . . .
C1 C 0.0561(3) 0.4594(4) 0.4940(3) 0.0338(16) Uani 1 1 d . . . . .
H1A H 0.064850 0.491933 0.522949 0.041 Uiso 1 1 calc R U . . .
H1B H 0.022338 0.445667 0.485774 0.041 Uiso 1 1 calc R U . . .
C2 C 0.0627(3) 0.5044(6) 0.4542(3) 0.051(2) Uani 1 1 d . . . . .
H2A H 0.050579 0.474330 0.424358 0.061 Uiso 1 1 calc R U . . .
H2B H 0.096839 0.513460 0.460740 0.061 Uiso 1 1 calc R U . . .
C3 C 0.0372(4) 0.5817(6) 0.4477(4) 0.067(3) Uani 1 1 d . . . . .
H3A H 0.003120 0.572847 0.438862 0.101 Uiso 1 1 calc R U . . .
H3B H 0.043685 0.611081 0.422520 0.101 Uiso 1 1 calc R U . . .
H3C H 0.048255 0.610763 0.477574 0.101 Uiso 1 1 calc R U . . .
C4 C 0.1792(4) 0.2633(5) 0.5812(4) 0.072(3) Uani 1 1 d D . . . .
H4A H 0.166675 0.259044 0.607882 0.086 Uiso 1 1 calc R U . . .
H4B H 0.207075 0.297570 0.591943 0.086 Uiso 1 1 calc R U . . .
C5 C 0.1962(5) 0.1852(6) 0.5733(5) 0.110(5) Uani 1 1 d D . . . .
H5A H 0.216695 0.190094 0.553501 0.132 Uiso 1 1 calc R U . . .
H5B H 0.215270 0.162937 0.604332 0.132 Uiso 1 1 calc R U . . .
C6 C 0.1564(5) 0.1321(8) 0.5494(5) 0.110(5) Uani 1 1 d D . . . .
H6A H 0.134102 0.131362 0.567049 0.166 Uiso 1 1 calc R U . . .
H6B H 0.168659 0.079982 0.548547 0.166 Uiso 1 1 calc R U . . .
H6C H 0.140143 0.149874 0.516797 0.166 Uiso 1 1 calc R U . . .
C7 C 0.1898(4) 0.6208(8) 0.4742(4) 0.084(4) Uani 1 1 d D . . . .
H7A H 0.155105 0.623015 0.466073 0.101 Uiso 1 1 calc R U . . .
H7B H 0.201642 0.580072 0.498461 0.101 Uiso 1 1 calc R U . . .
C8 C 0.2003(4) 0.5973(9) 0.4307(5) 0.106(5) Uani 1 1 d D . . . .
H8A H 0.191759 0.542274 0.424925 0.127 Uiso 1 1 calc R U . . .
H8B H 0.178823 0.626573 0.403635 0.127 Uiso 1 1 calc R U . . .
C9 C 0.2489(4) 0.6064(7) 0.4289(4) 0.075(3) Uani 1 1 d D . . . .
H9A H 0.262797 0.654170 0.445176 0.112 Uiso 1 1 calc R U . . .
H9B H 0.247638 0.608657 0.395662 0.112 Uiso 1 1 calc R U . . .
H9C H 0.268302 0.562500 0.444737 0.112 Uiso 1 1 calc R U . . .
C10 C 0.2285(7) 0.8589(10) 0.5437(11) 0.096(6) Uani 0.5 1 d D . P A 1
H10A H 0.199686 0.868554 0.552002 0.115 Uiso 0.5 1 calc R U P A 1
H10B H 0.218637 0.863758 0.508682 0.115 Uiso 0.5 1 calc R U P A 1
C11 C 0.2600(8) 0.9303(11) 0.5629(8) 0.077(5) Uani 0.5 1 d D . P A 1
H11A H 0.243490 0.979291 0.550697 0.092 Uiso 0.5 1 calc R U P A 1
H11B H 0.272944 0.931480 0.598058 0.092 Uiso 0.5 1 calc R U P A 1
C12 C 0.2975(9) 0.911(2) 0.5403(13) 0.133(9) Uani 0.5 1 d D . P A 1
H12A H 0.318185 0.869946 0.558814 0.200 Uiso 0.5 1 calc R U P A 1
H12B H 0.316338 0.956621 0.539979 0.200 Uiso 0.5 1 calc R U P A 1
H12C H 0.282086 0.892701 0.507563 0.200 Uiso 0.5 1 calc R U P A 1
C10B C 0.2685(8) 0.8212(11) 0.5398(11) 0.096(6) Uani 0.5 1 d D . P A 2
H10C H 0.269272 0.796103 0.510211 0.115 Uiso 0.5 1 calc R U P A 2
H10D H 0.298829 0.810045 0.565062 0.115 Uiso 0.5 1 calc R U P A 2
C11B C 0.2642(8) 0.9102(12) 0.5315(9) 0.077(5) Uani 0.5 1 d D . P A 2
H11C H 0.261794 0.924674 0.498604 0.092 Uiso 0.5 1 calc R U P A 2
H11D H 0.237657 0.932794 0.539598 0.092 Uiso 0.5 1 calc R U P A 2
C12B C 0.3116(10) 0.9306(17) 0.5673(12) 0.133(9) Uani 0.5 1 d D . P A 2
H12D H 0.323480 0.886961 0.588874 0.200 Uiso 0.5 1 calc R U P A 2
H12E H 0.308243 0.975670 0.585732 0.200 Uiso 0.5 1 calc R U P A 2
H12F H 0.333929 0.942405 0.550658 0.200 Uiso 0.5 1 calc R U P A 2
C13 C 0.0027(3) 0.7260(6) 0.5461(3) 0.049(2) Uani 1 1 d . . . . .
H13A H -0.025711 0.722430 0.555836 0.058 Uiso 1 1 calc R U . . .
H13B H 0.007962 0.674869 0.534076 0.058 Uiso 1 1 calc R U . . .
C14 C -0.0055(5) 0.7831(6) 0.5080(4) 0.072(3) Uani 1 1 d . . . . .
H14A H -0.033634 0.767326 0.481093 0.086 Uiso 1 1 calc R U . . .
H14B H 0.021837 0.782706 0.496566 0.086 Uiso 1 1 calc R U . . .
C15 C -0.0129(5) 0.8636(7) 0.5220(4) 0.088(4) Uani 1 1 d . . . . .
H15A H -0.037045 0.863716 0.537388 0.132 Uiso 1 1 calc R U . . .
H15B H -0.023130 0.896333 0.493624 0.132 Uiso 1 1 calc R U . . .
H15C H 0.016819 0.883561 0.544277 0.132 Uiso 1 1 calc R U . . .
C16 C 0.0191(3) 0.6424(5) 0.6903(3) 0.0369(18) Uani 1 1 d . . . . .
H16A H 0.039598 0.669961 0.718762 0.044 Uiso 1 1 calc R U . . .
H16B H 0.033769 0.591900 0.688711 0.044 Uiso 1 1 calc R U . . .
C17 C -0.0274(3) 0.6301(5) 0.6950(3) 0.0357(17) Uani 1 1 d . . . . .
H17A H -0.047975 0.601857 0.666820 0.043 Uiso 1 1 calc R U . . .
H17B H -0.042358 0.680438 0.696469 0.043 Uiso 1 1 calc R U . . .
C18 C -0.0226(3) 0.5843(5) 0.7396(3) 0.043(2) Uani 1 1 d . . . . .
H18A H -0.010397 0.532855 0.736901 0.065 Uiso 1 1 calc R U . . .
H18B H -0.053561 0.579737 0.743661 0.065 Uiso 1 1 calc R U . . .
H18C H -0.000760 0.610837 0.767279 0.065 Uiso 1 1 calc R U . . .
C19 C 0.0613(3) 0.2439(4) 0.7001(3) 0.0331(17) Uani 1 1 d . . . . .
H19A H 0.077554 0.199218 0.719205 0.040 Uiso 1 1 calc R U . . .
H19B H 0.085385 0.277484 0.694162 0.040 Uiso 1 1 calc R U . . .
C20 C 0.0269(3) 0.2166(5) 0.6535(3) 0.045(2) Uani 1 1 d . . . . .
H20A H 0.001672 0.185985 0.659509 0.054 Uiso 1 1 calc R U . . .
H20B H 0.012030 0.261600 0.633774 0.054 Uiso 1 1 calc R U . . .
C21 C 0.0511(4) 0.1684(6) 0.6271(4) 0.063(3) Uani 1 1 d . . . . .
H21A H 0.077544 0.197356 0.623225 0.094 Uiso 1 1 calc R U . . .
H21B H 0.028672 0.155250 0.595728 0.094 Uiso 1 1 calc R U . . .
H21C H 0.062865 0.121120 0.645059 0.094 Uiso 1 1 calc R U . . .
C22 C 0.0020(3) 0.3532(4) 0.8053(3) 0.0298(16) Uani 1 1 d . . . . .
H22A H 0.028689 0.323607 0.827052 0.036 Uiso 1 1 calc R U . . .
H22B H -0.023688 0.316718 0.789195 0.036 Uiso 1 1 calc R U . . .
C23 C -0.0151(3) 0.4124(5) 0.8328(3) 0.0420(19) Uani 1 1 d . . . . .
H23A H -0.040595 0.443096 0.810183 0.050 Uiso 1 1 calc R U . . .
H23B H -0.028649 0.385519 0.854526 0.050 Uiso 1 1 calc R U . . .
C24 C 0.0232(4) 0.4660(6) 0.8614(4) 0.063(3) Uani 1 1 d . . . . .
H24A H 0.049664 0.435834 0.882115 0.095 Uiso 1 1 calc R U . . .
H24B H 0.010842 0.499660 0.880822 0.095 Uiso 1 1 calc R U . . .
H24C H 0.034150 0.497445 0.839776 0.095 Uiso 1 1 calc R U . . .
C25 C 0.3041(3) 0.0785(5) 0.7217(3) 0.0367(18) Uani 1 1 d . . . . .
H25A H 0.301058 0.037145 0.743407 0.044 Uiso 1 1 calc R U . . .
H25B H 0.333089 0.108134 0.738127 0.044 Uiso 1 1 calc R U . . .
C26 C 0.3076(4) 0.0443(7) 0.6780(4) 0.069(3) Uani 1 1 d . . . . .
H26A H 0.313843 0.085227 0.657720 0.083 Uiso 1 1 calc R U . . .
H26B H 0.277346 0.019168 0.659910 0.083 Uiso 1 1 calc R U . . .
C27 C 0.3472(4) -0.0149(7) 0.6901(5) 0.078(4) Uani 1 1 d . . . . .
H27A H 0.376814 0.009429 0.709524 0.117 Uiso 1 1 calc R U . . .
H27B H 0.350740 -0.034693 0.660652 0.117 Uiso 1 1 calc R U . . .
H27C H 0.339701 -0.057510 0.707890 0.117 Uiso 1 1 calc R U . . .
C28 C 0.2398(3) 0.1107(5) 0.8291(3) 0.0419(19) Uani 1 1 d . . . . .
H28A H 0.232948 0.164653 0.835388 0.050 Uiso 1 1 calc R U . . .
H28B H 0.270801 0.096130 0.852236 0.050 Uiso 1 1 calc R U . . .
C29 C 0.2018(4) 0.0580(5) 0.8342(4) 0.058(3) Uani 1 1 d . . . . .
H29A H 0.206411 0.005641 0.823327 0.069 Uiso 1 1 calc R U . . .
H29B H 0.204576 0.054631 0.868209 0.069 Uiso 1 1 calc R U . . .
C30 C 0.1536(4) 0.0863(7) 0.8059(5) 0.083(4) Uani 1 1 d . . . . .
H30A H 0.148426 0.137067 0.817686 0.124 Uiso 1 1 calc R U . . .
H30B H 0.129887 0.050071 0.809172 0.124 Uiso 1 1 calc R U . . .
H30C H 0.150961 0.090341 0.772316 0.124 Uiso 1 1 calc R U . . .
C31 C 0.2942(4) 0.3904(10) 0.5462(3) 0.102(5) Uani 1 1 d D . . . .
H31A H 0.295574 0.444807 0.556459 0.123 Uiso 1 1 calc R U . . .
H31B H 0.267768 0.365534 0.553469 0.123 Uiso 1 1 calc R U . . .
C32 C 0.2840(5) 0.3886(14) 0.4951(4) 0.152(9) Uani 1 1 d D . . . .
H32A H 0.266482 0.436589 0.482572 0.182 Uiso 1 1 calc R U . . .
H32B H 0.261493 0.345727 0.482999 0.182 Uiso 1 1 calc R U . . .
C33 C 0.3201(5) 0.3809(9) 0.4713(4) 0.099(5) Uani 1 1 d D . . . .
H33A H 0.329332 0.432167 0.463908 0.148 Uiso 1 1 calc R U . . .
H33B H 0.306859 0.351335 0.441849 0.148 Uiso 1 1 calc R U . . .
H33C H 0.347789 0.354036 0.492578 0.148 Uiso 1 1 calc R U . . .
C34 C 0.4054(3) 0.2386(5) 0.6350(3) 0.050(2) Uani 1 1 d . . . . .
H34A H 0.373825 0.215510 0.619998 0.060 Uiso 1 1 calc R U . . .
H34B H 0.422535 0.235964 0.611809 0.060 Uiso 1 1 calc R U . . .
C35 C 0.4311(4) 0.1953(5) 0.6773(3) 0.053(2) Uani 1 1 d . . . . .
H35A H 0.412225 0.193319 0.698920 0.064 Uiso 1 1 calc R U . . .
H35B H 0.461120 0.221949 0.694230 0.064 Uiso 1 1 calc R U . . .
C36 C 0.4416(4) 0.1130(5) 0.6652(3) 0.053(2) Uani 1 1 d . . . . .
H36A H 0.411916 0.085506 0.650037 0.080 Uiso 1 1 calc R U . . .
H36B H 0.459985 0.086084 0.694385 0.080 Uiso 1 1 calc R U . . .
H36C H 0.459771 0.114745 0.643281 0.080 Uiso 1 1 calc R U . . .
C37 C 0.5067(3) 0.4225(5) 0.8640(4) 0.064(3) Uani 1 1 d . . . . .
H37A H 0.495924 0.467117 0.878365 0.077 Uiso 1 1 calc R U . . .
H37B H 0.499599 0.432888 0.829639 0.077 Uiso 1 1 calc R U . . .
C38 C 0.5596(4) 0.4101(8) 0.8882(5) 0.118(6) Uani 1 1 d D . . . .
H38A H 0.569752 0.360718 0.878133 0.142 Uiso 1 1 calc R U . . .
H38B H 0.577861 0.452595 0.880529 0.142 Uiso 1 1 calc R U . . .
C39 C 0.5661(8) 0.4092(14) 0.9408(5) 0.207(11) Uani 1 1 d D . . . .
H39A H 0.558255 0.459914 0.950459 0.310 Uiso 1 1 calc R U . . .
H39B H 0.598996 0.396700 0.958985 0.310 Uiso 1 1 calc R U . . .
H39C H 0.545292 0.370196 0.947011 0.310 Uiso 1 1 calc R U . . .
C40 C 0.4079(3) 0.2355(6) 0.9000(3) 0.051(2) Uani 1 1 d . . . . .
H40A H 0.400537 0.179824 0.898889 0.061 Uiso 1 1 calc R U . . .
H40B H 0.378635 0.264166 0.897384 0.061 Uiso 1 1 calc R U . . .
C41 C 0.4440(4) 0.2535(7) 0.9461(4) 0.062(3) Uani 1 1 d . . . . .
H41A H 0.431728 0.238099 0.971810 0.074 Uiso 1 1 calc R U . . .
H41B H 0.448684 0.310043 0.948303 0.074 Uiso 1 1 calc R U . . .
C42 C 0.4915(4) 0.2153(7) 0.9551(4) 0.068(3) Uani 1 1 d . . . . .
H42A H 0.487534 0.159206 0.953606 0.102 Uiso 1 1 calc R U . . .
H42B H 0.512884 0.229932 0.986738 0.102 Uiso 1 1 calc R U . . .
H42C H 0.504859 0.232005 0.930904 0.102 Uiso 1 1 calc R U . . .
C43 C 0.4746(3) 0.6634(5) 0.6821(3) 0.0407(19) Uani 1 1 d . . . . .
H43A H 0.492643 0.711264 0.693751 0.049 Uiso 1 1 calc R U . . .
H43B H 0.444548 0.677256 0.657098 0.049 Uiso 1 1 calc R U . . .
C44 C 0.5025(4) 0.6101(6) 0.6622(3) 0.053(2) Uani 1 1 d . . . . .
H44A H 0.505260 0.633196 0.632883 0.064 Uiso 1 1 calc R U . . .
H44B H 0.485076 0.560956 0.653260 0.064 Uiso 1 1 calc R U . . .
C45 C 0.5515(3) 0.5931(6) 0.6963(4) 0.057(3) Uani 1 1 d . . . . .
H45A H 0.569390 0.641231 0.704615 0.086 Uiso 1 1 calc R U . . .
H45B H 0.567657 0.557940 0.681072 0.086 Uiso 1 1 calc R U . . .
H45C H 0.549148 0.569103 0.725153 0.086 Uiso 1 1 calc R U . . .
C46 C 0.4214(4) 0.7896(5) 0.7804(4) 0.060(3) Uani 1 1 d . . . . .
H46A H 0.408815 0.767584 0.804317 0.072 Uiso 1 1 calc R U . . .
H46B H 0.394674 0.808181 0.752938 0.072 Uiso 1 1 calc R U . . .
C47 C 0.4554(5) 0.8552(7) 0.8018(6) 0.097(5) Uani 1 1 d . . . . .
H47A H 0.438539 0.894859 0.813832 0.116 Uiso 1 1 calc R U . . .
H47B H 0.481390 0.835102 0.829467 0.116 Uiso 1 1 calc R U . . .
C48 C 0.4760(5) 0.8921(6) 0.7687(6) 0.104(5) Uani 1 1 d . . . . .
H48A H 0.494721 0.854288 0.758286 0.156 Uiso 1 1 calc R U . . .
H48B H 0.496341 0.934943 0.784793 0.156 Uiso 1 1 calc R U . . .
H48C H 0.450631 0.911727 0.740934 0.156 Uiso 1 1 calc R U . . .
C49 C 0.3041(3) 0.9244(6) 0.8216(3) 0.054(2) Uani 1 1 d . . . . .
H49A H 0.292963 0.893215 0.843542 0.065 Uiso 1 1 calc R U . . .
H49B H 0.285834 0.973068 0.815124 0.065 Uiso 1 1 calc R U . . .
C50 C 0.3538(4) 0.9419(6) 0.8442(4) 0.063(3) Uani 1 1 d . . . . .
H50A H 0.364895 0.971013 0.821362 0.076 Uiso 1 1 calc R U . . .
H50B H 0.371601 0.892860 0.851145 0.076 Uiso 1 1 calc R U . . .
C51 C 0.3655(5) 0.9870(9) 0.8889(5) 0.103(5) Uani 1 1 d . . . . .
H51A H 0.354287 1.040032 0.881554 0.155 Uiso 1 1 calc R U . . .
H51B H 0.399734 0.987108 0.904937 0.155 Uiso 1 1 calc R U . . .
H51C H 0.350102 0.963546 0.909858 0.155 Uiso 1 1 calc R U . . .
C52 C 0.1751(4) 0.9545(7) 0.6989(4) 0.080(3) Uani 1 1 d . . . . .
H52A H 0.164043 1.001067 0.711274 0.096 Uiso 1 1 calc R U . . .
H52B H 0.156457 0.909942 0.703384 0.096 Uiso 1 1 calc R U . . .
C53 C 0.1680(5) 0.9648(10) 0.6462(5) 0.115(6) Uani 1 1 d . . . . .
H53A H 0.183207 1.013295 0.641542 0.138 Uiso 1 1 calc R U . . .
H53B H 0.183292 0.921682 0.635215 0.138 Uiso 1 1 calc R U . . .
C54 C 0.1183(5) 0.9671(9) 0.6179(5) 0.103(5) Uani 1 1 d . . . . .
H54A H 0.103909 0.916988 0.619552 0.154 Uiso 1 1 calc R U . . .
H54B H 0.114942 0.978540 0.584691 0.154 Uiso 1 1 calc R U . . .
H54C H 0.102573 1.007166 0.630195 0.154 Uiso 1 1 calc R U . . .
C55 C 0.4368(3) 0.6131(6) 0.9192(4) 0.059(3) Uani 1 1 d D . . . .
H55A H 0.423905 0.629202 0.885447 0.071 Uiso 1 1 calc R U . . .
H55B H 0.431845 0.556991 0.920886 0.071 Uiso 1 1 calc R U . . .
C56 C 0.4883(3) 0.6311(7) 0.9387(4) 0.074(3) Uani 1 1 d D . . . .
H56A H 0.507322 0.594660 0.927000 0.089 Uiso 1 1 calc R U . . .
H56B H 0.500176 0.631945 0.973907 0.089 Uiso 1 1 calc R U . . .
C57 C 0.4872(7) 0.7136(9) 0.9170(7) 0.156(8) Uani 1 1 d D . . . .
H57A H 0.480341 0.709513 0.882551 0.234 Uiso 1 1 calc R U . . .
H57B H 0.517959 0.738496 0.931521 0.234 Uiso 1 1 calc R U . . .
H57C H 0.462691 0.744482 0.923373 0.234 Uiso 1 1 calc R U . . .
C58 C 0.3649(3) 0.7768(5) 0.9830(3) 0.047(2) Uani 1 1 d . . . . .
H58A H 0.348092 0.813721 0.957715 0.057 Uiso 1 1 calc R U . . .
H58B H 0.398901 0.778917 0.987121 0.057 Uiso 1 1 calc R U . . .
C59 C 0.3576(4) 0.7984(6) 1.0282(4) 0.062(3) Uani 1 1 d . . . . .
H59A H 0.373291 0.759847 1.052921 0.074 Uiso 1 1 calc R U . . .
H59B H 0.323467 0.797527 1.023540 0.074 Uiso 1 1 calc R U . . .
C60 C 0.3771(4) 0.8771(7) 1.0451(4) 0.077(3) Uani 1 1 d . . . . .
H60A H 0.411307 0.877226 1.051725 0.116 Uiso 1 1 calc R U . . .
H60B H 0.370352 0.890202 1.074129 0.116 Uiso 1 1 calc R U . . .
H60C H 0.362317 0.915248 1.020320 0.116 Uiso 1 1 calc R U . . .
C61 C 0.1177(5) 0.6770(10) 0.9410(5) 0.111(5) Uani 1 1 d . . . . .
H61A H 0.105818 0.730574 0.938800 0.133 Uiso 1 1 calc R U . . .
H61B H 0.151603 0.677326 0.960360 0.133 Uiso 1 1 calc R U . . .
C62 C 0.0915(4) 0.6280(8) 0.9641(4) 0.081(3) Uani 1 1 d . . . . .
H62A H 0.089652 0.655734 0.992417 0.097 Uiso 1 1 calc R U . . .
H62B H 0.058887 0.622241 0.941781 0.097 Uiso 1 1 calc R U . . .
C63 C 0.1102(7) 0.5507(11) 0.9793(6) 0.143(7) Uani 1 1 d . . . . .
H63A H 0.112085 0.521816 0.951704 0.215 Uiso 1 1 calc R U . . .
H63B H 0.089287 0.523757 0.993143 0.215 Uiso 1 1 calc R U . . .
H63C H 0.141789 0.554995 1.003072 0.215 Uiso 1 1 calc R U . . .
C64 C 0.0931(3) 0.7905(5) 0.8058(3) 0.044(2) Uani 1 1 d . . . . .
H64A H 0.061297 0.773584 0.804553 0.053 Uiso 1 1 calc R U . . .
H64B H 0.099152 0.771162 0.777121 0.053 Uiso 1 1 calc R U . . .
C65 C 0.0966(4) 0.8785(5) 0.8082(3) 0.051(2) Uani 1 1 d . . . . .
H65A H 0.129899 0.894014 0.814777 0.061 Uiso 1 1 calc R U . . .
H65B H 0.077697 0.900356 0.776977 0.061 Uiso 1 1 calc R U . . .
C66 C 0.0794(4) 0.9103(6) 0.8459(3) 0.055(2) Uani 1 1 d . . . . .
H66A H 0.045271 0.902310 0.836809 0.082 Uiso 1 1 calc R U . . .
H66B H 0.086366 0.965519 0.849673 0.082 Uiso 1 1 calc R U . . .
H66C H 0.095301 0.883853 0.876102 0.082 Uiso 1 1 calc R U . . .
C67 C 0.2975(3) 0.3743(6) 0.9970(4) 0.064(3) Uani 1 1 d . . . . .
H67A H 0.297211 0.379884 1.029935 0.077 Uiso 1 1 calc R U . . .
H67B H 0.293189 0.426141 0.982277 0.077 Uiso 1 1 calc R U . . .
C68 C 0.3439(4) 0.3426(10) 0.9982(6) 0.118(6) Uani 1 1 d . . . . .
H68A H 0.348723 0.291832 1.014276 0.141 Uiso 1 1 calc R U . . .
H68B H 0.343389 0.334338 0.965151 0.141 Uiso 1 1 calc R U . . .
C69 C 0.3837(4) 0.3926(9) 1.0228(6) 0.111(5) Uani 1 1 d . . . . .
H69A H 0.379557 0.442710 1.006726 0.167 Uiso 1 1 calc R U . . .
H69B H 0.413101 0.368902 1.022239 0.167 Uiso 1 1 calc R U . . .
H69C H 0.385102 0.399822 1.055827 0.167 Uiso 1 1 calc R U . . .
C70 C 0.1551(3) 0.2778(5) 0.9364(3) 0.0379(18) Uani 1 1 d . . . . .
H70A H 0.135623 0.325067 0.931804 0.045 Uiso 1 1 calc R U . . .
H70B H 0.173106 0.272405 0.970755 0.045 Uiso 1 1 calc R U . . .
C71 C 0.1244(3) 0.2094(5) 0.9191(3) 0.047(2) Uani 1 1 d . . . . .
H71A H 0.107380 0.215250 0.884597 0.056 Uiso 1 1 calc R U . . .
H71B H 0.100604 0.207429 0.935382 0.056 Uiso 1 1 calc R U . . .
C72 C 0.1509(4) 0.1351(6) 0.9274(4) 0.064(3) Uani 1 1 d . . . . .
H72A H 0.177120 0.138800 0.914821 0.096 Uiso 1 1 calc R U . . .
H72B H 0.129728 0.093347 0.911189 0.096 Uiso 1 1 calc R U . . .
H72C H 0.163423 0.124430 0.961625 0.096 Uiso 1 1 calc R U . . .
O1 O 0.08395(18) 0.3902(3) 0.50408(17) 0.0325(12) Uani 1 1 d . . . . .
O2 O 0.1442(2) 0.3011(3) 0.5428(2) 0.0412(13) Uani 1 1 d . . . . .
O3 O 0.2084(2) 0.6909(3) 0.49455(19) 0.0447(14) Uani 1 1 d . . . . .
O4 O 0.2362(4) 0.7920(4) 0.5512(3) 0.100(3) Uani 1 1 d D . . . .
O5 O 0.04299(17) 0.7461(3) 0.58698(17) 0.0287(11) Uani 1 1 d . . . . .
O6 O 0.01577(16) 0.6868(3) 0.64797(17) 0.0264(10) Uani 1 1 d . . . . .
O7 O 0.03575(17) 0.2865(3) 0.72583(17) 0.0275(11) Uani 1 1 d . . . . .
O8 O 0.01729(17) 0.3943(3) 0.76992(17) 0.0264(11) Uani 1 1 d . . . . .
O9 O 0.26313(17) 0.1293(3) 0.71025(18) 0.0316(11) Uani 1 1 d . . . . .
O10 O 0.24046(19) 0.1030(3) 0.78042(19) 0.0325(12) Uani 1 1 d . . . . .
O11 O 0.3366(2) 0.3537(4) 0.57310(19) 0.0473(16) Uani 1 1 d . . . . .
O12 O 0.40031(19) 0.3194(3) 0.64688(19) 0.0397(13) Uani 1 1 d . . . . .
O13 O 0.48284(18) 0.3530(3) 0.8705(2) 0.0382(13) Uani 1 1 d . . . . .
O14 O 0.42284(18) 0.2553(3) 0.85934(18) 0.0339(12) Uani 1 1 d . . . . .
O15 O 0.46504(17) 0.6242(3) 0.72126(18) 0.0313(11) Uani 1 1 d . . . . .
O16 O 0.44860(19) 0.7320(3) 0.7650(2) 0.0409(14) Uani 1 1 d . . . . .
O17 O 0.2958(2) 0.8846(4) 0.7794(2) 0.0572(17) Uani 1 1 d . . . . .
O18 O 0.2237(3) 0.9422(3) 0.7243(2) 0.0578(17) Uani 1 1 d . . . . .
O19 O 0.41300(18) 0.6536(3) 0.94667(19) 0.0381(13) Uani 1 1 d . . . . .
O20 O 0.34685(19) 0.6987(3) 0.9693(2) 0.0412(13) Uani 1 1 d . . . . .
O21 O 0.1121(3) 0.6497(7) 0.8965(3) 0.101(3) Uani 1 1 d . . . . .
O22 O 0.1277(3) 0.7624(4) 0.8475(3) 0.089(3) Uani 1 1 d . . . . .
O23 O 0.25918(19) 0.3262(3) 0.97079(18) 0.0349(12) Uani 1 1 d . . . . .
O24 O 0.18733(17) 0.2830(3) 0.90929(17) 0.0284(11) Uani 1 1 d . . . . .
P1 P 0.12536(7) 0.38270(11) 0.55312(7) 0.0262(4) Uani 1 1 d . . . . .
P2 P 0.21734(8) 0.70828(12) 0.54899(7) 0.0349(5) Uani 1 1 d . . . . .
P3 P 0.06034(6) 0.68960(10) 0.63055(6) 0.0218(4) Uani 1 1 d . . . . .
P4 P 0.05810(6) 0.36418(10) 0.75229(6) 0.0199(4) Uani 1 1 d . . . . .
P5 P 0.25272(7) 0.17267(10) 0.75203(7) 0.0263(4) Uani 1 1 d . . . . .
P6 P 0.35054(7) 0.35951(13) 0.62922(7) 0.0353(5) Uani 1 1 d . . . . .
P7 P 0.42868(6) 0.33965(11) 0.84267(7) 0.0281(4) Uani 1 1 d . . . . .
P8 P 0.42513(6) 0.65408(11) 0.74000(7) 0.0290(4) Uani 1 1 d . . . . .
P9 P 0.24370(8) 0.86267(11) 0.74418(8) 0.0347(5) Uani 1 1 d . . . . .
P10 P 0.35715(7) 0.65631(12) 0.92733(7) 0.0332(5) Uani 1 1 d . . . . .
P11 P 0.14018(8) 0.67581(13) 0.86231(7) 0.0384(5) Uani 1 1 d . . . . .
P12 P 0.22639(7) 0.34667(10) 0.91854(6) 0.0247(4) Uani 1 1 d . . . . .
Pd1 Pd 0.24119(2) 0.51966(3) 0.73741(2) 0.01493(10) Uani 1 1 d . . . . .
S1 S 0.10435(7) 0.38171(10) 0.60885(6) 0.0282(4) Uani 1 1 d . . . . .
S2 S 0.17588(6) 0.46235(10) 0.55744(6) 0.0253(4) Uani 1 1 d . . . . .
S3 S 0.15444(7) 0.71765(11) 0.55895(7) 0.0336(4) Uani 1 1 d . . . . .
S4 S 0.26500(8) 0.63751(19) 0.58887(8) 0.0611(8) Uani 1 1 d . . . . .
S5 S 0.07216(6) 0.58198(10) 0.61297(6) 0.0254(4) Uani 1 1 d . . . . .
S6 S 0.11381(6) 0.74016(10) 0.68073(6) 0.0275(4) Uani 1 1 d . . . . .
S7 S 0.06767(6) 0.44017(10) 0.70755(6) 0.0250(4) Uani 1 1 d . . . . .
S8 S 0.11294(6) 0.33563(10) 0.81090(6) 0.0278(4) Uani 1 1 d . . . . .
S9 S 0.19391(7) 0.23295(10) 0.71996(7) 0.0309(4) Uani 1 1 d . . . . .
S10 S 0.30741(7) 0.22986(11) 0.79476(7) 0.0319(4) Uani 1 1 d . . . . .
S11 S 0.30219(7) 0.30006(13) 0.64768(7) 0.0401(5) Uani 1 1 d . . . . .
S12 S 0.35935(8) 0.46957(12) 0.64931(8) 0.0388(5) Uani 1 1 d . . . . .
S13 S 0.42084(6) 0.32947(11) 0.77291(7) 0.0303(4) Uani 1 1 d . . . . .
S14 S 0.38998(7) 0.41562(12) 0.86249(7) 0.0363(5) Uani 1 1 d . . . . .
S15 S 0.42277(7) 0.57852(11) 0.79030(7) 0.0339(4) Uani 1 1 d . . . . .
S16 S 0.36441(7) 0.67314(13) 0.68924(8) 0.0436(5) Uani 1 1 d . . . . .
S17 S 0.20368(7) 0.81464(11) 0.77819(7) 0.0351(4) Uani 1 1 d . . . . .
S18 S 0.25965(7) 0.79953(11) 0.69585(8) 0.0382(5) Uani 1 1 d . . . . .
S19 S 0.33690(7) 0.71830(12) 0.86704(8) 0.0386(5) Uani 1 1 d . . . . .
S20 S 0.33307(7) 0.54871(12) 0.92267(8) 0.0442(5) Uani 1 1 d . . . . .
S21 S 0.11601(7) 0.60626(11) 0.80643(7) 0.0311(4) Uani 1 1 d . . . . .
S22 S 0.20952(7) 0.68139(11) 0.89975(7) 0.0360(4) Uani 1 1 d . . . . .
S23 S 0.19911(7) 0.45239(10) 0.92030(6) 0.0287(4) Uani 1 1 d . . . . .
S24 S 0.25911(7) 0.32449(10) 0.87175(7) 0.0285(4) Uani 1 1 d . . . . .
C73 C 0.4503(5) 0.0775(9) 0.0679(5) 0.101(5) Uani 1 1 d . . . . .
H73A H 0.435734 0.121163 0.047407 0.152 Uiso 1 1 calc R U . . .
H73B H 0.461156 0.094181 0.101256 0.152 Uiso 1 1 calc R U . . .
H73C H 0.426991 0.036184 0.063555 0.152 Uiso 1 1 calc R U . . .
C75 C 0.4801(4) 0.0120(7) 0.0083(4) 0.070(3) Uani 1 1 d . . . . .
H75A H 0.459925 0.048211 -0.015564 0.084 Uiso 1 1 calc R U . . .
H75B H 0.460804 -0.034200 0.008236 0.084 Uiso 1 1 calc R U . . .
C74 C 0.4917(5) 0.0483(8) 0.0549(5) 0.090(4) Uani 1 1 d . . . . .
H74A H 0.513228 0.092104 0.056239 0.108 Uiso 1 1 calc R U . . .
H74B H 0.509246 0.010558 0.079353 0.108 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'
Ag Ag -0.8971 1.1015 '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'
Pd Pd -0.9988 1.0072 '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'
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_3
S1 Ag1 S2 76.57(5) .
S1 Ag1 Pd1 142.66(4) .
S2 Ag1 Pd1 139.94(4) .
S1 Ag1 Ag2 83.68(4) .
S2 Ag1 Ag2 157.19(4) .
Pd1 Ag1 Ag2 58.992(17) .
S1 Ag1 Ag6 105.37(4) .
S2 Ag1 Ag6 134.85(4) .
Pd1 Ag1 Ag6 57.930(17) .
Ag2 Ag1 Ag6 61.531(17) .
S1 Ag1 Ag4 148.05(4) .
S2 Ag1 Ag4 83.83(4) .
Pd1 Ag1 Ag4 57.776(17) .
Ag2 Ag1 Ag4 108.30(2) .
Ag6 Ag1 Ag4 106.35(2) .
S1 Ag1 Ag3 104.79(4) .
S2 Ag1 Ag3 113.67(4) .
Pd1 Ag1 Ag3 59.389(16) .
Ag2 Ag1 Ag3 60.471(17) .
Ag6 Ag1 Ag3 109.33(2) .
Ag4 Ag1 Ag3 60.629(17) .
S1 Ag1 Ag19 85.50(4) .
S2 Ag1 Ag19 52.97(4) .
Pd1 Ag1 Ag19 109.63(2) .
Ag2 Ag1 Ag19 114.76(2) .
Ag6 Ag1 Ag19 167.48(2) .
Ag4 Ag1 Ag19 62.555(17) .
Ag3 Ag1 Ag19 60.965(17) .
S1 Ag1 Ag5 146.51(4) .
S2 Ag1 Ag5 95.19(4) .
Pd1 Ag1 Ag5 57.192(17) .
Ag2 Ag1 Ag5 107.60(2) .
Ag6 Ag1 Ag5 57.966(17) .
Ag4 Ag1 Ag5 59.334(17) .
Ag3 Ag1 Ag5 108.19(2) .
Ag19 Ag1 Ag5 115.63(2) .
S7 Ag2 Pd1 156.26(4) .
S7 Ag2 Ag1 110.53(4) .
Pd1 Ag2 Ag1 59.363(17) .
S7 Ag2 Ag7 113.43(5) .
Pd1 Ag2 Ag7 56.998(17) .
Ag1 Ag2 Ag7 107.41(2) .
S7 Ag2 Ag3 96.78(4) .
Pd1 Ag2 Ag3 59.481(16) .
Ag1 Ag2 Ag3 60.399(17) .
Ag7 Ag2 Ag3 59.670(17) .
S7 Ag2 Ag6 139.46(5) .
Pd1 Ag2 Ag6 57.365(16) .
Ag1 Ag2 Ag6 59.533(17) .
Ag7 Ag2 Ag6 106.81(2) .
Ag3 Ag2 Ag6 107.70(2) .
S7 Ag2 Ag11 141.99(4) .
Pd1 Ag2 Ag11 56.161(16) .
Ag1 Ag2 Ag11 106.78(2) .
Ag7 Ag2 Ag11 60.076(16) .
Ag3 Ag2 Ag11 107.77(2) .
Ag6 Ag2 Ag11 58.845(17) .
S7 Ag2 Ag18 100.03(4) .
Pd1 Ag2 Ag18 103.71(2) .
Ag1 Ag2 Ag18 113.65(2) .
Ag7 Ag2 Ag18 111.83(2) .
Ag3 Ag2 Ag18 163.16(2) .
Ag6 Ag2 Ag18 59.045(17) .
Ag11 Ag2 Ag18 57.324(17) .
S7 Ag2 Ag17 84.76(4) .
Pd1 Ag2 Ag17 104.27(2) .
Ag1 Ag2 Ag17 163.63(2) .
Ag7 Ag2 Ag17 59.320(17) .
Ag3 Ag2 Ag17 113.48(2) .
Ag6 Ag2 Ag17 112.73(2) .
Ag11 Ag2 Ag17 59.166(17) .
Ag18 Ag2 Ag17 67.448(18) .
S5 Ag3 S6 75.16(5) .
S5 Ag3 Pd1 143.62(4) .
S6 Ag3 Pd1 141.22(4) .
S5 Ag3 Ag7 137.56(4) .
S6 Ag3 Ag7 96.59(4) .
Pd1 Ag3 Ag7 56.662(16) .
S5 Ag3 Ag1 86.32(4) .
S6 Ag3 Ag1 156.82(4) .
Pd1 Ag3 Ag1 58.526(16) .
Ag7 Ag3 Ag1 106.52(2) .
S5 Ag3 Ag2 97.36(4) .
S6 Ag3 Ag2 136.11(4) .
Pd1 Ag3 Ag2 58.254(16) .
Ag7 Ag3 Ag2 59.798(17) .
Ag1 Ag3 Ag2 59.130(17) .
S5 Ag3 Ag8 154.85(4) .
S6 Ag3 Ag8 85.78(4) .
Pd1 Ag3 Ag8 57.249(17) .
Ag7 Ag3 Ag8 59.887(17) .
Ag1 Ag3 Ag8 107.16(2) .
Ag2 Ag3 Ag8 107.77(2) .
S5 Ag3 Ag4 115.10(4) .
S6 Ag3 Ag4 115.93(4) .
Pd1 Ag3 Ag4 57.181(16) .
Ag7 Ag3 Ag4 106.00(2) .
Ag1 Ag3 Ag4 59.653(17) .
Ag2 Ag3 Ag4 106.48(2) .
Ag8 Ag3 Ag4 58.982(18) .
S5 Ag3 Ag20 93.26(4) .
S6 Ag3 Ag20 52.71(4) .
Pd1 Ag3 Ag20 109.63(2) .
Ag7 Ag3 Ag20 114.93(2) .
Ag1 Ag3 Ag20 116.08(2) .
Ag2 Ag3 Ag20 167.89(2) .
Ag8 Ag3 Ag20 61.860(18) .
Ag4 Ag3 Ag20 63.394(18) .
S5 Ag3 Ag19 53.01(4) .
S6 Ag3 Ag19 96.66(4) .
Pd1 Ag3 Ag19 108.65(2) .
Ag7 Ag3 Ag19 165.27(2) .
Ag1 Ag3 Ag19 60.625(17) .
Ag2 Ag3 Ag19 113.28(2) .
Ag8 Ag3 Ag19 114.84(2) .
Ag4 Ag3 Ag19 62.109(18) .
Ag20 Ag3 Ag19 68.976(18) .
S4 Ag4 Pd1 160.83(6) .
S4 Ag4 Ag8 129.00(8) .
Pd1 Ag4 Ag8 58.520(17) .
S4 Ag4 Ag1 121.54(8) .
Pd1 Ag4 Ag1 59.307(17) .
Ag8 Ag4 Ag1 108.43(2) .
S4 Ag4 Ag5 103.85(7) .
Pd1 Ag4 Ag5 58.494(17) .
Ag8 Ag4 Ag5 108.28(2) .
Ag1 Ag4 Ag5 61.737(17) .
S4 Ag4 Ag9 106.52(6) .
Pd1 Ag4 Ag9 59.643(17) .
Ag8 Ag4 Ag9 60.600(18) .
Ag1 Ag4 Ag9 110.64(2) .
Ag5 Ag4 Ag9 60.352(18) .
S4 Ag4 Ag3 139.16(6) .
Pd1 Ag4 Ag3 59.545(17) .
Ag8 Ag4 Ag3 60.502(18) .
Ag1 Ag4 Ag3 59.718(17) .
Ag5 Ag4 Ag3 109.38(2) .
Ag9 Ag4 Ag3 110.21(2) .
S4 Ag4 Ag19 84.99(6) .
Pd1 Ag4 Ag19 108.63(2) .
Ag8 Ag4 Ag19 114.09(2) .
Ag1 Ag4 Ag19 59.827(17) .
Ag5 Ag4 Ag19 115.33(2) .
Ag9 Ag4 Ag19 168.26(2) .
Ag3 Ag4 Ag19 59.752(17) .
S4 Ag4 Ag20 89.79(7) .
Pd1 Ag4 Ag20 107.83(2) .
Ag8 Ag4 Ag20 60.740(18) .
Ag1 Ag4 Ag20 112.15(2) .
Ag5 Ag4 Ag20 166.31(2) .
Ag9 Ag4 Ag20 114.97(2) .
Ag3 Ag4 Ag20 58.862(17) .
Ag19 Ag4 Ag20 66.413(18) .
S12 Ag5 Pd1 143.81(5) .
S12 Ag5 Ag6 153.36(5) .
Pd1 Ag5 Ag6 58.704(17) .
S12 Ag5 Ag4 99.41(5) .
Pd1 Ag5 Ag4 57.924(17) .
Ag6 Ag5 Ag4 107.07(2) .
S12 Ag5 Ag10 112.22(5) .
Pd1 Ag5 Ag10 58.250(17) .
Ag6 Ag5 Ag10 62.898(18) .
Ag4 Ag5 Ag10 107.07(2) .
S12 Ag5 S11 75.31(6) .
Pd1 Ag5 S11 140.39(5) .
Ag6 Ag5 S11 81.99(5) .
Ag4 Ag5 S11 141.63(5) .
Ag10 Ag5 S11 110.05(5) .
S12 Ag5 Ag9 85.31(5) .
Pd1 Ag5 Ag9 59.335(17) .
Ag6 Ag5 Ag9 110.36(2) .
Ag4 Ag5 Ag9 60.001(18) .
Ag10 Ag5 Ag9 59.571(18) .
S11 Ag5 Ag9 152.54(5) .
S12 Ag5 Ag1 137.82(5) .
Pd1 Ag5 Ag1 58.114(17) .
Ag6 Ag5 Ag1 59.262(17) .
Ag4 Ag5 Ag1 58.929(17) .
Ag10 Ag5 Ag1 108.89(2) .
S11 Ag5 Ag1 99.31(5) .
Ag9 Ag5 Ag1 108.09(2) .
S12 Ag5 Ag13 92.87(5) .
Pd1 Ag5 Ag13 107.36(2) .
Ag6 Ag5 Ag13 61.447(17) .
Ag4 Ag5 Ag13 165.26(2) .
Ag10 Ag5 Ag13 60.242(17) .
S11 Ag5 Ag13 49.83(4) .
Ag9 Ag5 Ag13 113.43(2) .
Ag1 Ag5 Ag13 115.81(2) .
S12 Ag5 Ag14 51.91(5) .
Pd1 Ag5 Ag14 109.24(2) .
Ag6 Ag5 Ag14 115.88(2) .
Ag4 Ag5 Ag14 115.78(2) .
Ag10 Ag5 Ag14 60.368(18) .
S11 Ag5 Ag14 91.16(4) .
Ag9 Ag5 Ag14 61.435(18) .
Ag1 Ag5 Ag14 167.35(2) .
Ag13 Ag5 Ag14 66.111(18) .
S9 Ag6 Pd1 152.49(5) .
S9 Ag6 Ag5 139.52(5) .
Pd1 Ag6 Ag5 59.368(17) .
S9 Ag6 Ag1 106.93(5) .
Pd1 Ag6 Ag1 59.548(17) .
Ag5 Ag6 Ag1 62.773(18) .
S9 Ag6 Ag11 113.14(5) .
Pd1 Ag6 Ag11 57.443(16) .
Ag5 Ag6 Ag11 107.07(2) .
Ag1 Ag6 Ag11 108.39(2) .
S9 Ag6 Ag18 54.98(5) .
Pd1 Ag6 Ag18 106.53(2) .
Ag5 Ag6 Ag18 165.33(2) .
Ag1 Ag6 Ag18 115.27(2) .
Ag11 Ag6 Ag18 58.914(18) .
S9 Ag6 Ag2 93.95(5) .
Pd1 Ag6 Ag2 58.581(16) .
Ag5 Ag6 Ag2 109.36(2) .
Ag1 Ag6 Ag2 58.936(17) .
Ag11 Ag6 Ag2 61.454(17) .
Ag18 Ag6 Ag2 61.429(18) .
S9 Ag6 Ag10 143.79(5) .
Pd1 Ag6 Ag10 57.320(16) .
Ag5 Ag6 Ag10 59.682(17) .
Ag1 Ag6 Ag10 109.11(2) .
Ag11 Ag6 Ag10 57.788(17) .
Ag18 Ag6 Ag10 110.48(2) .
Ag2 Ag6 Ag10 107.48(2) .
S9 Ag6 Ag13 98.95(5) .
Pd1 Ag6 Ag13 108.56(2) .
Ag5 Ag6 Ag13 62.314(18) .
Ag1 Ag6 Ag13 119.76(2) .
Ag11 Ag6 Ag13 109.50(2) .
Ag18 Ag6 Ag13 124.12(2) .
Ag2 Ag6 Ag13 166.59(2) .
Ag10 Ag6 Ag13 59.544(17) .
S21 Ag7 Pd1 150.92(5) .
S21 Ag7 Ag3 100.82(5) .
Pd1 Ag7 Ag3 60.690(17) .
S21 Ag7 Ag2 92.02(5) .
Pd1 Ag7 Ag2 59.778(17) .
Ag3 Ag7 Ag2 60.533(17) .
S21 Ag7 Ag8 134.79(5) .
Pd1 Ag7 Ag8 58.818(18) .
Ag3 Ag7 Ag8 60.898(17) .
Ag2 Ag7 Ag8 109.16(2) .
S21 Ag7 Ag17 56.98(5) .
Pd1 Ag7 Ag17 109.10(2) .
Ag3 Ag7 Ag17 117.25(2) .
Ag2 Ag7 Ag17 62.680(18) .
Ag8 Ag7 Ag17 167.62(2) .
S21 Ag7 Ag11 117.67(5) .
Pd1 Ag7 Ag11 57.543(17) .
Ag3 Ag7 Ag11 109.81(2) .
Ag2 Ag7 Ag11 61.790(17) .
Ag8 Ag7 Ag11 107.53(2) .
Ag17 Ag7 Ag11 60.793(17) .
S21 Ag7 Ag12 148.13(5) .
Pd1 Ag7 Ag12 58.586(17) .
Ag3 Ag7 Ag12 109.75(2) .
Ag2 Ag7 Ag12 110.50(2) .
Ag8 Ag7 Ag12 59.532(18) .
Ag17 Ag7 Ag12 113.11(2) .
Ag11 Ag7 Ag12 60.088(17) .
S21 Ag7 Ag16 90.86(5) .
Pd1 Ag7 Ag16 106.07(2) .
Ag3 Ag7 Ag16 166.71(2) .
Ag2 Ag7 Ag16 113.21(2) .
Ag8 Ag7 Ag16 114.56(2) .
Ag17 Ag7 Ag16 64.179(18) .
Ag11 Ag7 Ag16 58.420(17) .
Ag12 Ag7 Ag16 60.044(18) .
S21 Ag7 Ag15 100.44(5) .
Pd1 Ag7 Ag15 107.82(2) .
Ag3 Ag7 Ag15 116.04(2) .
Ag2 Ag7 Ag15 167.54(2) .
Ag8 Ag7 Ag15 61.426(19) .
Ag17 Ag7 Ag15 124.96(2) .
Ag11 Ag7 Ag15 111.65(2) .
Ag12 Ag7 Ag15 58.266(18) .
Ag16 Ag7 Ag15 67.290(19) .
S18 Ag8 Pd1 142.75(5) .
S18 Ag8 Ag4 85.33(5) .
Pd1 Ag8 Ag4 58.425(17) .
S18 Ag8 Ag7 154.55(5) .
Pd1 Ag8 Ag7 57.133(17) .
Ag4 Ag8 Ag7 106.68(2) .
S18 Ag8 Ag12 137.08(5) .
Pd1 Ag8 Ag12 58.751(17) .
Ag4 Ag8 Ag12 108.08(2) .
Ag7 Ag8 Ag12 61.353(18) .
S18 Ag8 Ag3 112.09(5) .
Pd1 Ag8 Ag3 59.521(17) .
Ag4 Ag8 Ag3 60.516(17) .
Ag7 Ag8 Ag3 59.214(17) .
Ag12 Ag8 Ag3 109.87(2) .
S18 Ag8 Ag9 96.82(5) .
Pd1 Ag8 Ag9 59.529(17) .
Ag4 Ag8 Ag9 60.369(18) .
Ag7 Ag8 Ag9 108.62(2) .
Ag12 Ag8 Ag9 59.974(18) .
Ag3 Ag8 Ag9 110.04(2) .
S18 Ag8 Ag15 110.14(5) .
Pd1 Ag8 Ag15 105.79(2) .
Ag4 Ag8 Ag15 164.21(2) .
Ag7 Ag8 Ag15 60.547(18) .
Ag12 Ag8 Ag15 58.541(18) .
Ag3 Ag8 Ag15 113.77(2) .
Ag9 Ag8 Ag15 112.79(2) .
S18 Ag8 Ag20 52.55(5) .
Pd1 Ag8 Ag20 109.67(2) .
Ag4 Ag8 Ag20 63.110(18) .
Ag7 Ag8 Ag20 112.40(2) .
Ag12 Ag8 Ag20 168.34(2) .
Ag3 Ag8 Ag20 59.652(17) .
Ag9 Ag8 Ag20 116.86(2) .
Ag15 Ag8 Ag20 128.66(2) .
S16 Ag9 S15 76.89(6) .
S16 Ag9 Pd1 143.26(5) .
S15 Ag9 Pd1 138.66(5) .
S16 Ag9 Ag10 148.58(5) .
S15 Ag9 Ag10 81.88(4) .
Pd1 Ag9 Ag10 57.778(17) .
S16 Ag9 Ag12 145.28(6) .
S15 Ag9 Ag12 95.36(5) .
Pd1 Ag9 Ag12 57.934(17) .
Ag10 Ag9 Ag12 59.058(17) .
S16 Ag9 Ag4 86.06(5) .
S15 Ag9 Ag4 157.67(5) .
Pd1 Ag9 Ag4 57.236(17) .
Ag10 Ag9 Ag4 107.02(2) .
Ag12 Ag9 Ag4 106.81(2) .
S16 Ag9 Ag8 104.78(5) .
S15 Ag9 Ag8 139.25(5) .
Pd1 Ag9 Ag8 57.223(17) .
Ag10 Ag9 Ag8 106.43(2) .
Ag12 Ag9 Ag8 59.707(18) .
Ag4 Ag9 Ag8 59.031(18) .
S16 Ag9 Ag5 107.42(6) .
S15 Ag9 Ag5 111.77(5) .
Pd1 Ag9 Ag5 57.505(17) .
Ag10 Ag9 Ag5 59.864(18) .
Ag12 Ag9 Ag5 106.87(2) .
Ag4 Ag9 Ag5 59.647(17) .
Ag8 Ag9 Ag5 106.49(2) .
S16 Ag9 Ag14 87.98(5) .
S15 Ag9 Ag14 50.11(4) .
Pd1 Ag9 Ag14 108.12(2) .
Ag10 Ag9 Ag14 60.604(18) .
Ag12 Ag9 Ag14 113.14(2) .
Ag4 Ag9 Ag14 115.84(2) .
Ag8 Ag9 Ag14 165.30(2) .
Ag5 Ag9 Ag14 61.855(18) .
S14 Ag10 Pd1 153.12(5) .
S14 Ag10 Ag11 103.24(5) .
Pd1 Ag10 Ag11 57.916(17) .
S14 Ag10 Ag12 95.93(5) .
Pd1 Ag10 Ag12 59.136(17) .
Ag11 Ag10 Ag12 62.133(18) .
S14 Ag10 Ag9 119.39(6) .
Pd1 Ag10 Ag9 59.727(17) .
Ag11 Ag10 Ag9 109.97(2) .
Ag12 Ag10 Ag9 60.739(18) .
S14 Ag10 Ag5 147.64(5) .
Pd1 Ag10 Ag5 58.343(17) .
Ag11 Ag10 Ag5 106.65(2) .
Ag12 Ag10 Ag5 108.75(2) .
Ag9 Ag10 Ag5 60.565(18) .
S14 Ag10 Ag13 95.78(5) .
Pd1 Ag10 Ag13 108.70(2) .
Ag11 Ag10 Ag13 111.58(2) .
Ag12 Ag10 Ag13 167.78(2) .
Ag9 Ag10 Ag13 115.67(2) .
Ag5 Ag10 Ag13 61.800(18) .
S14 Ag10 Ag6 133.80(6) .
Pd1 Ag10 Ag6 56.793(16) .
Ag11 Ag10 Ag6 59.535(17) .
Ag12 Ag10 Ag6 108.62(2) .
Ag9 Ag10 Ag6 106.77(2) .
Ag5 Ag10 Ag6 57.420(17) .
Ag13 Ag10 Ag6 60.233(17) .
S14 Ag10 Ag14 87.84(5) .
Pd1 Ag10 Ag14 111.34(2) .
Ag11 Ag10 Ag14 168.87(2) .
Ag12 Ag10 Ag14 116.37(2) .
Ag9 Ag10 Ag14 62.608(18) .
Ag5 Ag10 Ag14 62.788(18) .
Ag13 Ag10 Ag14 67.554(19) .
Ag6 Ag10 Ag14 113.24(2) .
S24 Ag11 Pd1 154.22(5) .
S24 Ag11 Ag10 102.68(5) .
Pd1 Ag11 Ag10 59.377(17) .
S24 Ag11 Ag18 60.23(5) .
Pd1 Ag11 Ag18 108.76(2) .
Ag10 Ag11 Ag18 116.38(2) .
S24 Ag11 Ag16 96.12(5) .
Pd1 Ag11 Ag16 107.91(2) .
Ag10 Ag11 Ag16 113.92(2) .
Ag18 Ag11 Ag16 127.79(2) .
S24 Ag11 Ag6 97.83(5) .
Pd1 Ag11 Ag6 58.317(17) .
Ag10 Ag11 Ag6 62.677(17) .
Ag18 Ag11 Ag6 60.741(18) .
Ag16 Ag11 Ag6 166.04(2) .
S24 Ag11 Ag7 147.77(5) .
Pd1 Ag11 Ag7 56.918(17) .
Ag10 Ag11 Ag7 107.43(2) .
Ag18 Ag11 Ag7 113.76(2) .
Ag16 Ag11 Ag7 61.255(18) .
Ag6 Ag11 Ag7 105.94(2) .
S24 Ag11 Ag12 131.24(5) .
Pd1 Ag11 Ag12 58.494(17) .
Ag10 Ag11 Ag12 59.095(17) .
Ag18 Ag11 Ag12 167.25(2) .
Ag16 Ag11 Ag12 61.069(18) .
Ag6 Ag11 Ag12 108.71(2) .
Ag7 Ag11 Ag12 60.335(17) .
S24 Ag11 Ag17 91.11(4) .
Pd1 Ag11 Ag17 107.31(2) .
Ag10 Ag11 Ag17 166.19(2) .
Ag18 Ag11 Ag17 69.756(19) .
Ag16 Ag11 Ag17 64.656(18) .
Ag6 Ag11 Ag17 115.06(2) .
Ag7 Ag11 Ag17 59.298(17) .
Ag12 Ag11 Ag17 112.03(2) .
S24 Ag11 Ag2 120.97(5) .
Pd1 Ag11 Ag2 58.191(17) .
Ag10 Ag11 Ag2 109.95(2) .
Ag18 Ag11 Ag2 61.419(18) .
Ag16 Ag11 Ag2 112.49(2) .
Ag6 Ag11 Ag2 59.701(17) .
Ag7 Ag11 Ag2 58.134(16) .
Ag12 Ag11 Ag2 107.75(2) .
Ag17 Ag11 Ag2 60.904(17) .
S19 Ag12 Pd1 145.85(5) .
S19 Ag12 Ag10 138.63(5) .
Pd1 Ag12 Ag10 58.636(17) .
S19 Ag12 Ag15 53.27(5) .
Pd1 Ag12 Ag15 108.10(2) .
Ag10 Ag12 Ag15 166.60(3) .
S19 Ag12 S20 74.25(6) .
Pd1 Ag12 S20 139.33(5) .
Ag10 Ag12 S20 97.28(5) .
Ag15 Ag12 S20 92.42(5) .
S19 Ag12 Ag8 88.56(5) .
Pd1 Ag12 Ag8 57.877(17) .
Ag10 Ag12 Ag8 107.81(2) .
Ag15 Ag12 Ag8 62.28(2) .
S20 Ag12 Ag8 154.69(5) .
S19 Ag12 Ag9 100.47(5) .
Pd1 Ag12 Ag9 59.380(18) .
Ag10 Ag12 Ag9 60.203(18) .
Ag15 Ag12 Ag9 116.43(2) .
S20 Ag12 Ag9 140.13(5) .
Ag8 Ag12 Ag9 60.319(19) .
S19 Ag12 Ag11 152.53(5) .
Pd1 Ag12 Ag11 56.619(16) .
Ag10 Ag12 Ag11 58.772(17) .
Ag15 Ag12 Ag11 113.65(2) .
S20 Ag12 Ag11 83.17(5) .
Ag8 Ag12 Ag11 106.79(2) .
Ag9 Ag12 Ag11 106.90(2) .
S19 Ag12 Ag7 114.32(5) .
Pd1 Ag12 Ag7 56.100(16) .
Ag10 Ag12 Ag7 106.56(2) .
Ag15 Ag12 Ag7 61.062(18) .
S20 Ag12 Ag7 110.97(5) .
Ag8 Ag12 Ag7 59.115(17) .
Ag9 Ag12 Ag7 107.14(2) .
Ag11 Ag12 Ag7 59.577(16) .
S19 Ag12 Ag16 94.86(5) .
Pd1 Ag12 Ag16 104.11(2) .
Ag10 Ag12 Ag16 111.13(2) .
Ag15 Ag12 Ag16 68.37(2) .
S20 Ag12 Ag16 50.92(5) .
Ag8 Ag12 Ag16 114.18(2) .
Ag9 Ag12 Ag16 163.39(2) .
Ag11 Ag12 Ag16 58.258(17) .
Ag7 Ag12 Ag16 60.049(18) .
S10 Ag13 S11 129.29(7) .
S10 Ag13 S13 107.97(7) .
S11 Ag13 S13 115.26(7) .
S10 Ag13 Ag10 88.14(5) .
S11 Ag13 Ag10 120.65(6) .
S13 Ag13 Ag10 84.01(5) .
S10 Ag13 Ag6 72.94(5) .
S11 Ag13 Ag6 86.06(5) .
S13 Ag13 Ag6 144.23(5) .
Ag10 Ag13 Ag6 60.224(17) .
S10 Ag13 Ag5 127.73(5) .
S11 Ag13 Ag5 62.73(6) .
S13 Ag13 Ag5 106.52(5) .
Ag10 Ag13 Ag5 57.958(17) .
Ag6 Ag13 Ag5 56.240(16) .
S10 Ag13 Ag14 136.06(5) .
S11 Ag13 Ag14 93.42(6) .
S13 Ag13 Ag14 48.74(4) .
Ag10 Ag13 Ag14 56.809(17) .
Ag6 Ag13 Ag14 104.89(2) .
Ag5 Ag13 Ag14 57.890(17) .
S15 Ag14 S13 120.36(7) .
S15 Ag14 S12 122.76(7) .
S13 Ag14 S12 115.79(7) .
S15 Ag14 Ag10 84.76(5) .
S13 Ag14 Ag10 83.42(5) .
S12 Ag14 Ag10 112.30(5) .
S15 Ag14 Ag9 59.47(5) .
S13 Ag14 Ag9 140.17(5) .
S12 Ag14 Ag9 84.35(5) .
Ag10 Ag14 Ag9 56.788(17) .
S15 Ag14 Ag5 115.96(5) .
S13 Ag14 Ag5 105.02(5) .
S12 Ag14 Ag5 55.50(5) .
Ag10 Ag14 Ag5 56.844(17) .
Ag9 Ag14 Ag5 56.710(17) .
S15 Ag14 Ag13 138.09(5) .
S13 Ag14 Ag13 49.13(4) .
S12 Ag14 Ag13 88.16(5) .
Ag10 Ag14 Ag13 55.637(16) .
Ag9 Ag14 Ag13 101.73(2) .
Ag5 Ag14 Ag13 55.999(16) .
S17 Ag15 S19 120.22(7) .
S17 Ag15 S22 115.66(7) .
S19 Ag15 S22 116.39(7) .
S17 Ag15 Ag12 126.20(6) .
S19 Ag15 Ag12 60.49(5) .
S22 Ag15 Ag12 106.54(5) .
S17 Ag15 Ag7 93.75(5) .
S19 Ag15 Ag7 121.15(5) .
S22 Ag15 Ag7 81.23(5) .
Ag12 Ag15 Ag7 60.672(18) .
S17 Ag15 Ag8 67.09(5) .
S19 Ag15 Ag8 90.81(5) .
S22 Ag15 Ag8 139.02(5) .
Ag12 Ag15 Ag8 59.180(19) .
Ag7 Ag15 Ag8 58.027(18) .
S17 Ag15 Ag16 145.74(5) .
S19 Ag15 Ag16 91.71(5) .
S22 Ag15 Ag16 49.69(4) .
Ag12 Ag15 Ag16 56.916(18) .
Ag7 Ag15 Ag16 56.253(17) .
Ag8 Ag15 Ag16 103.21(2) .
S20 Ag16 S22 113.78(7) .
S20 Ag16 S23 116.83(7) .
S22 Ag16 S23 104.73(7) .
S20 Ag16 Ag11 91.80(6) .
S22 Ag16 Ag11 141.71(5) .
S23 Ag16 Ag11 86.53(4) .
S20 Ag16 Ag12 63.34(6) .
S22 Ag16 Ag12 104.63(5) .
S23 Ag16 Ag12 146.80(5) .
Ag11 Ag16 Ag12 60.674(18) .
S20 Ag16 Ag7 123.25(6) .
S22 Ag16 Ag7 81.55(5) .
S23 Ag16 Ag7 109.99(5) .
Ag11 Ag16 Ag7 60.325(17) .
Ag12 Ag16 Ag7 59.908(18) .
S20 Ag16 Ag17 147.41(5) .
S22 Ag16 Ag17 98.72(5) .
S23 Ag16 Ag17 52.88(4) .
Ag11 Ag16 Ag17 58.961(18) .
Ag12 Ag16 Ag17 107.30(2) .
Ag7 Ag16 Ag17 57.210(17) .
S20 Ag16 Ag15 91.05(5) .
S22 Ag16 Ag15 49.99(5) .
S23 Ag16 Ag15 149.92(5) .
Ag11 Ag16 Ag15 104.64(2) .
Ag12 Ag16 Ag15 54.712(18) .
Ag7 Ag16 Ag15 56.457(17) .
Ag17 Ag16 Ag15 109.03(2) .
S8 Ag17 S23 101.31(6) .
S8 Ag17 S21 130.02(6) .
S23 Ag17 S21 114.87(6) .
S8 Ag17 Ag7 139.36(5) .
S23 Ag17 Ag7 111.40(5) .
S21 Ag17 Ag7 54.75(5) .
S8 Ag17 Ag11 101.42(5) .
S23 Ag17 Ag11 84.82(5) .
S21 Ag17 Ag11 114.56(5) .
Ag7 Ag17 Ag11 59.909(17) .
S8 Ag17 Ag2 81.36(4) .
S23 Ag17 Ag2 144.19(5) .
S21 Ag17 Ag2 87.67(4) .
Ag7 Ag17 Ag2 58.000(17) .
Ag11 Ag17 Ag2 59.930(17) .
S8 Ag17 Ag16 143.80(5) .
S23 Ag17 Ag16 52.90(4) .
S21 Ag17 Ag16 86.12(5) .
Ag7 Ag17 Ag16 58.611(18) .
Ag11 Ag17 Ag16 56.383(17) .
Ag2 Ag17 Ag16 105.17(2) .
S8 Ag17 Ag18 47.90(4) .
S23 Ag17 Ag18 99.40(4) .
S21 Ag17 Ag18 143.34(5) .
Ag7 Ag17 Ag18 101.83(2) .
Ag11 Ag17 Ag18 53.768(16) .
Ag2 Ag17 Ag18 55.929(16) .
Ag16 Ag17 Ag18 105.99(2) .
S8 Ag18 S9 130.22(6) .
S8 Ag18 S24 105.80(6) .
S9 Ag18 S24 120.25(6) .
S8 Ag18 Ag11 106.06(5) .
S9 Ag18 Ag11 115.25(5) .
S24 Ag18 Ag11 54.41(4) .
S8 Ag18 Ag6 142.47(5) .
S9 Ag18 Ag6 55.68(5) .
S24 Ag18 Ag6 93.76(4) .
Ag11 Ag18 Ag6 60.346(18) .
S8 Ag18 Ag2 83.07(4) .
S9 Ag18 Ag2 93.09(5) .
S24 Ag18 Ag2 115.06(4) .
Ag11 Ag18 Ag2 61.256(17) .
Ag6 Ag18 Ag2 59.526(17) .
S8 Ag18 Ag17 49.85(4) .
S9 Ag18 Ag17 149.47(5) .
S24 Ag18 Ag17 80.66(4) .
Ag11 Ag18 Ag17 56.476(17) .
Ag6 Ag18 Ag17 104.56(2) .
Ag2 Ag18 Ag17 56.623(17) .
S3 Ag19 S2 125.27(6) .
S3 Ag19 S5 108.11(6) .
S2 Ag19 S5 123.75(6) .
S3 Ag19 Ag1 144.54(5) .
S2 Ag19 Ag1 58.46(4) .
S5 Ag19 Ag1 88.88(4) .
S3 Ag19 Ag3 103.02(5) .
S2 Ag19 Ag3 116.60(4) .
S5 Ag19 Ag3 59.78(4) .
Ag1 Ag19 Ag3 58.410(16) .
S3 Ag19 Ag4 86.98(5) .
S2 Ag19 Ag4 83.84(4) .
S5 Ag19 Ag4 117.90(5) .
Ag1 Ag19 Ag4 57.618(16) .
Ag3 Ag19 Ag4 58.139(17) .
S3 Ag19 Ag20 48.29(5) .
S2 Ag19 Ag20 139.34(5) .
S5 Ag19 Ag20 88.47(4) .
Ag1 Ag19 Ag20 103.41(2) .
Ag3 Ag19 Ag20 55.307(16) .
Ag4 Ag19 Ag20 57.488(17) .
S3 Ag20 S18 125.64(7) .
S3 Ag20 S6 112.75(7) .
S18 Ag20 S6 119.48(7) .
S3 Ag20 Ag3 103.39(5) .
S18 Ag20 Ag3 114.23(5) .
S6 Ag20 Ag3 60.35(4) .
S3 Ag20 Ag8 142.06(5) .
S18 Ag20 Ag8 55.86(5) .
S6 Ag20 Ag8 88.02(5) .
Ag3 Ag20 Ag8 58.488(17) .
S3 Ag20 Ag4 85.91(5) .
S18 Ag20 Ag4 82.84(5) .
S6 Ag20 Ag4 117.90(5) .
Ag3 Ag20 Ag4 57.744(16) .
Ag8 Ag20 Ag4 56.150(17) .
S3 Ag20 Ag19 48.26(4) .
S18 Ag20 Ag19 137.29(5) .
S6 Ag20 Ag19 92.50(4) .
Ag3 Ag20 Ag19 55.717(16) .
Ag8 Ag20 Ag19 102.12(2) .
Ag4 Ag20 Ag19 56.099(16) .
O1 C1 C2 112.4(7) .
C1 C2 C3 111.5(7) .
O2 C4 C5 119.3(10) .
C6 C5 C4 112.0(12) .
O3 C7 C8 116.6(9) .
C9 C8 C7 119.9(10) .
O4 C10 C11 131(2) .
C12 C11 C10 96.3(8) .
O4 C10B C11B 114.7(19) .
C12B C11B C10B 96.4(12) .
O5 C13 C14 111.5(8) .
C13 C14 C15 114.7(10) .
O6 C16 C17 111.7(6) .
C16 C17 C18 110.2(7) .
O7 C19 C20 109.0(6) .
C21 C20 C19 110.9(8) .
O8 C22 C23 107.7(6) .
C24 C23 C22 113.2(7) .
O9 C25 C26 109.9(7) .
C25 C26 C27 110.1(9) .
O10 C28 C29 107.8(7) .
C30 C29 C28 111.5(8) .
O11 C31 C32 115.0(10) .
C31 C32 C33 124.8(11) .
C35 C34 O12 110.7(7) .
C34 C35 C36 111.7(8) .
O13 C37 C38 107.6(8) .
C39 C38 C37 104.2(13) .
O14 C40 C41 112.9(8) .
C40 C41 C42 115.4(9) .
O15 C43 C44 108.3(7) .
C43 C44 C45 113.8(8) .
O16 C46 C47 106.1(8) .
C48 C47 C46 114.6(12) .
O17 C49 C50 111.8(9) .
C49 C50 C51 115.2(10) .
O18 C52 C53 109.5(11) .
C54 C53 C52 111.5(13) .
O19 C55 C56 109.0(7) .
C55 C56 C57 98.9(11) .
O20 C58 C59 109.6(8) .
C58 C59 C60 112.0(9) .
O21 C61 C62 109.9(11) .
C63 C62 C61 117.6(14) .
O22 C64 C65 106.6(7) .
C66 C65 C64 111.6(8) .
O23 C67 C68 112.1(10) .
C69 C68 C67 113.3(14) .
O24 C70 C71 107.9(7) .
C70 C71 C72 113.4(8) .
C1 O1 P1 119.1(4) .
C4 O2 P1 117.9(6) .
C7 O3 P2 121.3(6) .
C10 O4 P2 149.2(13) .
C10B O4 P2 132.8(12) .
C13 O5 P3 119.9(5) .
C16 O6 P3 118.6(4) .
C19 O7 P4 118.8(4) .
C22 O8 P4 122.8(4) .
C25 O9 P5 118.6(5) .
C28 O10 P5 122.8(5) .
C31 O11 P6 116.3(6) .
C34 O12 P6 120.4(6) .
C37 O13 P7 121.4(5) .
C40 O14 P7 125.1(5) .
C43 O15 P8 120.5(5) .
C46 O16 P8 121.5(5) .
C49 O17 P9 123.4(6) .
C52 O18 P9 122.7(7) .
C55 O19 P10 118.4(5) .
C58 O20 P10 120.3(5) .
C61 O21 P11 127.2(9) .
C64 O22 P11 127.7(6) .
C67 O23 P12 122.1(6) .
C70 O24 P12 122.9(5) .
O1 P1 O2 96.7(3) .
O1 P1 S1 114.0(2) .
O2 P1 S1 113.0(2) .
O1 P1 S2 110.2(2) .
O2 P1 S2 108.2(2) .
S1 P1 S2 113.44(11) .
O4 P2 O3 99.0(4) .
O4 P2 S4 112.2(5) .
O3 P2 S4 110.0(3) .
O4 P2 S3 105.4(4) .
O3 P2 S3 108.7(3) .
S4 P2 S3 119.56(13) .
O5 P3 O6 101.9(3) .
O5 P3 S6 107.9(2) .
O6 P3 S6 108.9(2) .
O5 P3 S5 113.9(2) .
O6 P3 S5 107.4(2) .
S6 P3 S5 115.91(11) .
O8 P4 O7 101.5(3) .
O8 P4 S7 108.1(2) .
O7 P4 S7 111.4(2) .
O8 P4 S8 107.1(2) .
O7 P4 S8 107.9(2) .
S7 P4 S8 119.27(11) .
O9 P5 O10 101.6(3) .
O9 P5 S10 114.1(2) .
O10 P5 S10 109.3(2) .
O9 P5 S9 104.4(2) .
O10 P5 S9 109.1(2) .
S10 P5 S9 117.20(11) .
O12 P6 O11 102.3(3) .
O12 P6 S12 107.9(3) .
O11 P6 S12 109.8(3) .
O12 P6 S11 112.1(2) .
O11 P6 S11 107.2(3) .
S12 P6 S11 116.55(13) .
O14 P7 O13 100.0(3) .
O14 P7 S14 112.8(2) .
O13 P7 S14 110.6(2) .
O14 P7 S13 104.8(2) .
O13 P7 S13 107.4(2) .
S14 P7 S13 119.21(12) .
O15 P8 O16 100.1(3) .
O15 P8 S16 113.8(2) .
O16 P8 S16 111.7(2) .
O15 P8 S15 105.7(2) .
O16 P8 S15 109.0(3) .
S16 P8 S15 115.32(12) .
O18 P9 O17 102.0(4) .
O18 P9 S18 111.8(3) .
O17 P9 S18 100.6(3) .
O18 P9 S17 110.2(3) .
O17 P9 S17 112.8(3) .
S18 P9 S17 117.96(12) .
O20 P10 O19 101.0(3) .
O20 P10 S20 109.4(3) .
O19 P10 S20 108.3(2) .
O20 P10 S19 112.4(3) .
O19 P10 S19 108.0(3) .
S20 P10 S19 116.48(13) .
O22 P11 O21 108.9(5) .
O22 P11 S21 111.0(3) .
O21 P11 S21 103.9(3) .
O22 P11 S22 102.4(3) .
O21 P11 S22 109.4(3) .
S21 P11 S22 121.02(12) .
O24 P12 O23 101.5(3) .
O24 P12 S24 104.8(2) .
O23 P12 S24 110.8(2) .
O24 P12 S23 111.0(2) .
O23 P12 S23 107.7(2) .
S24 P12 S23 119.57(11) .
Ag7 Pd1 Ag11 65.539(18) .
Ag7 Pd1 Ag6 117.74(2) .
Ag11 Pd1 Ag6 64.240(18) .
Ag7 Pd1 Ag4 116.19(2) .
Ag11 Pd1 Ag4 178.26(2) .
Ag6 Pd1 Ag4 114.33(2) .
Ag7 Pd1 Ag8 64.048(19) .
Ag11 Pd1 Ag8 118.38(2) .
Ag6 Pd1 Ag8 177.35(2) .
Ag4 Pd1 Ag8 63.055(18) .
Ag7 Pd1 Ag10 117.26(2) .
Ag11 Pd1 Ag10 62.708(18) .
Ag6 Pd1 Ag10 65.887(18) .
Ag4 Pd1 Ag10 115.96(2) .
Ag8 Pd1 Ag10 115.37(2) .
Ag7 Pd1 Ag5 179.15(3) .
Ag11 Pd1 Ag5 114.68(2) .
Ag6 Pd1 Ag5 61.927(18) .
Ag4 Pd1 Ag5 63.582(18) .
Ag8 Pd1 Ag5 116.26(2) .
Ag10 Pd1 Ag5 63.407(18) .
Ag7 Pd1 Ag12 65.314(19) .
Ag11 Pd1 Ag12 64.887(19) .
Ag6 Pd1 Ag12 118.99(2) .
Ag4 Pd1 Ag12 115.70(2) .
Ag8 Pd1 Ag12 63.372(18) .
Ag10 Pd1 Ag12 62.228(18) .
Ag5 Pd1 Ag12 115.53(2) .
Ag7 Pd1 Ag2 63.224(18) .
Ag11 Pd1 Ag2 65.649(18) .
Ag6 Pd1 Ag2 64.054(17) .
Ag4 Pd1 Ag2 114.83(2) .
Ag8 Pd1 Ag2 116.24(2) .
Ag10 Pd1 Ag2 119.08(2) .
Ag5 Pd1 Ag2 116.05(2) .
Ag12 Pd1 Ag2 119.06(2) .
Ag7 Pd1 Ag1 114.46(2) .
Ag11 Pd1 Ag1 116.51(2) .
Ag6 Pd1 Ag1 62.522(18) .
Ag4 Pd1 Ag1 62.917(18) .
Ag8 Pd1 Ag1 115.11(2) .
Ag10 Pd1 Ag1 118.83(2) .
Ag5 Pd1 Ag1 64.694(18) .
Ag12 Pd1 Ag1 178.46(2) .
Ag2 Pd1 Ag1 61.645(18) .
Ag7 Pd1 Ag3 62.648(18) .
Ag11 Pd1 Ag3 118.09(2) .
Ag6 Pd1 Ag3 115.49(2) .
Ag4 Pd1 Ag3 63.274(18) .
Ag8 Pd1 Ag3 63.231(18) .
Ag10 Pd1 Ag3 178.56(2) .
Ag5 Pd1 Ag3 116.70(2) .
Ag12 Pd1 Ag3 116.83(2) .
Ag2 Pd1 Ag3 62.265(17) .
Ag1 Pd1 Ag3 62.085(17) .
Ag7 Pd1 Ag9 117.54(2) .
Ag11 Pd1 Ag9 116.39(2) .
Ag6 Pd1 Ag9 116.35(2) .
Ag4 Pd1 Ag9 63.121(18) .
Ag8 Pd1 Ag9 63.248(19) .
Ag10 Pd1 Ag9 62.495(18) .
Ag5 Pd1 Ag9 63.160(19) .
Ag12 Pd1 Ag9 62.686(19) .
Ag2 Pd1 Ag9 177.95(2) .
Ag1 Pd1 Ag9 116.58(2) .
Ag3 Pd1 Ag9 116.18(2) .
P1 S1 Ag1 83.79(8) .
P1 S2 Ag19 102.74(9) .
P1 S2 Ag1 82.10(8) .
Ag19 S2 Ag1 68.57(4) .
P2 S3 Ag19 101.07(10) .
P2 S3 Ag20 100.14(10) .
Ag19 S3 Ag20 83.45(6) .
P2 S4 Ag4 109.16(12) .
P3 S5 Ag19 109.15(9) .
P3 S5 Ag3 84.39(8) .
Ag19 S5 Ag3 67.21(4) .
P3 S6 Ag20 105.06(9) .
P3 S6 Ag3 84.31(8) .
Ag20 S6 Ag3 66.95(4) .
P4 S7 Ag2 103.62(9) .
P4 S8 Ag18 110.55(9) .
P4 S8 Ag17 99.09(8) .
Ag18 S8 Ag17 82.25(6) .
P5 S9 Ag18 101.53(9) .
P5 S9 Ag6 93.89(9) .
Ag18 S9 Ag6 69.34(5) .
P5 S10 Ag13 101.25(10) .
P6 S11 Ag13 103.18(11) .
P6 S11 Ag5 80.72(10) .
Ag13 S11 Ag5 67.44(5) .
P6 S12 Ag14 103.62(10) .
P6 S12 Ag5 87.34(9) .
Ag14 S12 Ag5 72.59(5) .
P7 S13 Ag14 104.47(9) .
P7 S13 Ag13 101.82(9) .
Ag14 S13 Ag13 82.13(6) .
P7 S14 Ag10 104.46(10) .
P8 S15 Ag14 98.94(10) .
P8 S15 Ag9 80.65(8) .
Ag14 S15 Ag9 70.42(5) .
P8 S16 Ag9 86.60(9) .
P9 S17 Ag15 112.29(11) .
P9 S18 Ag20 103.34(10) .
P9 S18 Ag8 87.07(9) .
Ag20 S18 Ag8 71.58(5) .
P10 S19 Ag15 105.98(11) .
P10 S19 Ag12 86.43(9) .
Ag15 S19 Ag12 66.24(5) .
P10 S20 Ag16 108.19(10) .
P10 S20 Ag12 82.44(10) .
Ag16 S20 Ag12 65.74(5) .
P11 S21 Ag7 99.08(10) .
P11 S21 Ag17 108.55(10) .
Ag7 S21 Ag17 68.26(5) .
P11 S22 Ag16 106.50(10) .
P11 S22 Ag15 104.56(11) .
Ag16 S22 Ag15 80.32(6) .
P12 S23 Ag17 99.26(9) .
P12 S23 Ag16 109.66(10) .
Ag17 S23 Ag16 74.22(5) .
P12 S24 Ag11 105.15(9) .
P12 S24 Ag18 101.50(9) .
Ag11 S24 Ag18 65.36(4) .
C74 C75 C75 118.1(14) 3_655
C75 C74 C73 115.7(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S1 2.6811(19) .
Ag1 S2 2.7032(18) .
Ag1 Pd1 2.7855(7) .
Ag1 Ag2 2.8489(7) .
Ag1 Ag6 2.8667(7) .
Ag1 Ag4 2.8840(7) .
Ag1 Ag3 2.8860(7) .
Ag1 Ag19 2.9524(7) .
Ag1 Ag5 2.9657(7) .
Ag2 S7 2.5159(17) .
Ag2 Pd1 2.7747(7) .
Ag2 Ag7 2.8668(7) .
Ag2 Ag3 2.8880(7) .
Ag2 Ag6 2.9237(7) .
Ag2 Ag11 2.9746(7) .
Ag2 Ag18 2.9793(7) .
Ag2 Ag17 3.0034(8) .
Ag3 S5 2.7763(18) .
Ag3 S6 2.7840(18) .
Ag3 Pd1 2.8108(7) .
Ag3 Ag7 2.8631(7) .
Ag3 Ag8 2.9120(7) .
Ag3 Ag4 2.9124(7) .
Ag3 Ag20 2.9477(7) .
Ag3 Ag19 2.9622(7) .
Ag4 S4 2.472(2) .
Ag4 Pd1 2.7403(7) .
Ag4 Ag8 2.8673(7) .
Ag4 Ag5 2.8962(7) .
Ag4 Ag9 2.9067(7) .
Ag4 Ag19 3.0307(7) .
Ag4 Ag20 3.0792(8) .
Ag5 S12 2.658(2) .
Ag5 Pd1 2.7572(7) .
Ag5 Ag6 2.8274(7) .
Ag5 Ag10 2.8965(7) .
Ag5 S11 2.899(2) .
Ag5 Ag9 2.9169(7) .
Ag5 Ag13 3.0115(7) .
Ag5 Ag14 3.0769(8) .
Ag6 S9 2.5680(19) .
Ag6 Pd1 2.7381(7) .
Ag6 Ag11 2.8979(7) .
Ag6 Ag18 2.9092(7) .
Ag6 Ag10 2.9870(7) .
Ag6 Ag13 2.9872(7) .
Ag7 S21 2.5560(19) .
Ag7 Pd1 2.6930(7) .
Ag7 Ag8 2.8829(7) .
Ag7 Ag17 2.9073(7) .
Ag7 Ag11 2.9256(7) .
Ag7 Ag12 2.9481(7) .
Ag7 Ag16 2.9523(8) .
Ag7 Ag15 2.9593(8) .
Ag8 S18 2.628(2) .
Ag8 Pd1 2.7430(7) .
Ag8 Ag12 2.8954(7) .
Ag8 Ag9 2.9133(8) .
Ag8 Ag15 2.9845(8) .
Ag8 Ag20 3.0120(8) .
Ag9 S16 2.605(2) .
Ag9 S15 2.802(2) .
Ag9 Pd1 2.8119(7) .
Ag9 Ag10 2.8879(7) .
Ag9 Ag12 2.9032(8) .
Ag9 Ag14 3.0647(8) .
Ag10 S14 2.4919(19) .
Ag10 Pd1 2.7545(7) .
Ag10 Ag11 2.8446(7) .
Ag10 Ag12 2.8543(7) .
Ag10 Ag13 2.9665(7) .
Ag10 Ag14 3.0073(8) .
Ag11 S24 2.5548(18) .
Ag11 Pd1 2.7120(7) .
Ag11 Ag18 2.8557(7) .
Ag11 Ag16 2.8685(7) .
Ag11 Ag12 2.9408(7) .
Ag11 Ag17 2.9514(8) .
Ag12 S19 2.735(2) .
Ag12 Pd1 2.7690(7) .
Ag12 Ag15 2.8759(8) .
Ag12 S20 2.894(2) .
Ag12 Ag16 2.9521(8) .
Ag13 S10 2.490(2) .
Ag13 S11 2.492(2) .
Ag13 S13 2.5355(19) .
Ag13 Ag14 3.3214(8) .
Ag14 S15 2.496(2) .
Ag14 S13 2.5203(19) .
Ag14 S12 2.538(2) .
Ag15 S17 2.479(2) .
Ag15 S19 2.518(2) .
Ag15 S22 2.545(2) .
Ag15 Ag16 3.2753(8) .
Ag16 S20 2.514(2) .
Ag16 S22 2.5338(19) .
Ag16 S23 2.580(2) .
Ag16 Ag17 3.1131(8) .
Ag17 S8 2.5624(19) .
Ag17 S23 2.5797(19) .
Ag17 S21 2.6245(19) .
Ag17 Ag18 3.3216(8) .
Ag18 S8 2.4872(19) .
Ag18 S9 2.546(2) .
Ag18 S24 2.727(2) .
Ag19 S3 2.5133(19) .
Ag19 S2 2.5318(18) .
Ag19 S5 2.5664(18) .
Ag19 Ag20 3.3464(8) .
Ag20 S3 2.515(2) .
Ag20 S18 2.520(2) .
Ag20 S6 2.5486(19) .
C1 O1 1.438(9) .
C1 C2 1.490(12) .
C2 C3 1.525(13) .
C4 O2 1.429(12) .
C4 C5 1.494(9) .
C5 C6 1.490(9) .
C7 O3 1.391(12) .
C7 C8 1.489(9) .
C8 C9 1.487(9) .
C10 O4 1.190(19) .
C10 C11 1.549(10) .
C11 C12 1.534(10) .
C10B O4 1.238(18) .
C10B C11B 1.564(19) .
C11B C12B 1.510(19) .
C13 O5 1.446(9) .
C13 C14 1.465(13) .
C14 C15 1.497(16) .
C16 O6 1.453(9) .
C16 C17 1.467(11) .
C17 C18 1.515(11) .
C19 O7 1.456(9) .
C19 C20 1.505(11) .
C20 C21 1.491(13) .
C22 O8 1.467(8) .
C22 C23 1.509(11) .
C23 C24 1.505(13) .
C25 O9 1.459(9) .
C25 C26 1.468(12) .
C26 C27 1.523(14) .
C28 O10 1.465(9) .
C28 C29 1.508(12) .
C29 C30 1.496(15) .
C31 O11 1.411(11) .
C31 C32 1.449(9) .
C32 C33 1.485(9) .
C34 C35 1.451(12) .
C34 O12 1.468(10) .
C35 C36 1.533(12) .
C37 O13 1.450(10) .
C37 C38 1.527(14) .
C38 C39 1.514(10) .
C40 O14 1.467(10) .
C40 C41 1.473(13) .
C41 C42 1.517(14) .
C43 O15 1.459(9) .
C43 C44 1.499(12) .
C44 C45 1.512(14) .
C46 O16 1.458(10) .
C46 C47 1.521(15) .
C47 C48 1.477(18) .
C49 O17 1.382(11) .
C49 C50 1.453(13) .
C50 C51 1.483(15) .
C52 O18 1.420(13) .
C52 C53 1.525(18) .
C53 C54 1.449(18) .
C55 O19 1.438(10) .
C55 C56 1.494(8) .
C56 C57 1.567(9) .
C58 O20 1.468(10) .
C58 C59 1.481(13) .
C59 C60 1.506(15) .
C61 O21 1.366(13) .
C61 C62 1.476(17) .
C62 C63 1.47(2) .
C64 O22 1.414(10) .
C64 C65 1.530(12) .
C65 C66 1.493(13) .
C67 O23 1.425(10) .
C67 C68 1.491(18) .
C68 C69 1.461(18) .
C70 O24 1.457(9) .
C70 C71 1.487(12) .
C71 C72 1.492(14) .
O1 P1 1.578(5) .
O2 P1 1.593(5) .
O3 P2 1.583(6) .
O4 P2 1.554(7) .
O5 P3 1.571(5) .
O6 P3 1.591(5) .
O7 P4 1.592(5) .
O8 P4 1.576(5) .
O9 P5 1.574(5) .
O10 P5 1.588(5) .
O11 P6 1.586(6) .
O12 P6 1.573(5) .
O13 P7 1.579(5) .
O14 P7 1.575(5) .
O15 P8 1.571(5) .
O16 P8 1.591(6) .
O17 P9 1.614(7) .
O18 P9 1.542(6) .
O19 P10 1.584(5) .
O20 P10 1.567(6) .
O21 P11 1.590(9) .
O22 P11 1.576(7) .
O23 P12 1.581(5) .
O24 P12 1.569(5) .
P1 S1 1.964(3) .
P1 S2 2.026(3) .
P2 S4 1.959(3) .
P2 S3 2.016(3) .
P3 S6 1.997(2) .
P3 S5 2.004(2) .
P4 S7 1.964(2) .
P4 S8 2.023(2) .
P5 S10 1.978(3) .
P5 S9 2.002(3) .
P6 S12 1.993(3) .
P6 S11 2.004(3) .
P7 S14 1.975(3) .
P7 S13 2.021(3) .
P8 S16 1.972(3) .
P8 S15 2.011(3) .
P9 S18 1.992(3) .
P9 S17 1.996(3) .
P10 S20 1.991(3) .
P10 S19 2.007(3) .
P11 S21 1.988(3) .
P11 S22 2.012(3) .
P12 S24 1.994(3) .
P12 S23 2.018(3) .
C73 C74 1.512(17) .
C75 C74 1.458(17) .
C75 C75 1.50(2) 3_655
