#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/34/4343468.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_4343468
loop_
_publ_author_name
'Wächtler, Erik'
'Privér, Steven H'
'Wagler, Jörg'
'Heine, Thomas'
'Zhechkov, Lyuben'
'Bennett, Martin A.'
'Bhargava, Suresh K.'
_publ_contact_author
;
 Wächtler, Erik 
 Institut für Anorganische Chemie  
 Technische Universität Bergakademie Freiberg
 Leipziger Str. 29 
 09596 Freiberg 
 Bundesrepublik Deutschland
;
_publ_section_title
;
 Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A
 Crystallographic and Computational Study.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6947
_journal_page_last               6957
_journal_paper_doi               10.1021/acs.inorgchem.5b00939
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C42 H38 Ag F8 P4 Pd, F6 P, 2.5(C6 H6)'
_chemical_formula_sum            'C57 H53 Ag F14 P5 Pd'
_chemical_formula_weight         1373.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.0330(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.0372(8)
_cell_length_b                   13.3638(5)
_cell_length_c                   21.5548(8)
_cell_measurement_reflns_used    9633
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      39.35
_cell_measurement_theta_min      2.75
_cell_volume                     5576.8(4)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_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       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0124
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            164322
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  0.7477
_exptl_absorpt_correction_T_min  0.6765
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2756
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.456
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     778
_refine_ls_number_reflns         14832
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0200
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0148P)²+5.1303P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0452
_refine_ls_wR_factor_ref         0.0514
_reflns_number_gt                13389
_reflns_number_total             14832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00939_si_002.cif
_cod_data_source_block           18
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'NUMERICAL' changed to
'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4343462--4343474.cif.
;
_cod_original_sg_symbol_Hall     '-P2ybc '
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               4343468
#BEGIN Tags that were not found in dictionaries:
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.338536(5) 0.497462(8) 0.128192(5) 0.01165(3) Uani 1 1 d . A .
Ag1 Ag 0.192302(5) 0.523121(8) 0.058145(5) 0.01454(3) Uani 1 1 d . . .
P1 P 0.196472(18) 0.60844(3) 0.158700(17) 0.01218(6) Uani 1 1 d . . .
P2 P 0.202462(19) 0.39073(3) -0.014473(18) 0.01406(7) Uani 1 1 d . . .
P3 P 0.35080(2) 0.35542(3) 0.194110(19) 0.01724(7) Uani 1 1 d . . .
P4 P 0.351356(18) 0.63823(3) 0.071536(18) 0.01389(7) Uani 1 1 d D . .
F1 F 0.24511(5) 0.75854(7) 0.27567(4) 0.02111(19) Uani 1 1 d . A .
F2 F 0.37374(5) 0.80544(7) 0.35819(4) 0.02227(19) Uani 1 1 d . . .
F3 F 0.48304(5) 0.71354(7) 0.34457(5) 0.02251(19) Uani 1 1 d . A .
F4 F 0.46332(4) 0.57737(7) 0.24900(5) 0.02124(18) Uani 1 1 d . . .
F5 F 0.25640(5) 0.27048(8) -0.10595(5) 0.0278(2) Uani 1 1 d . A .
F6 F 0.38711(6) 0.23823(9) -0.09019(5) 0.0351(3) Uani 1 1 d . . .
F7 F 0.49261(5) 0.31753(9) 0.01700(5) 0.0304(2) Uani 1 1 d . A .
F8 F 0.46760(5) 0.42438(8) 0.10973(5) 0.0240(2) Uani 1 1 d . . .
C1 C 0.34071(7) 0.59320(10) 0.20599(7) 0.0137(2) Uani 1 1 d . . .
C2 C 0.28467(7) 0.64237(10) 0.21421(7) 0.0130(2) Uani 1 1 d . A .
C3 C 0.29704(7) 0.71302(11) 0.26537(7) 0.0149(3) Uani 1 1 d . . .
C4 C 0.36321(8) 0.73827(11) 0.30915(7) 0.0161(3) Uani 1 1 d . A .
C5 C 0.41819(7) 0.69054(11) 0.30246(7) 0.0164(3) Uani 1 1 d . . .
C6 C 0.40569(7) 0.61980(11) 0.25214(7) 0.0155(3) Uani 1 1 d . A .
C7 C 0.13839(7) 0.71513(10) 0.14479(7) 0.0135(2) Uani 1 1 d . . .
C8 C 0.10323(7) 0.73560(11) 0.18671(7) 0.0162(3) Uani 1 1 d . . .
H8 H 0.1127 0.6975 0.2265 0.019 Uiso 1 1 calc R . .
C9 C 0.05452(8) 0.81178(11) 0.16989(7) 0.0180(3) Uani 1 1 d . . .
H9 H 0.0314 0.8266 0.1989 0.022 Uiso 1 1 calc R . .
C10 C 0.03919(8) 0.86672(12) 0.11087(8) 0.0205(3) Uani 1 1 d . . .
H10 H 0.0053 0.9181 0.0993 0.025 Uiso 1 1 calc R . .
C11 C 0.07375(8) 0.84606(11) 0.06895(8) 0.0200(3) Uani 1 1 d . . .
H11 H 0.0634 0.8833 0.0286 0.024 Uiso 1 1 calc R . .
C12 C 0.12338(8) 0.77094(11) 0.08606(7) 0.0159(3) Uani 1 1 d . . .
H12 H 0.1472 0.7575 0.0576 0.019 Uiso 1 1 calc R . .
C13 C 0.16805(7) 0.52214(11) 0.20777(7) 0.0158(3) Uani 1 1 d . . .
C14 C 0.19623(9) 0.51798(13) 0.27779(8) 0.0252(3) Uani 1 1 d . . .
H14 H 0.2321 0.5627 0.3031 0.030 Uiso 1 1 calc R . .
C15 C 0.17150(11) 0.44783(16) 0.31043(9) 0.0353(4) Uani 1 1 d . . .
H15 H 0.1914 0.4439 0.3582 0.042 Uiso 1 1 calc R . .
C16 C 0.11851(11) 0.38393(15) 0.27441(10) 0.0358(4) Uani 1 1 d . . .
H16 H 0.1021 0.3365 0.2974 0.043 Uiso 1 1 calc R . .
C17 C 0.08926(10) 0.38870(14) 0.20489(10) 0.0311(4) Uani 1 1 d . . .
H17 H 0.0522 0.3454 0.1800 0.037 Uiso 1 1 calc R . .
C18 C 0.11439(8) 0.45717(12) 0.17169(8) 0.0212(3) Uani 1 1 d . . .
H18 H 0.0948 0.4598 0.1238 0.025 Uiso 1 1 calc R . .
C19 C 0.34603(7) 0.40961(10) 0.05185(7) 0.0143(3) Uani 1 1 d . . .
C20 C 0.29158(7) 0.36899(11) -0.00499(7) 0.0159(3) Uani 1 1 d . A .
C21 C 0.30656(8) 0.31169(12) -0.05158(7) 0.0206(3) Uani 1 1 d . . .
C22 C 0.37369(9) 0.29354(13) -0.04464(8) 0.0237(3) Uani 1 1 d . A .
C23 C 0.42723(8) 0.33306(13) 0.01019(8) 0.0215(3) Uani 1 1 d . . .
C24 C 0.41232(8) 0.38865(11) 0.05678(7) 0.0177(3) Uani 1 1 d . A .
C25 C 0.15195(7) 0.40682(11) -0.10432(7) 0.0155(3) Uani 1 1 d . . .
C26 C 0.09422(8) 0.34873(11) -0.14025(7) 0.0177(3) Uani 1 1 d . . .
H26 H 0.0822 0.2939 -0.1190 0.021 Uiso 1 1 calc R . .
C27 C 0.05416(8) 0.37116(12) -0.20746(8) 0.0215(3) Uani 1 1 d . . .
H27 H 0.0147 0.3316 -0.2318 0.026 Uiso 1 1 calc R . .
C28 C 0.07153(9) 0.45077(13) -0.23894(8) 0.0249(3) Uani 1 1 d . . .
H28 H 0.0442 0.4655 -0.2848 0.030 Uiso 1 1 calc R . .
C29 C 0.12871(9) 0.50865(13) -0.20345(9) 0.0280(4) Uani 1 1 d . . .
H29 H 0.1408 0.5632 -0.2250 0.034 Uiso 1 1 calc R . .
C30 C 0.16858(8) 0.48718(12) -0.13631(8) 0.0238(3) Uani 1 1 d . . .
H30 H 0.2075 0.5277 -0.1120 0.029 Uiso 1 1 calc R . .
C31 C 0.17409(8) 0.27398(11) 0.01003(7) 0.0181(3) Uani 1 1 d . . .
C32 C 0.14897(9) 0.27783(13) 0.06090(8) 0.0244(3) Uani 1 1 d . . .
H32 H 0.1469 0.3403 0.0811 0.029 Uiso 1 1 calc R . .
C33 C 0.12691(11) 0.19167(15) 0.08254(10) 0.0358(4) Uani 1 1 d . . .
H33 H 0.1096 0.1952 0.1171 0.043 Uiso 1 1 calc R . .
C34 C 0.13028(11) 0.10092(14) 0.05346(11) 0.0381(5) Uani 1 1 d . . .
H34 H 0.1156 0.0418 0.0684 0.046 Uiso 1 1 calc R . .
C35 C 0.15479(11) 0.09548(14) 0.00299(11) 0.0364(4) Uani 1 1 d . . .
H35 H 0.1567 0.0327 -0.0169 0.044 Uiso 1 1 calc R . .
C36 C 0.17683(9) 0.18172(13) -0.01901(9) 0.0279(4) Uani 1 1 d . . .
H36 H 0.1938 0.1777 -0.0538 0.033 Uiso 1 1 calc R . .
C37 C 0.34209(9) 0.23475(12) 0.15327(9) 0.0251(3) Uani 1 1 d . . .
H37A H 0.3511 0.1815 0.1869 0.038 Uiso 1 1 calc R . .
H37B H 0.3753 0.2299 0.1318 0.038 Uiso 1 1 calc R . .
H37C H 0.2951 0.2276 0.1190 0.038 Uiso 1 1 calc R . .
C38 C 0.29712(11) 0.34256(14) 0.24194(10) 0.0323(4) Uani 1 1 d . . .
H38A H 0.2485 0.3397 0.2109 0.048 Uiso 1 1 calc R . .
H38B H 0.3044 0.4001 0.2721 0.048 Uiso 1 1 calc R . .
H38C H 0.3094 0.2809 0.2686 0.048 Uiso 1 1 calc R . .
C39 C 0.43758(10) 0.34730(15) 0.25867(10) 0.0367(5) Uani 1 1 d . . .
H39A H 0.4460 0.4043 0.2895 0.055 Uiso 1 1 calc R . .
H39B H 0.4711 0.3483 0.2374 0.055 Uiso 1 1 calc R . .
H39C H 0.4425 0.2849 0.2840 0.055 Uiso 1 1 calc R . .
C40A C 0.3146(3) 0.7548(3) 0.0844(3) 0.0251(9) Uani 0.69(2) 1 d PD A 1
H40A H 0.3298 0.8095 0.0632 0.038 Uiso 0.69(2) 1 calc PR A 1
H40B H 0.3300 0.7678 0.1329 0.038 Uiso 0.69(2) 1 calc PR A 1
H40C H 0.2641 0.7503 0.0643 0.038 Uiso 0.69(2) 1 calc PR A 1
C41A C 0.44288(15) 0.6653(6) 0.1006(4) 0.0264(10) Uani 0.69(2) 1 d PD A 1
H41A H 0.4496 0.7262 0.0786 0.040 Uiso 0.69(2) 1 calc PR A 1
H41B H 0.4664 0.6092 0.0894 0.040 Uiso 0.69(2) 1 calc PR A 1
H41C H 0.4621 0.6751 0.1496 0.040 Uiso 0.69(2) 1 calc PR A 1
C42A C 0.3234(3) 0.6363(6) -0.01929(13) 0.0225(9) Uani 0.69(2) 1 d PD A 1
H42A H 0.2729 0.6397 -0.0403 0.034 Uiso 0.69(2) 1 calc PR A 1
H42B H 0.3392 0.5743 -0.0330 0.034 Uiso 0.69(2) 1 calc PR A 1
H42C H 0.3431 0.6938 -0.0337 0.034 Uiso 0.69(2) 1 calc PR A 1
C40B C 0.2962(9) 0.7447(10) 0.0654(10) 0.038(3) Uani 0.31(2) 1 d PD A 2
H40D H 0.2938 0.7569 0.1092 0.056 Uiso 0.31(2) 1 calc PR A 2
H40E H 0.2498 0.7311 0.0316 0.056 Uiso 0.31(2) 1 calc PR A 2
H40F H 0.3152 0.8039 0.0518 0.056 Uiso 0.31(2) 1 calc PR A 2
C41B C 0.4372(4) 0.6905(13) 0.1128(8) 0.031(3) Uani 0.31(2) 1 d PD A 2
H41D H 0.4432 0.7458 0.0857 0.047 Uiso 0.31(2) 1 calc PR A 2
H41E H 0.4717 0.6386 0.1175 0.047 Uiso 0.31(2) 1 calc PR A 2
H41F H 0.4432 0.7154 0.1575 0.047 Uiso 0.31(2) 1 calc PR A 2
C42B C 0.3440(10) 0.6220(13) -0.0144(4) 0.033(3) Uani 0.31(2) 1 d PD A 2
H42D H 0.2967 0.6024 -0.0429 0.049 Uiso 0.31(2) 1 calc PR A 2
H42E H 0.3761 0.5697 -0.0158 0.049 Uiso 0.31(2) 1 calc PR A 2
H42F H 0.3554 0.6850 -0.0309 0.049 Uiso 0.31(2) 1 calc PR A 2
P5A P 0.11613(4) 0.78900(7) 0.89392(3) 0.02093(11) Uani 0.919(5) 1 d P B 1
F9A F 0.09182(8) 0.88776(15) 0.84916(9) 0.0415(4) Uani 0.919(5) 1 d P B 1
F10A F 0.18384(7) 0.78290(18) 0.87812(8) 0.0402(5) Uani 0.919(5) 1 d P B 1
F11A F 0.15696(9) 0.85632(9) 0.95941(8) 0.0336(4) Uani 0.919(5) 1 d P B 1
F12A F 0.04842(9) 0.79462(12) 0.91098(9) 0.0320(3) Uani 0.919(5) 1 d P B 1
F13A F 0.07495(8) 0.72121(15) 0.82987(8) 0.0405(4) Uani 0.919(5) 1 d P B 1
F14A F 0.14071(8) 0.68993(10) 0.94046(7) 0.0277(3) Uani 0.919(5) 1 d P B 1
P5B P 0.1222(4) 0.7774(5) 0.8950(3) 0.02093(11) Uani 0.081(5) 1 d PD B 2
F9B F 0.0912(6) 0.8593(8) 0.8371(5) 0.019(2) Uani 0.081(5) 1 d PD B 2
F10B F 0.1756(5) 0.7431(10) 0.8631(6) 0.019(2) Uani 0.081(5) 1 d PD B 2
F11B F 0.1769(6) 0.8571(7) 0.9408(6) 0.019(2) Uani 0.081(5) 1 d PD B 2
F12B F 0.0689(7) 0.8116(10) 0.9270(6) 0.019(2) Uani 0.081(5) 1 d PD B 2
F13B F 0.0676(5) 0.6976(8) 0.8492(7) 0.019(2) Uani 0.081(5) 1 d PD B 2
F14B F 0.1532(7) 0.6954(8) 0.9529(6) 0.019(2) Uani 0.081(5) 1 d PD B 2
C43 C 0.25410(11) 0.01017(17) 0.21871(11) 0.0389(5) Uani 1 1 d . . .
H43 H 0.2051 0.0136 0.2017 0.047 Uiso 1 1 calc R . .
C44 C 0.28610(10) -0.03486(15) 0.18100(11) 0.0362(4) Uani 1 1 d . . .
H44 H 0.2593 -0.0625 0.1380 0.043 Uiso 1 1 calc R . .
C45 C 0.35756(10) -0.03955(15) 0.20623(10) 0.0337(4) Uani 1 1 d . . .
H45 H 0.3798 -0.0700 0.1803 0.040 Uiso 1 1 calc R . .
C46 C 0.39659(10) -0.00007(16) 0.26893(10) 0.0354(4) Uani 1 1 d . . .
H46 H 0.4456 -0.0038 0.2861 0.042 Uiso 1 1 calc R . .
C47 C 0.36453(11) 0.04467(18) 0.30647(10) 0.0404(5) Uani 1 1 d . . .
H47 H 0.3913 0.0716 0.3496 0.048 Uiso 1 1 calc R . .
C48 C 0.29326(12) 0.05035(18) 0.28125(12) 0.0425(5) Uani 1 1 d . . .
H48 H 0.2711 0.0819 0.3069 0.051 Uiso 1 1 calc R . .
C49A C 0.41701(9) 0.89831(13) -0.01802(10) 0.0389(7) Uani 0.876(4) 1 d PG C 1
H49A H 0.4414 0.8554 -0.0362 0.047 Uiso 0.876(4) 1 calc PR C 1
C50A C 0.45259(6) 0.95098(15) 0.04107(10) 0.0456(8) Uani 0.876(4) 1 d PG C 1
H50A H 0.5013 0.9441 0.0633 0.055 Uiso 0.876(4) 1 calc PR C 1
C51A C 0.41696(9) 1.01377(14) 0.06770(8) 0.0490(8) Uani 0.876(4) 1 d PG C 1
H51A H 0.4413 1.0498 0.1081 0.059 Uiso 0.876(4) 1 calc PR C 1
C52A C 0.34575(10) 1.02389(12) 0.03523(8) 0.0424(6) Uani 0.876(4) 1 d PG C 1
H52A H 0.3214 1.0668 0.0534 0.051 Uiso 0.876(4) 1 calc PR C 1
C53A C 0.31016(7) 0.97121(12) -0.02386(7) 0.0369(6) Uani 0.876(4) 1 d PG C 1
H53A H 0.2615 0.9781 -0.0460 0.044 Uiso 0.876(4) 1 calc PR C 1
C54A C 0.34579(9) 0.90842(11) -0.05049(7) 0.0357(5) Uani 0.876(4) 1 d PG C 1
H54A H 0.3215 0.8724 -0.0909 0.043 Uiso 0.876(4) 1 calc PR C 1
C49B C 0.4223(4) 0.8975(6) -0.0264(8) 0.042(4) Uani 0.124(4) 1 d PG C 2
H49B H 0.4380 0.8418 -0.0439 0.050 Uiso 0.124(4) 1 calc PR C 2
C50B C 0.4545(3) 0.9219(7) 0.0415(7) 0.040(4) Uani 0.124(4) 1 d PG C 2
H50B H 0.4922 0.8829 0.0704 0.048 Uiso 0.124(4) 1 calc PR C 2
C51B C 0.4315(5) 1.0034(9) 0.0672(5) 0.047(4) Uani 0.124(4) 1 d PG C 2
H51B H 0.4536 1.0201 0.1136 0.056 Uiso 0.124(4) 1 calc PR C 2
C52B C 0.3763(5) 1.0604(6) 0.0249(6) 0.042(4) Uani 0.124(4) 1 d PG C 2
H52B H 0.3606 1.1161 0.0424 0.050 Uiso 0.124(4) 1 calc PR C 2
C53B C 0.3441(4) 1.0360(5) -0.0430(5) 0.040(4) Uani 0.124(4) 1 d PG C 2
H53B H 0.3064 1.0749 -0.0719 0.048 Uiso 0.124(4) 1 calc PR C 2
C54B C 0.3671(5) 0.9545(7) -0.0686(5) 0.047(4) Uani 0.124(4) 1 d PG C 2
H54B H 0.3450 0.9378 -0.1151 0.056 Uiso 0.124(4) 1 calc PR C 2
C55 C 0.03431(8) 0.50851(12) -0.04347(8) 0.0204(3) Uani 1 1 d G . .
H55 H 0.0578 0.5142 -0.0730 0.024 Uiso 1 1 calc R . .
C56 C 0.02282(8) 0.59309(12) -0.01168(8) 0.0204(3) Uani 1 1 d . . .
H56 H 0.0383 0.6567 -0.0196 0.024 Uiso 1 1 calc R . .
C57 C -0.01137(8) 0.58431(12) 0.03185(8) 0.0209(3) Uani 1 1 d . . .
H57 H -0.0190 0.6421 0.0537 0.025 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 0.00 0.00 0.0700
-1.00 -2.00 -2.00 0.0950
1.00 2.00 2.00 0.1200
0.00 1.00 0.00 0.1250
1.00 1.00 2.00 0.1200
2.00 -1.00 1.00 0.0780
0.00 1.00 -2.00 0.1080
0.00 -1.00 2.00 0.0880
1.00 0.00 -1.00 0.0840
-1.00 0.00 -2.00 0.0860
-1.00 0.00 2.00 0.1300
1.00 0.00 0.00 0.0910
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
C19 Pd1 C1 173.97(6) .
C19 Pd1 P4 88.90(4) .
C1 Pd1 P4 87.45(4) .
C19 Pd1 P3 89.89(4) .
C1 Pd1 P3 92.69(4) .
P4 Pd1 P3 167.979(14) .
C19 Pd1 Ag1 92.80(4) .
C1 Pd1 Ag1 91.80(4) .
P4 Pd1 Ag1 86.991(10) .
P3 Pd1 Ag1 105.015(11) .
P1 Ag1 P2 160.016(13) .
P1 Ag1 Pd1 85.946(9) .
P2 Ag1 Pd1 84.569(9) .
C13 P1 C7 103.88(7) .
C13 P1 C2 104.91(6) .
C7 P1 C2 110.90(6) .
C13 P1 Ag1 108.51(5) .
C7 P1 Ag1 115.70(5) .
C2 P1 Ag1 112.02(5) .
C25 P2 C31 106.77(7) .
C25 P2 C20 106.50(7) .
C31 P2 C20 105.64(7) .
C25 P2 Ag1 115.97(5) .
C31 P2 Ag1 108.42(5) .
C20 P2 Ag1 112.90(5) .
C38 P3 C37 103.01(9) .
C38 P3 C39 102.83(10) .
C37 P3 C39 101.50(9) .
C38 P3 Pd1 118.74(6) .
C37 P3 Pd1 117.64(6) .
C39 P3 Pd1 110.82(7) .
C40B P4 C42B 102.9(4) .
C40A P4 C42A 101.6(3) .
C40B P4 C41B 102.7(4) .
C42B P4 C41B 102.6(4) .
C40A P4 C41A 103.6(2) .
C42A P4 C41A 103.2(3) .
C40B P4 Pd1 118.3(5) .
C40A P4 Pd1 118.3(2) .
C42B P4 Pd1 117.5(5) .
C42A P4 Pd1 120.2(2) .
C41B P4 Pd1 110.7(5) .
C41A P4 Pd1 107.9(2) .
C6 C1 C2 115.18(12) .
C6 C1 Pd1 115.95(10) .
C2 C1 Pd1 128.55(10) .
C3 C2 C1 120.27(12) .
C3 C2 P1 120.81(11) .
C1 C2 P1 118.88(10) .
F1 C3 C4 116.32(12) .
F1 C3 C2 121.64(12) .
C4 C3 C2 122.02(13) .
F2 C4 C5 120.49(13) .
F2 C4 C3 120.94(13) .
C5 C4 C3 118.55(13) .
F3 C5 C4 119.68(13) .
F3 C5 C6 121.07(13) .
C4 C5 C6 119.24(13) .
F4 C6 C5 115.01(12) .
F4 C6 C1 120.27(12) .
C5 C6 C1 124.70(13) .
C12 C7 C8 119.47(13) .
C12 C7 P1 117.79(11) .
C8 C7 P1 122.37(11) .
C9 C8 C7 119.80(13) .
C9 C8 H8 120.1 .
C7 C8 H8 120.1 .
C8 C9 C10 120.55(14) .
C8 C9 H9 119.7 .
C10 C9 H9 119.7 .
C11 C10 C9 119.71(14) .
C11 C10 H10 120.1 .
C9 C10 H10 120.1 .
C12 C11 C10 120.01(14) .
C12 C11 H11 120.0 .
C10 C11 H11 120.0 .
C11 C12 C7 120.44(13) .
C11 C12 H12 119.8 .
C7 C12 H12 119.8 .
C14 C13 C18 119.26(14) .
C14 C13 P1 124.03(12) .
C18 C13 P1 116.71(11) .
C15 C14 C13 119.44(16) .
C15 C14 H14 120.3 .
C13 C14 H14 120.3 .
C16 C15 C14 120.91(17) .
C16 C15 H15 119.5 .
C14 C15 H15 119.5 .
C15 C16 C17 120.11(16) .
C15 C16 H16 119.9 .
C17 C16 H16 119.9 .
C16 C17 C18 119.49(17) .
C16 C17 H17 120.3 .
C18 C17 H17 120.3 .
C17 C18 C13 120.76(15) .
C17 C18 H18 119.6 .
C13 C18 H18 119.6 .
C24 C19 C20 115.95(13) .
C24 C19 Pd1 116.09(10) .
C20 C19 Pd1 127.95(10) .
C21 C20 C19 119.95(13) .
C21 C20 P2 121.20(11) .
C19 C20 P2 118.84(10) .
F5 C21 C22 116.16(13) .
F5 C21 C20 121.96(13) .
C22 C21 C20 121.88(14) .
F6 C22 C23 120.12(14) .
F6 C22 C21 121.01(14) .
C23 C22 C21 118.87(14) .
F7 C23 C22 119.56(14) .
F7 C23 C24 121.26(14) .
C22 C23 C24 119.17(14) .
F8 C24 C23 115.91(13) .
F8 C24 C19 119.92(13) .
C23 C24 C19 124.18(14) .
C30 C25 C26 119.18(14) .
C30 C25 P2 117.54(11) .
C26 C25 P2 122.99(11) .
C25 C26 C27 119.93(14) .
C25 C26 H26 120.0 .
C27 C26 H26 120.0 .
C28 C27 C26 120.40(15) .
C28 C27 H27 119.8 .
C26 C27 H27 119.8 .
C29 C28 C27 119.86(15) .
C29 C28 H28 120.1 .
C27 C28 H28 120.1 .
C28 C29 C30 120.06(16) .
C28 C29 H29 120.0 .
C30 C29 H29 120.0 .
C29 C30 C25 120.57(15) .
C29 C30 H30 119.7 .
C25 C30 H30 119.7 .
C32 C31 C36 118.78(15) .
C32 C31 P2 117.74(12) .
C36 C31 P2 123.48(13) .
C33 C32 C31 120.91(17) .
C33 C32 H32 119.5 .
C31 C32 H32 119.5 .
C34 C33 C32 119.54(19) .
C34 C33 H33 120.2 .
C32 C33 H33 120.2 .
C35 C34 C33 120.49(18) .
C35 C34 H34 119.8 .
C33 C34 H34 119.8 .
C34 C35 C36 120.20(17) .
C34 C35 H35 119.9 .
C36 C35 H35 119.9 .
C35 C36 C31 120.08(17) .
C35 C36 H36 120.0 .
C31 C36 H36 120.0 .
P3 C37 H37A 109.5 .
P3 C37 H37B 109.5 .
H37A C37 H37B 109.5 .
P3 C37 H37C 109.5 .
H37A C37 H37C 109.5 .
H37B C37 H37C 109.5 .
P3 C38 H38A 109.5 .
P3 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
P3 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
P3 C39 H39A 109.5 .
P3 C39 H39B 109.5 .
H39A C39 H39B 109.5 .
P3 C39 H39C 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
P4 C40A H40A 109.5 .
P4 C40A H40B 109.5 .
P4 C40A H40C 109.5 .
P4 C41A H41A 109.5 .
P4 C41A H41B 109.5 .
P4 C41A H41C 109.5 .
P4 C42A H42A 109.5 .
P4 C42A H42B 109.5 .
P4 C42A H42C 109.5 .
P4 C40B H40D 109.5 .
P4 C40B H40E 109.5 .
H40D C40B H40E 109.5 .
P4 C40B H40F 109.5 .
H40D C40B H40F 109.5 .
H40E C40B H40F 109.5 .
P4 C41B H41D 109.5 .
P4 C41B H41E 109.5 .
H41D C41B H41E 109.5 .
P4 C41B H41F 109.5 .
H41D C41B H41F 109.5 .
H41E C41B H41F 109.5 .
P4 C42B H42D 109.5 .
P4 C42B H42E 109.5 .
H42D C42B H42E 109.5 .
P4 C42B H42F 109.5 .
H42D C42B H42F 109.5 .
H42E C42B H42F 109.5 .
F10A P5A F13A 90.81(9) .
F10A P5A F9A 90.85(8) .
F13A P5A F9A 90.54(9) .
F10A P5A F12A 179.16(8) .
F13A P5A F12A 89.70(8) .
F9A P5A F12A 89.81(8) .
F10A P5A F11A 90.07(9) .
F13A P5A F11A 178.87(10) .
F9A P5A F11A 90.16(8) .
F12A P5A F11A 89.41(8) .
F10A P5A F14A 89.72(7) .
F13A P5A F14A 90.31(8) .
F9A P5A F14A 178.97(8) .
F12A P5A F14A 89.62(7) .
F11A P5A F14A 88.99(7) .
F12B P5B F9B 90.1(2) .
F12B P5B F13B 90.1(2) .
F9B P5B F13B 90.0(2) .
F12B P5B F11B 90.0(2) .
F9B P5B F11B 90.1(2) .
F13B P5B F11B 179.8(3) .
F12B P5B F10B 179.9(3) .
F9B P5B F10B 90.0(2) .
F13B P5B F10B 89.9(2) .
F11B P5B F10B 89.9(2) .
F12B P5B F14B 90.0(2) .
F9B P5B F14B 180.0(3) .
F13B P5B F14B 90.0(2) .
F11B P5B F14B 89.9(2) .
F10B P5B F14B 89.9(2) .
C44 C43 C48 120.1(2) .
C44 C43 H43 120.0 .
C48 C43 H43 120.0 .
C43 C44 C45 119.5(2) .
C43 C44 H44 120.2 .
C45 C44 H44 120.2 .
C46 C45 C44 120.3(2) .
C46 C45 H45 119.8 .
C44 C45 H45 119.8 .
C47 C46 C45 120.02(19) .
C47 C46 H46 120.0 .
C45 C46 H46 120.0 .
C46 C47 C48 119.9(2) .
C46 C47 H47 120.1 .
C48 C47 H47 120.1 .
C47 C48 C43 120.2(2) .
C47 C48 H48 119.9 .
C43 C48 H48 119.9 .
C50A C49A C54A 120.0 .
C50A C49A H49A 120.0 .
C54A C49A H49A 120.0 .
C51A C50A C49A 120.0 .
C51A C50A H50A 120.0 .
C49A C50A H50A 120.0 .
C50A C51A C52A 120.0 .
C50A C51A H51A 120.0 .
C52A C51A H51A 120.0 .
C53A C52A C51A 120.0 .
C53A C52A H52A 120.0 .
C51A C52A H52A 120.0 .
C52A C53A C54A 120.0 .
C52A C53A H53A 120.0 .
C54A C53A H53A 120.0 .
C53A C54A C49A 120.0 .
C53A C54A H54A 120.0 .
C49A C54A H54A 120.0 .
C50B C49B C54B 120.0 .
C50B C49B H49B 120.0 .
C54B C49B H49B 120.0 .
C51B C50B C49B 120.0 .
C51B C50B H50B 120.0 .
C49B C50B H50B 120.0 .
C50B C51B C52B 120.0 .
C50B C51B H51B 120.0 .
C52B C51B H51B 120.0 .
C51B C52B C53B 120.0 .
C51B C52B H52B 120.0 .
C53B C52B H52B 120.0 .
C54B C53B C52B 120.0 .
C54B C53B H53B 120.0 .
C52B C53B H53B 120.0 .
C53B C54B C49B 120.0 .
C53B C54B H54B 120.0 .
C49B C54B H54B 120.0 .
C57 C55 C56 119.83(14) 3_565
C57 C55 H55 120.1 3_565
C56 C55 H55 120.1 .
C55 C56 C57 119.90(15) .
C55 C56 H56 120.1 .
C57 C56 H56 120.1 .
C55 C57 C56 120.3(2) 3_565
C55 C57 H57 119.9 3_565
C56 C57 H57 119.9 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C19 2.0770(14) .
Pd1 C1 2.0954(14) .
Pd1 P4 2.3153(4) .
Pd1 P3 2.3241(4) .
Pd1 Ag1 2.86819(18) .
Ag1 P1 2.4201(4) .
Ag1 P2 2.4265(4) .
P1 C13 1.8169(15) .
P1 C7 1.8246(14) .
P1 C2 1.8283(14) .
P2 C25 1.8209(15) .
P2 C31 1.8210(16) .
P2 C20 1.8279(15) .
P3 C38 1.8106(18) .
P3 C37 1.8119(16) .
P3 C39 1.8147(18) .
P4 C40B 1.807(4) .
P4 C40A 1.808(3) .
P4 C42B 1.810(4) .
P4 C42A 1.811(3) .
P4 C41B 1.812(4) .
P4 C41A 1.813(3) .
F1 C3 1.3425(16) .
F2 C4 1.3375(16) .
F3 C5 1.3456(16) .
F4 C6 1.3639(16) .
F5 C21 1.3501(17) .
F6 C22 1.3442(17) .
F7 C23 1.3410(17) .
F8 C24 1.3582(16) .
C1 C6 1.3859(19) .
C1 C2 1.4200(19) .
C2 C3 1.3967(19) .
C3 C4 1.384(2) .
C4 C5 1.377(2) .
C5 C6 1.384(2) .
C7 C12 1.3949(19) .
C7 C8 1.4004(19) .
C8 C9 1.388(2) .
C8 H8 0.9500 .
C9 C10 1.393(2) .
C9 H9 0.9500 .
C10 C11 1.391(2) .
C10 H10 0.9500 .
C11 C12 1.390(2) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.390(2) .
C13 C18 1.395(2) .
C14 C15 1.390(2) .
C14 H14 0.9500 .
C15 C16 1.378(3) .
C15 H15 0.9500 .
C16 C17 1.381(3) .
C16 H16 0.9500 .
C17 C18 1.387(2) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C24 1.385(2) .
C19 C20 1.4177(19) .
C20 C21 1.394(2) .
C21 C22 1.382(2) .
C22 C23 1.379(2) .
C23 C24 1.380(2) .
C25 C30 1.393(2) .
C25 C26 1.393(2) .
C26 C27 1.394(2) .
C26 H26 0.9500 .
C27 C28 1.386(2) .
C27 H27 0.9500 .
C28 C29 1.382(2) .
C28 H28 0.9500 .
C29 C30 1.389(2) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.392(2) .
C31 C36 1.394(2) .
C32 C33 1.389(2) .
C32 H32 0.9500 .
C33 C34 1.380(3) .
C33 H33 0.9500 .
C34 C35 1.376(3) .
C34 H34 0.9500 .
C35 C36 1.393(3) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40A H40A 0.9800 .
C40A H40B 0.9800 .
C40A H40C 0.9800 .
C41A H41A 0.9800 .
C41A H41B 0.9800 .
C41A H41C 0.9800 .
C42A H42A 0.9800 .
C42A H42B 0.9800 .
C42A H42C 0.9800 .
C40B H40D 0.9800 .
C40B H40E 0.9800 .
C40B H40F 0.9800 .
C41B H41D 0.9800 .
C41B H41E 0.9800 .
C41B H41F 0.9800 .
C42B H42D 0.9800 .
C42B H42E 0.9800 .
C42B H42F 0.9800 .
P5A F10A 1.5910(14) .
P5A F13A 1.5942(14) .
P5A F9A 1.5963(14) .
P5A F12A 1.6060(13) .
P5A F11A 1.6097(13) .
P5A F14A 1.6188(14) .
P5B F12B 1.594(7) .
P5B F9B 1.595(7) .
P5B F13B 1.595(7) .
P5B F11B 1.595(7) .
P5B F10B 1.596(7) .
P5B F14B 1.596(7) .
C43 C44 1.380(3) .
C43 C48 1.384(3) .
C43 H43 0.9500 .
C44 C45 1.386(3) .
C44 H44 0.9500 .
C45 C46 1.382(3) .
C45 H45 0.9500 .
C46 C47 1.376(3) .
C46 H46 0.9500 .
C47 C48 1.383(3) .
C47 H47 0.9500 .
C48 H48 0.9500 .
C49A C50A 1.3900 .
C49A C54A 1.3900 .
C49A H49A 0.9500 .
C50A C51A 1.3900 .
C50A H50A 0.9500 .
C51A C52A 1.3900 .
C51A H51A 0.9500 .
C52A C53A 1.3900 .
C52A H52A 0.9500 .
C53A C54A 1.3900 .
C53A H53A 0.9500 .
C54A H54A 0.9500 .
C49B C50B 1.3900 .
C49B C54B 1.3900 .
C49B H49B 0.9500 .
C50B C51B 1.3900 .
C50B H50B 0.9500 .
C51B C52B 1.3900 .
C51B H51B 0.9500 .
C52B C53B 1.3900 .
C52B H52B 0.9500 .
C53B C54B 1.3900 .
C53B H53B 0.9500 .
C54B H54B 0.9500 .
C55 C57 1.389(2) 3_565
C55 C56 1.391(2) .
C55 H55 0.9500 .
C56 C57 1.393(2) .
C56 H56 0.9500 .
C57 C55 1.389(8) 3_565
C57 H57 0.9500 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C19 Pd1 Ag1 P1 174.62(4) . .
C1 Pd1 Ag1 P1 -9.28(4) . .
P4 Pd1 Ag1 P1 -96.630(13) . .
P3 Pd1 Ag1 P1 83.989(14) . .
C19 Pd1 Ag1 P2 12.23(4) . .
C1 Pd1 Ag1 P2 -171.67(4) . .
P4 Pd1 Ag1 P2 100.981(13) . .
P3 Pd1 Ag1 P2 -78.400(14) . .
P2 Ag1 P1 C13 -38.53(7) . .
Pd1 Ag1 P1 C13 -100.33(5) . .
P2 Ag1 P1 C7 -154.75(6) . .
Pd1 Ag1 P1 C7 143.45(5) . .
P2 Ag1 P1 C2 76.81(6) . .
Pd1 Ag1 P1 C2 15.01(5) . .
P1 Ag1 P2 C25 159.04(6) . .
Pd1 Ag1 P2 C25 -138.95(5) . .
P1 Ag1 P2 C31 39.01(7) . .
Pd1 Ag1 P2 C31 101.02(5) . .
P1 Ag1 P2 C20 -77.69(7) . .
Pd1 Ag1 P2 C20 -15.67(5) . .
C19 Pd1 P3 C38 -138.43(9) . .
C1 Pd1 P3 C38 47.02(9) . .
P4 Pd1 P3 C38 137.41(10) . .
Ag1 Pd1 P3 C38 -45.56(8) . .
C19 Pd1 P3 C37 -13.18(8) . .
C1 Pd1 P3 C37 172.27(8) . .
P4 Pd1 P3 C37 -97.35(9) . .
Ag1 Pd1 P3 C37 79.68(7) . .
C19 Pd1 P3 C39 102.92(9) . .
C1 Pd1 P3 C39 -71.63(9) . .
P4 Pd1 P3 C39 18.75(11) . .
Ag1 Pd1 P3 C39 -164.22(8) . .
C19 Pd1 P4 C40B 136.8(8) . .
C1 Pd1 P4 C40B -48.0(8) . .
P3 Pd1 P4 C40B -139.0(8) . .
Ag1 Pd1 P4 C40B 43.9(8) . .
C19 Pd1 P4 C40A 153.4(3) . .
C1 Pd1 P4 C40A -31.4(3) . .
P3 Pd1 P4 C40A -122.3(3) . .
Ag1 Pd1 P4 C40A 60.6(3) . .
C19 Pd1 P4 C42B 12.2(7) . .
C1 Pd1 P4 C42B -172.6(7) . .
P3 Pd1 P4 C42B 96.5(8) . .
Ag1 Pd1 P4 C42B -80.6(7) . .
C19 Pd1 P4 C42A 28.1(2) . .
C1 Pd1 P4 C42A -156.7(2) . .
P3 Pd1 P4 C42A 112.4(2) . .
Ag1 Pd1 P4 C42A -64.7(2) . .
C19 Pd1 P4 C41B -105.1(7) . .
C1 Pd1 P4 C41B 70.1(7) . .
P3 Pd1 P4 C41B -20.8(7) . .
Ag1 Pd1 P4 C41B 162.0(7) . .
C19 Pd1 P4 C41A -89.6(3) . .
C1 Pd1 P4 C41A 85.6(3) . .
P3 Pd1 P4 C41A -5.3(3) . .
Ag1 Pd1 P4 C41A 177.6(2) . .
P4 Pd1 C1 C6 -83.86(11) . .
P3 Pd1 C1 C6 84.10(11) . .
Ag1 Pd1 C1 C6 -170.77(11) . .
P4 Pd1 C1 C2 89.37(12) . .
P3 Pd1 C1 C2 -102.66(12) . .
Ag1 Pd1 C1 C2 2.46(12) . .
C6 C1 C2 C3 0.9(2) . .
Pd1 C1 C2 C3 -172.36(10) . .
C6 C1 C2 P1 -177.02(10) . .
Pd1 C1 C2 P1 9.71(17) . .
C13 P1 C2 C3 -78.87(13) . .
C7 P1 C2 C3 32.69(13) . .
Ag1 P1 C2 C3 163.62(10) . .
C13 P1 C2 C1 99.05(12) . .
C7 P1 C2 C1 -149.40(11) . .
Ag1 P1 C2 C1 -18.47(12) . .
C1 C2 C3 F1 -177.99(13) . .
P1 C2 C3 F1 -0.10(19) . .
C1 C2 C3 C4 0.5(2) . .
P1 C2 C3 C4 178.36(11) . .
F1 C3 C4 F2 -0.8(2) . .
C2 C3 C4 F2 -179.34(13) . .
F1 C3 C4 C5 177.33(13) . .
C2 C3 C4 C5 -1.2(2) . .
F2 C4 C5 F3 -1.6(2) . .
C3 C4 C5 F3 -179.78(13) . .
F2 C4 C5 C6 178.64(13) . .
C3 C4 C5 C6 0.5(2) . .
F3 C5 C6 F4 -0.4(2) . .
C4 C5 C6 F4 179.34(13) . .
F3 C5 C6 C1 -178.71(13) . .
C4 C5 C6 C1 1.0(2) . .
C2 C1 C6 F4 -179.93(12) . .
Pd1 C1 C6 F4 -5.78(18) . .
C2 C1 C6 C5 -1.7(2) . .
Pd1 C1 C6 C5 172.48(12) . .
C13 P1 C7 C12 -150.39(11) . .
C2 P1 C7 C12 97.40(12) . .
Ag1 P1 C7 C12 -31.58(12) . .
C13 P1 C7 C8 22.56(13) . .
C2 P1 C7 C8 -89.66(13) . .
Ag1 P1 C7 C8 141.36(10) . .
C12 C7 C8 C9 -0.8(2) . .
P1 C7 C8 C9 -173.59(11) . .
C7 C8 C9 C10 1.4(2) . .
C8 C9 C10 C11 -1.0(2) . .
C9 C10 C11 C12 -0.1(2) . .
C10 C11 C12 C7 0.7(2) . .
C8 C7 C12 C11 -0.3(2) . .
P1 C7 C12 C11 172.89(11) . .
C7 P1 C13 C14 -93.50(15) . .
C2 P1 C13 C14 22.98(16) . .
Ag1 P1 C13 C14 142.87(13) . .
C7 P1 C13 C18 86.24(13) . .
C2 P1 C13 C18 -157.27(12) . .
Ag1 P1 C13 C18 -37.39(13) . .
C18 C13 C14 C15 1.4(3) . .
P1 C13 C14 C15 -178.86(15) . .
C13 C14 C15 C16 -1.4(3) . .
C14 C15 C16 C17 0.2(3) . .
C15 C16 C17 C18 1.0(3) . .
C16 C17 C18 C13 -1.0(3) . .
C14 C13 C18 C17 -0.2(2) . .
P1 C13 C18 C17 -179.96(14) . .
P4 Pd1 C19 C24 83.07(11) . .
P3 Pd1 C19 C24 -84.97(11) . .
Ag1 Pd1 C19 C24 170.00(11) . .
P4 Pd1 C19 C20 -96.45(13) . .
P3 Pd1 C19 C20 95.51(13) . .
Ag1 Pd1 C19 C20 -9.51(13) . .
C24 C19 C20 C21 0.2(2) . .
Pd1 C19 C20 C21 179.68(12) . .
C24 C19 C20 P2 178.69(11) . .
Pd1 C19 C20 P2 -1.79(18) . .
C25 P2 C20 C21 -38.01(15) . .
C31 P2 C20 C21 75.28(14) . .
Ag1 P2 C20 C21 -166.39(12) . .
C25 P2 C20 C19 143.48(12) . .
C31 P2 C20 C19 -103.23(12) . .
Ag1 P2 C20 C19 15.10(13) . .
C19 C20 C21 F5 179.12(14) . .
P2 C20 C21 F5 0.6(2) . .
C19 C20 C21 C22 -0.7(2) . .
P2 C20 C21 C22 -179.16(13) . .
F5 C21 C22 F6 0.3(3) . .
C20 C21 C22 F6 -179.87(16) . .
F5 C21 C22 C23 -179.53(15) . .
C20 C21 C22 C23 0.3(3) . .
F6 C22 C23 F7 1.3(3) . .
C21 C22 C23 F7 -178.86(16) . .
F6 C22 C23 C24 -179.24(15) . .
C21 C22 C23 C24 0.6(3) . .
F7 C23 C24 F8 -1.1(2) . .
C22 C23 C24 F8 179.41(15) . .
F7 C23 C24 C19 178.29(15) . .
C22 C23 C24 C19 -1.2(3) . .
C20 C19 C24 F8 -179.85(13) . .
Pd1 C19 C24 F8 0.58(19) . .
C20 C19 C24 C23 0.8(2) . .
Pd1 C19 C24 C23 -178.81(13) . .
C31 P2 C25 C30 -174.54(12) . .
C20 P2 C25 C30 -62.02(14) . .
Ag1 P2 C25 C30 64.54(13) . .
C31 P2 C25 C26 11.66(14) . .
C20 P2 C25 C26 124.18(13) . .
Ag1 P2 C25 C26 -109.26(12) . .
C30 C25 C26 C27 0.3(2) . .
P2 C25 C26 C27 174.00(12) . .
C25 C26 C27 C28 0.2(2) . .
C26 C27 C28 C29 -0.3(3) . .
C27 C28 C29 C30 -0.2(3) . .
C28 C29 C30 C25 0.7(3) . .
C26 C25 C30 C29 -0.8(2) . .
P2 C25 C30 C29 -174.82(14) . .
C25 P2 C31 C32 -122.53(12) . .
C20 P2 C31 C32 124.37(13) . .
Ag1 P2 C31 C32 3.09(13) . .
C25 P2 C31 C36 58.04(15) . .
C20 P2 C31 C36 -55.06(15) . .
Ag1 P2 C31 C36 -176.34(12) . .
C36 C31 C32 C33 0.0(3) . .
P2 C31 C32 C33 -179.51(14) . .
C31 C32 C33 C34 0.3(3) . .
C32 C33 C34 C35 -0.5(3) . .
C33 C34 C35 C36 0.3(3) . .
C34 C35 C36 C31 0.0(3) . .
C32 C31 C36 C35 -0.1(3) . .
P2 C31 C36 C35 179.33(14) . .
C48 C43 C44 C45 0.0(3) . .
C43 C44 C45 C46 0.5(3) . .
C44 C45 C46 C47 -0.4(3) . .
C45 C46 C47 C48 -0.2(3) . .
C46 C47 C48 C43 0.7(3) . .
C44 C43 C48 C47 -0.6(3) . .
C54A C49A C50A C51A 0.0 . .
C49A C50A C51A C52A 0.0 . .
C50A C51A C52A C53A 0.0 . .
C51A C52A C53A C54A 0.0 . .
C52A C53A C54A C49A 0.0 . .
C50A C49A C54A C53A 0.0 . .
C54B C49B C50B C51B 0.0 . .
C49B C50B C51B C52B 0.0 . .
C50B C51B C52B C53B 0.0 . .
C51B C52B C53B C54B 0.0 . .
C52B C53B C54B C49B 0.0 . .
C50B C49B C54B C53B 0.0 . .
C57 C55 C56 C57 0.3(3) 3_565 .
C55 C56 C57 C55 -0.3(7) . 3_565
