#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:39:25 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272671 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/92/7709296.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_7709296
loop_
_publ_author_name
'Yamamoto, Koji'
'Sugawa, Tsuyoshi'
'Kondo, Mio'
'Masaoka, Shigeyuki'
'Murahashi, Tetsuro'
_publ_section_title
;
 Bridging coordination of acenaphthylene to a Pd₃ chain or a
 Pd₄ sheet cluster.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1901
_journal_page_last               1906
_journal_paper_doi               10.1039/d1dt04071e
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C71.5 H62 Cl F12 P4 Pd4'
_chemical_formula_sum            'C71.5 H62 Cl F12 P4 Pd4'
_chemical_formula_weight         1734.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-10-19 deposited with the CCDC.	2021-12-20 downloaded from the CCDC.
;
_cell_angle_alpha                115.3717(9)
_cell_angle_beta                 97.0350(12)
_cell_angle_gamma                90.4714(12)
_cell_formula_units_Z            2
_cell_length_a                   10.7362(4)
_cell_length_b                   18.4776(6)
_cell_length_c                   19.2924(6)
_cell_measurement_reflns_used    38746
_cell_measurement_temperature    165
_cell_measurement_theta_max      27.55
_cell_measurement_theta_min      3.00
_cell_volume                     3424.2(2)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      165
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            60364
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.003
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.241
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1720.00
_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.124
_refine_diff_density_max         2.52
_refine_diff_density_min         -1.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     837
_refine_ls_number_reflns         15467
_refine_ls_number_restraints     184
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0668
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1079P)²+22.6097P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1996
_refine_ls_wR_factor_ref         0.2125
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12308
_reflns_number_total             15467
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d1dt04071e2.cif
_cod_data_source_block           acenaph718
_cod_depositor_comments
'Adding full bibliography for 7709295--7709296.cif.'
_cod_original_cell_volume        3424.1(2)
_cod_database_code               7709296
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
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
Pd1 Pd 0.50931(5) 0.24740(3) 0.41271(3) 0.03238(14) Uani 1 1 d . . . . .
Pd2 Pd 0.39973(5) 0.31062(3) 0.54696(3) 0.03204(14) Uani 1 1 d . . . . .
Pd3 Pd 0.56282(5) 0.37879(3) 0.68524(3) 0.03455(14) Uani 1 1 d . . . . .
Pd4 Pd 0.66714(5) 0.34125(3) 0.54920(3) 0.03085(14) Uani 1 1 d . . . . .
Cl1 Cl 0.400(2) 0.0335(14) 0.5794(13) 0.288(10) Uiso 0.5 1 d D . P . .
Cl2 Cl 0.661(2) 0.0431(14) 0.5736(13) 0.290(10) Uiso 0.5 1 d D . P . .
P1 P 0.47913(18) 0.16423(10) 0.27962(10) 0.0334(4) Uani 1 1 d . . . . .
P2 P 0.58479(18) 0.42000(10) 0.82016(10) 0.0336(4) Uani 1 1 d . . . . .
P3 P 0.0862(2) 0.61814(14) 0.70399(14) 0.0554(6) Uani 1 1 d . . . . .
P4 P -0.0628(3) -0.22302(17) 0.22280(16) 0.0607(6) Uani 1 1 d . . . . .
F1 F 0.0293(8) 0.5716(5) 0.6174(4) 0.108(3) Uani 1 1 d . . . . .
F2 F 0.128(2) 0.5388(8) 0.6984(7) 0.242(10) Uani 1 1 d . . . . .
F3 F 0.1501(9) 0.6609(5) 0.7915(4) 0.114(3) Uani 1 1 d . . . . .
F4 F 0.0602(18) 0.7010(6) 0.7118(6) 0.201(7) Uani 1 1 d . . . . .
F5 F 0.2061(12) 0.6322(11) 0.6746(6) 0.245(10) Uani 1 1 d . . . . .
F6 F -0.0291(10) 0.6039(9) 0.7332(5) 0.178(6) Uani 1 1 d . . . . .
F7 F 0.0105(8) -0.2717(7) 0.1511(5) 0.121(3) Uani 1 1 d . . . . .
F8 F -0.1623(9) -0.2103(8) 0.1640(6) 0.153(5) Uani 1 1 d . . . . .
F9 F -0.1378(14) -0.1764(8) 0.2888(6) 0.176(6) Uani 1 1 d . . . . .
F10 F 0.0429(8) -0.2374(8) 0.2794(6) 0.137(4) Uani 1 1 d . . . . .
F11 F -0.1396(12) -0.2994(7) 0.2088(8) 0.167(5) Uani 1 1 d . . . . .
F12 F 0.0096(16) -0.1484(7) 0.2308(8) 0.199(7) Uani 1 1 d . . . . .
C1 C 0.6294(7) 0.1697(4) 0.4559(4) 0.0337(14) Uani 1 1 d . . . . .
H1 H 0.659910 0.141800 0.407748 0.040 Uiso 1 1 calc R U . . .
C2 C 0.5006(7) 0.1522(4) 0.4525(4) 0.0360(15) Uani 1 1 d . . . . .
H2 H 0.464149 0.112489 0.403167 0.043 Uiso 1 1 calc R U . . .
C3 C 0.4100(7) 0.1810(4) 0.5073(4) 0.0392(16) Uani 1 1 d . . . . .
H3 H 0.325348 0.171098 0.482689 0.047 Uiso 1 1 calc R U . . .
C4 C 0.4205(7) 0.2203(4) 0.5889(4) 0.0364(15) Uani 1 1 d . . . . .
H4 H 0.341276 0.231361 0.607068 0.044 Uiso 1 1 calc R U . . .
C5 C 0.5256(8) 0.2476(4) 0.6513(4) 0.0383(15) Uani 1 1 d . . . . .
H5 H 0.501661 0.256235 0.699922 0.046 Uiso 1 1 calc R U . . .
C6 C 0.6560(8) 0.2640(4) 0.6551(4) 0.0390(16) Uani 1 1 d . . . . .
H6 H 0.700979 0.281365 0.705710 0.047 Uiso 1 1 calc R U . . .
C7 C 0.7340(7) 0.2599(4) 0.5989(4) 0.0361(15) Uani 1 1 d . . . . .
H7 H 0.811574 0.290851 0.622080 0.043 Uiso 1 1 calc R U . . .
C8 C 0.7243(7) 0.2210(4) 0.5168(4) 0.0369(15) Uani 1 1 d . . . . .
H8 H 0.797125 0.231270 0.498087 0.044 Uiso 1 1 calc R U . . .
C9 C 0.5406(8) 0.3652(4) 0.4037(4) 0.0403(16) Uani 1 1 d . . . . .
H9 H 0.579930 0.345222 0.358138 0.048 Uiso 1 1 calc R U . . .
C10 C 0.4092(7) 0.3489(4) 0.3996(4) 0.0388(16) Uani 1 1 d . . . . .
H10 H 0.361295 0.318964 0.350195 0.047 Uiso 1 1 calc R U . . .
C11 C 0.3465(7) 0.3758(4) 0.4670(4) 0.0379(15) Uani 1 1 d . . . . .
H11 H 0.259063 0.362614 0.461771 0.045 Uiso 1 1 calc R U . . .
C12 C 0.4153(7) 0.4224(4) 0.5417(4) 0.0370(15) Uani 1 1 d . . . . .
C13 C 0.3706(8) 0.4467(4) 0.6139(4) 0.0412(16) Uani 1 1 d . . . . .
H13 H 0.284632 0.436360 0.615977 0.049 Uiso 1 1 calc R U . . .
C14 C 0.4564(8) 0.4869(4) 0.6833(4) 0.0435(17) Uani 1 1 d . . . . .
H14 H 0.424614 0.504533 0.731378 0.052 Uiso 1 1 calc R U . . .
C15 C 0.5862(8) 0.5019(4) 0.6848(4) 0.0449(18) Uani 1 1 d . . . . .
H15 H 0.640217 0.527971 0.732580 0.054 Uiso 1 1 calc R U . . .
C16 C 0.6342(7) 0.4769(4) 0.6129(4) 0.0384(15) Uani 1 1 d . . . . .
C17 C 0.5464(7) 0.4382(4) 0.5438(4) 0.0357(14) Uani 1 1 d . . . . .
C18 C 0.6117(7) 0.4121(4) 0.4778(4) 0.0357(14) Uani 1 1 d . . . . .
C19 C 0.7423(8) 0.4411(5) 0.5075(5) 0.0451(17) Uani 1 1 d . . . . .
H19 H 0.807800 0.435030 0.476876 0.054 Uiso 1 1 calc R U . . .
C20 C 0.7559(8) 0.4790(5) 0.5874(5) 0.0494(19) Uani 1 1 d . . . . .
H20 H 0.832541 0.502652 0.620543 0.059 Uiso 1 1 calc R U . . .
C21 C 0.4491(8) 0.2177(4) 0.2191(4) 0.0413(17) Uani 1 1 d . . . . .
C22 C 0.3256(9) 0.2281(5) 0.1968(5) 0.052(2) Uani 1 1 d . . . . .
H22 H 0.259367 0.204242 0.210087 0.062 Uiso 1 1 calc R U . . .
C23 C 0.2967(10) 0.2728(5) 0.1555(5) 0.060(2) Uani 1 1 d . . . . .
H23 H 0.211639 0.280947 0.141890 0.072 Uiso 1 1 calc R U . . .
C24 C 0.3948(12) 0.3056(5) 0.1341(5) 0.066(3) Uani 1 1 d . . . . .
H24 H 0.375802 0.333941 0.103472 0.080 Uiso 1 1 calc R U . . .
C25 C 0.5166(11) 0.2975(5) 0.1565(5) 0.059(2) Uani 1 1 d . . . . .
H25 H 0.582117 0.322201 0.143486 0.071 Uiso 1 1 calc R U . . .
C26 C 0.5464(9) 0.2527(5) 0.1990(5) 0.0469(18) Uani 1 1 d . . . . .
H26 H 0.631761 0.246322 0.213971 0.056 Uiso 1 1 calc R U . . .
C27 C 0.3461(7) 0.0904(4) 0.2433(4) 0.0364(14) Uani 1 1 d . . . . .
C28 C 0.2646(7) 0.0844(5) 0.2921(4) 0.0384(15) Uani 1 1 d . . . . .
H28 H 0.274635 0.121884 0.345140 0.046 Uiso 1 1 calc R U . . .
C29 C 0.1697(8) 0.0244(5) 0.2633(5) 0.0477(18) Uani 1 1 d . . . . .
H29 H 0.115153 0.020457 0.296987 0.057 Uiso 1 1 calc R U . . .
C30 C 0.1525(8) -0.0301(5) 0.1866(5) 0.0484(18) Uani 1 1 d . . . . .
H30 H 0.088202 -0.072270 0.167891 0.058 Uiso 1 1 calc R U . . .
C31 C 0.2295(7) -0.0233(4) 0.1365(5) 0.0437(17) Uani 1 1 d . . . . .
H31 H 0.216236 -0.059871 0.083220 0.052 Uiso 1 1 calc R U . . .
C32 C 0.3256(8) 0.0369(4) 0.1643(4) 0.0411(16) Uani 1 1 d . . . . .
H32 H 0.377423 0.041972 0.129854 0.049 Uiso 1 1 calc R U . . .
C33 C 0.6155(7) 0.1042(4) 0.2547(4) 0.0373(14) Uani 1 1 d D U . . .
C34 C 0.6057(7) 0.0226(4) 0.2364(5) 0.0451(17) Uani 1 1 d D U . . .
H34 H 0.525912 -0.002766 0.231951 0.054 Uiso 1 1 calc R U . . .
C35 C 0.7105(8) -0.0219(5) 0.2246(6) 0.060(2) Uani 1 1 d D U . . .
H35 H 0.702953 -0.077223 0.213290 0.072 Uiso 1 1 calc R U . . .
C36 C 0.8257(9) 0.0143(6) 0.2294(6) 0.069(3) Uani 1 1 d D U . . .
H36 H 0.897183 -0.016590 0.218842 0.083 Uiso 1 1 calc R U . . .
C37 C 0.8375(9) 0.0969(6) 0.2499(6) 0.065(2) Uani 1 1 d D U . . .
H37 H 0.917381 0.122086 0.254121 0.078 Uiso 1 1 calc R U . . .
C38 C 0.7328(8) 0.1420(5) 0.2641(5) 0.0523(19) Uani 1 1 d D U . . .
H38 H 0.741434 0.198277 0.280185 0.063 Uiso 1 1 calc R U . . .
C39 C 0.7249(7) 0.4819(4) 0.8765(4) 0.0362(14) Uani 1 1 d . . . . .
C40 C 0.8084(7) 0.5093(5) 0.8420(4) 0.0406(16) Uani 1 1 d . . . . .
H40 H 0.795287 0.491006 0.787396 0.049 Uiso 1 1 calc R U . . .
C41 C 0.9094(8) 0.5623(6) 0.8849(5) 0.052(2) Uani 1 1 d . . . . .
H41 H 0.965219 0.580659 0.860353 0.062 Uiso 1 1 calc R U . . .
C42 C 0.9288(8) 0.5887(5) 0.9652(5) 0.0509(19) Uani 1 1 d . . . . .
H42 H 0.996315 0.627082 0.995582 0.061 Uiso 1 1 calc R U . . .
C43 C 0.8512(8) 0.5598(5) 1.0007(4) 0.0450(17) Uani 1 1 d . . . . .
H43 H 0.867734 0.575837 1.054912 0.054 Uiso 1 1 calc R U . . .
C44 C 0.7496(7) 0.5074(4) 0.9570(4) 0.0388(15) Uani 1 1 d . . . . .
H44 H 0.695299 0.488197 0.981733 0.047 Uiso 1 1 calc R U . . .
C45 C 0.4516(7) 0.4789(4) 0.8585(4) 0.0361(14) Uani 1 1 d . . . . .
C46 C 0.4664(7) 0.5536(4) 0.9202(4) 0.0376(15) Uani 1 1 d . . . . .
H46 H 0.547460 0.574253 0.948745 0.045 Uiso 1 1 calc R U . . .
C47 C 0.3628(8) 0.5992(5) 0.9411(5) 0.0435(17) Uani 1 1 d . . . . .
H47 H 0.373718 0.651331 0.982955 0.052 Uiso 1 1 calc R U . . .
C48 C 0.2460(8) 0.5690(5) 0.9016(5) 0.0482(19) Uani 1 1 d . . . . .
H48 H 0.175601 0.600365 0.915529 0.058 Uiso 1 1 calc R U . . .
C49 C 0.2297(9) 0.4922(5) 0.8408(5) 0.0518(19) Uani 1 1 d . . . . .
H49 H 0.147707 0.470426 0.814623 0.062 Uiso 1 1 calc R U . . .
C50 C 0.3302(8) 0.4486(5) 0.8189(5) 0.0448(17) Uani 1 1 d . . . . .
H50 H 0.318595 0.396977 0.776379 0.054 Uiso 1 1 calc R U . . .
C51 C 0.5824(7) 0.3367(4) 0.8478(4) 0.0340(14) Uani 1 1 d . . . . .
C52 C 0.6938(8) 0.2981(4) 0.8505(4) 0.0413(16) Uani 1 1 d . . . . .
H52 H 0.769836 0.318219 0.842460 0.050 Uiso 1 1 calc R U . . .
C53 C 0.6929(8) 0.2307(5) 0.8647(5) 0.0478(18) Uani 1 1 d . . . . .
H53 H 0.768317 0.204525 0.866283 0.057 Uiso 1 1 calc R U . . .
C54 C 0.5815(9) 0.2011(5) 0.8769(5) 0.052(2) Uani 1 1 d . . . . .
H54 H 0.580845 0.154992 0.886728 0.062 Uiso 1 1 calc R U . . .
C55 C 0.4743(9) 0.2389(5) 0.8744(5) 0.053(2) Uani 1 1 d . . . . .
H55 H 0.398759 0.218642 0.882860 0.063 Uiso 1 1 calc R U . . .
C56 C 0.4723(8) 0.3061(5) 0.8600(4) 0.0434(17) Uani 1 1 d . . . . .
H56 H 0.396011 0.331395 0.858429 0.052 Uiso 1 1 calc R U . . .
C57 C -0.0133(11) 0.8875(6) 0.9200(7) 0.069(3) Uani 1 1 d . . . . .
H57 H -0.014669 0.915514 0.888532 0.083 Uiso 1 1 calc R U . . .
C58 C 0.0687(12) 0.8289(7) 0.9114(7) 0.077(3) Uani 1 1 d . . . . .
H58 H 0.122907 0.815950 0.872899 0.092 Uiso 1 1 calc R U . . .
C59 C 0.0747(13) 0.7879(6) 0.9574(7) 0.082(3) Uani 1 1 d . . . . .
H59 H 0.134354 0.748887 0.952605 0.098 Uiso 1 1 calc R U . . .
C60 C -0.0114(14) 0.8064(7) 1.0117(6) 0.083(4) Uani 1 1 d . . . . .
H60 H -0.011361 0.778631 1.043270 0.099 Uiso 1 1 calc R U . . .
C61 C -0.0951(11) 0.8642(7) 1.0191(6) 0.071(3) Uani 1 1 d . . . . .
H61 H -0.154051 0.876090 1.054739 0.085 Uiso 1 1 calc R U . . .
C62 C -0.0917(11) 0.9051(7) 0.9731(6) 0.071(3) Uani 1 1 d . . . . .
H62 H -0.146693 0.946874 0.979692 0.086 Uiso 1 1 calc R U . . .
C63 C 0.0291(13) 0.3167(12) 0.4858(11) 0.121(5) Uani 1 1 d D U . . .
H63 H 0.010269 0.354481 0.465284 0.145 Uiso 1 1 calc R U . . .
C64 C 0.0335(14) 0.2375(13) 0.4366(9) 0.129(5) Uani 1 1 d D U . . .
H64 H 0.020585 0.220755 0.382210 0.154 Uiso 1 1 calc R U . . .
C65 C 0.0565(13) 0.1824(10) 0.4652(9) 0.116(5) Uani 1 1 d D U . . .
H65 H 0.056870 0.127094 0.430956 0.139 Uiso 1 1 calc R U . . .
C66 C 0.0790(12) 0.2075(9) 0.5438(9) 0.098(3) Uani 1 1 d D U . . .
H66 H 0.097858 0.169841 0.564469 0.118 Uiso 1 1 calc R U . . .
C67 C 0.0742(11) 0.2865(9) 0.5922(7) 0.090(3) Uani 1 1 d D U . . .
H67 H 0.087047 0.303061 0.646568 0.108 Uiso 1 1 calc R U . . .
C68 C 0.0517(12) 0.3422(10) 0.5650(10) 0.106(4) Uani 1 1 d D U . . .
H68 H 0.051422 0.397437 0.599448 0.127 Uiso 1 1 calc R U . . .
C69 C 0.5638(14) 0.0755(8) 0.0287(7) 0.087(4) Uani 1 1 d . . . . .
H69 H 0.608225 0.126542 0.048150 0.105 Uiso 1 1 calc R U . . .
C70 C 0.4506(13) 0.0621(9) -0.0129(7) 0.083(4) Uani 1 1 d . . . . .
H70 H 0.414251 0.104343 -0.022160 0.100 Uiso 1 1 calc R U . . .
C71 C 0.3829(12) -0.0135(9) -0.0436(6) 0.081(3) Uani 1 1 d . . . . .
H71 H 0.302694 -0.022232 -0.073813 0.097 Uiso 1 1 calc R U . . .
C72 C 0.515(2) 0.008(2) 0.5123(14) 0.042(7) Uiso 0.25 1 d D . P A -1
H72A H 0.511778 -0.050995 0.480343 0.050 Uiso 0.25 1 calc R U P A -1
H72B H 0.500333 0.034748 0.477704 0.050 Uiso 0.25 1 calc R U P A -1
C73 C 0.546(2) 0.0682(17) 0.6377(14) 0.042(6) Uiso 0.25 1 d D . P A .
H73A H 0.560553 0.042139 0.673085 0.050 Uiso 0.25 1 calc R U P . .
H73B H 0.548769 0.127056 0.669142 0.050 Uiso 0.25 1 calc R U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.9988 1.0072
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(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
C2 Pd1 C10 145.7(3) . . ?
C2 Pd1 C1 36.4(3) . . ?
C10 Pd1 C1 165.6(2) . . ?
C2 Pd1 C9 165.3(3) . . ?
C10 Pd1 C9 36.6(3) . . ?
C1 Pd1 C9 136.0(3) . . ?
C2 Pd1 P1 97.49(18) . . ?
C10 Pd1 P1 93.73(19) . . ?
C1 Pd1 P1 100.05(17) . . ?
C9 Pd1 P1 96.65(19) . . ?
C2 Pd1 Pd2 73.45(18) . . ?
C10 Pd1 Pd2 79.1(2) . . ?
C1 Pd1 Pd2 91.60(17) . . ?
C9 Pd1 Pd2 96.79(19) . . ?
P1 Pd1 Pd2 145.96(5) . . ?
C2 Pd1 Pd4 88.86(18) . . ?
C10 Pd1 Pd4 97.07(18) . . ?
C1 Pd1 Pd4 68.76(17) . . ?
C9 Pd1 Pd4 76.80(19) . . ?
P1 Pd1 Pd4 150.54(5) . . ?
Pd2 Pd1 Pd4 63.345(19) . . ?
C12 Pd2 C4 160.9(3) . . ?
C12 Pd2 C3 156.8(3) . . ?
C4 Pd2 C3 38.0(3) . . ?
C12 Pd2 C13 36.8(3) . . ?
C4 Pd2 C13 129.6(3) . . ?
C3 Pd2 C13 166.4(3) . . ?
C12 Pd2 C11 36.7(3) . . ?
C4 Pd2 C11 162.4(3) . . ?
C3 Pd2 C11 125.6(3) . . ?
C13 Pd2 C11 65.7(3) . . ?
C12 Pd2 Pd1 86.7(2) . . ?
C4 Pd2 Pd1 103.24(19) . . ?
C3 Pd2 Pd1 70.3(2) . . ?
C13 Pd2 Pd1 123.25(19) . . ?
C11 Pd2 Pd1 67.36(19) . . ?
C12 Pd2 Pd3 87.5(2) . . ?
C4 Pd2 Pd3 73.50(19) . . ?
C3 Pd2 Pd3 104.81(19) . . ?
C13 Pd2 Pd3 69.29(19) . . ?
C11 Pd2 Pd3 123.80(17) . . ?
Pd1 Pd2 Pd3 116.41(2) . . ?
C12 Pd2 Pd4 74.8(2) . . ?
C4 Pd2 Pd4 96.3(2) . . ?
C3 Pd2 Pd4 94.6(2) . . ?
C13 Pd2 Pd4 92.4(2) . . ?
C11 Pd2 Pd4 91.29(19) . . ?
Pd1 Pd2 Pd4 58.705(18) . . ?
Pd3 Pd2 Pd4 58.718(18) . . ?
C6 Pd3 C5 37.0(3) . . ?
C6 Pd3 C15 141.8(3) . . ?
C5 Pd3 C15 164.5(3) . . ?
C6 Pd3 C14 165.7(3) . . ?
C5 Pd3 C14 139.4(3) . . ?
C15 Pd3 C14 35.7(3) . . ?
C6 Pd3 P2 97.01(19) . . ?
C5 Pd3 P2 96.22(19) . . ?
C15 Pd3 P2 99.08(19) . . ?
C14 Pd3 P2 97.26(19) . . ?
C6 Pd3 Pd2 90.79(19) . . ?
C5 Pd3 Pd2 70.62(19) . . ?
C15 Pd3 Pd2 95.15(19) . . ?
C14 Pd3 Pd2 76.7(2) . . ?
P2 Pd3 Pd2 145.45(5) . . ?
C6 Pd3 Pd4 71.38(19) . . ?
C5 Pd3 Pd4 89.88(19) . . ?
C15 Pd3 Pd4 77.9(2) . . ?
C14 Pd3 Pd4 96.38(19) . . ?
P2 Pd3 Pd4 150.90(5) . . ?
Pd2 Pd3 Pd4 63.084(18) . . ?
C8 Pd4 C7 38.2(3) . . ?
C8 Pd4 C17 156.9(3) . . ?
C7 Pd4 C17 153.2(3) . . ?
C8 Pd4 C18 132.2(3) . . ?
C7 Pd4 C18 169.9(3) . . ?
C17 Pd4 C18 36.6(3) . . ?
C8 Pd4 C16 166.0(3) . . ?
C7 Pd4 C16 128.6(3) . . ?
C17 Pd4 C16 36.4(2) . . ?
C18 Pd4 C16 60.6(3) . . ?
C8 Pd4 C20 140.9(3) . . ?
C7 Pd4 C20 126.1(3) . . ?
C17 Pd4 C20 58.1(3) . . ?
C18 Pd4 C20 57.6(3) . . ?
C16 Pd4 C20 35.2(3) . . ?
C8 Pd4 C19 127.6(3) . . ?
C7 Pd4 C19 142.2(3) . . ?
C17 Pd4 C19 58.2(3) . . ?
C18 Pd4 C19 35.1(3) . . ?
C16 Pd4 C19 57.6(3) . . ?
C20 Pd4 C19 32.4(3) . . ?
C8 Pd4 Pd1 75.17(19) . . ?
C7 Pd4 Pd1 106.19(19) . . ?
C17 Pd4 Pd1 81.98(17) . . ?
C18 Pd4 Pd1 68.55(17) . . ?
C16 Pd4 Pd1 118.34(18) . . ?
C20 Pd4 Pd1 125.9(2) . . ?
C19 Pd4 Pd1 96.95(19) . . ?
C8 Pd4 Pd3 104.4(2) . . ?
C7 Pd4 Pd3 71.30(19) . . ?
C17 Pd4 Pd3 82.07(19) . . ?
C18 Pd4 Pd3 118.62(18) . . ?
C16 Pd4 Pd3 67.50(19) . . ?
C20 Pd4 Pd3 95.3(2) . . ?
C19 Pd4 Pd3 124.7(2) . . ?
Pd1 Pd4 Pd3 115.16(2) . . ?
C8 Pd4 Pd2 98.6(2) . . ?
C7 Pd4 Pd2 96.7(2) . . ?
C17 Pd4 Pd2 65.53(19) . . ?
C18 Pd4 Pd2 87.81(18) . . ?
C16 Pd4 Pd2 86.83(19) . . ?
C20 Pd4 Pd2 120.5(2) . . ?
C19 Pd4 Pd2 121.08(19) . . ?
Pd1 Pd4 Pd2 57.950(18) . . ?
Pd3 Pd4 Pd2 58.198(18) . . ?
C73 Cl1 C72 75.0(14) . . ?
C72 Cl2 C73 74.9(15) . . ?
C27 P1 C21 101.8(3) . . ?
C27 P1 C33 104.1(3) . . ?
C21 P1 C33 110.7(4) . . ?
C27 P1 Pd1 116.5(2) . . ?
C21 P1 Pd1 114.2(2) . . ?
C33 P1 Pd1 108.9(2) . . ?
C39 P2 C51 104.7(3) . . ?
C39 P2 C45 106.1(3) . . ?
C51 P2 C45 106.0(3) . . ?
C39 P2 Pd3 116.5(2) . . ?
C51 P2 Pd3 113.9(2) . . ?
C45 P2 Pd3 108.9(2) . . ?
F6 P3 F2 88.8(11) . . ?
F6 P3 F4 96.8(10) . . ?
F2 P3 F4 173.3(12) . . ?
F6 P3 F5 179.2(11) . . ?
F2 P3 F5 90.6(11) . . ?
F4 P3 F5 83.8(11) . . ?
F6 P3 F1 94.0(5) . . ?
F2 P3 F1 86.1(6) . . ?
F4 P3 F1 97.0(6) . . ?
F5 P3 F1 86.4(5) . . ?
F6 P3 F3 87.3(5) . . ?
F2 P3 F3 90.4(6) . . ?
F4 P3 F3 86.3(6) . . ?
F5 P3 F3 92.2(6) . . ?
F1 P3 F3 176.2(6) . . ?
F12 P4 F9 93.8(9) . . ?
F12 P4 F11 175.9(7) . . ?
F9 P4 F11 88.3(8) . . ?
F12 P4 F8 87.3(8) . . ?
F9 P4 F8 90.7(6) . . ?
F11 P4 F8 89.1(7) . . ?
F12 P4 F10 91.9(7) . . ?
F9 P4 F10 92.1(6) . . ?
F11 P4 F10 91.6(7) . . ?
F8 P4 F10 177.1(6) . . ?
F12 P4 F7 86.5(7) . . ?
F9 P4 F7 177.5(6) . . ?
F11 P4 F7 91.3(7) . . ?
F8 P4 F7 86.8(5) . . ?
F10 P4 F7 90.4(5) . . ?
C2 C1 C8 133.4(6) . . ?
C2 C1 Pd1 68.8(4) . . ?
C8 C1 Pd1 108.4(4) . . ?
C2 C1 H1 113.3 . . ?
C8 C1 H1 113.3 . . ?
Pd1 C1 H1 93.3 . . ?
C1 C2 C3 134.7(6) . . ?
C1 C2 Pd1 74.7(4) . . ?
C3 C2 Pd1 102.2(4) . . ?
C1 C2 H2 112.7 . . ?
C3 C2 H2 112.7 . . ?
Pd1 C2 H2 93.9 . . ?
C4 C3 C2 134.1(7) . . ?
C4 C3 Pd2 69.4(4) . . ?
C2 C3 Pd2 109.3(5) . . ?
C4 C3 H3 113.0 . . ?
C2 C3 H3 113.0 . . ?
Pd2 C3 H3 91.5 . . ?
C3 C4 C5 134.2(7) . . ?
C3 C4 Pd2 72.6(4) . . ?
C5 C4 Pd2 107.5(4) . . ?
C3 C4 H4 112.9 . . ?
C5 C4 H4 112.9 . . ?
Pd2 C4 H4 89.8 . . ?
C6 C5 C4 133.7(7) . . ?
C6 C5 Pd3 70.9(4) . . ?
C4 C5 Pd3 106.0(4) . . ?
C6 C5 H5 113.1 . . ?
C4 C5 H5 113.1 . . ?
Pd3 C5 H5 93.8 . . ?
C5 C6 C7 133.4(7) . . ?
C5 C6 Pd3 72.1(4) . . ?
C7 C6 Pd3 105.2(4) . . ?
C5 C6 H6 113.3 . . ?
C7 C6 H6 113.3 . . ?
Pd3 C6 H6 93.3 . . ?
C8 C7 C6 135.8(7) . . ?
C8 C7 Pd4 69.6(4) . . ?
C6 C7 Pd4 108.4(5) . . ?
C8 C7 H7 112.1 . . ?
C6 C7 H7 112.1 . . ?
Pd4 C7 H7 92.5 . . ?
C7 C8 C1 134.4(7) . . ?
C7 C8 Pd4 72.2(4) . . ?
C1 C8 Pd4 105.8(4) . . ?
C7 C8 H8 112.8 . . ?
C1 C8 H8 112.8 . . ?
Pd4 C8 H8 92.6 . . ?
C10 C9 C18 118.5(7) . . ?
C10 C9 Pd1 70.9(4) . . ?
C18 C9 Pd1 100.1(4) . . ?
C10 C9 H9 120.7 . . ?
C18 C9 H9 120.7 . . ?
Pd1 C9 H9 98.6 . . ?
C9 C10 C11 122.7(6) . . ?
C9 C10 Pd1 72.5(4) . . ?
C11 C10 Pd1 98.9(4) . . ?
C9 C10 H10 118.6 . . ?
C11 C10 H10 118.6 . . ?
Pd1 C10 H10 98.7 . . ?
C12 C11 C10 119.9(7) . . ?
C12 C11 Pd2 62.6(4) . . ?
C10 C11 Pd2 114.3(5) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
Pd2 C11 H11 92.8 . . ?
C13 C12 C17 116.8(7) . . ?
C13 C12 C11 126.8(7) . . ?
C17 C12 C11 116.0(6) . . ?
C13 C12 Pd2 79.7(4) . . ?
C17 C12 Pd2 105.3(4) . . ?
C11 C12 Pd2 80.8(4) . . ?
C12 C13 C14 119.0(7) . . ?
C12 C13 Pd2 63.6(4) . . ?
C14 C13 Pd2 113.9(5) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
Pd2 C13 H13 92.3 . . ?
C15 C14 C13 123.7(7) . . ?
C15 C14 Pd3 71.0(4) . . ?
C13 C14 Pd3 100.0(4) . . ?
C15 C14 H14 118.1 . . ?
C13 C14 H14 118.1 . . ?
Pd3 C14 H14 99.3 . . ?
C14 C15 C16 118.5(7) . . ?
C14 C15 Pd3 73.3(4) . . ?
C16 C15 Pd3 98.4(4) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
Pd3 C15 H15 97.9 . . ?
C15 C16 C17 117.0(7) . . ?
C15 C16 C20 137.1(7) . . ?
C17 C16 C20 105.9(7) . . ?
C15 C16 Pd4 116.1(5) . . ?
C17 C16 Pd4 69.0(4) . . ?
C20 C16 Pd4 77.9(4) . . ?
C12 C17 C16 125.0(7) . . ?
C12 C17 C18 125.4(6) . . ?
C16 C17 C18 109.5(7) . . ?
C12 C17 Pd4 114.3(5) . . ?
C16 C17 Pd4 74.6(4) . . ?
C18 C17 Pd4 73.9(4) . . ?
C9 C18 C17 117.4(7) . . ?
C9 C18 C19 136.4(7) . . ?
C17 C18 C19 106.2(6) . . ?
C9 C18 Pd4 114.1(4) . . ?
C17 C18 Pd4 69.5(4) . . ?
C19 C18 Pd4 78.6(4) . . ?
C20 C19 C18 109.0(7) . . ?
C20 C19 Pd4 73.8(5) . . ?
C18 C19 Pd4 66.2(4) . . ?
C20 C19 H19 125.5 . . ?
C18 C19 H19 125.5 . . ?
Pd4 C19 H19 126.0 . . ?
C19 C20 C16 109.3(7) . . ?
C19 C20 Pd4 73.8(4) . . ?
C16 C20 Pd4 66.9(4) . . ?
C19 C20 H20 125.4 . . ?
C16 C20 H20 125.4 . . ?
Pd4 C20 H20 125.5 . . ?
C22 C21 C26 119.2(7) . . ?
C22 C21 P1 118.4(6) . . ?
C26 C21 P1 122.3(6) . . ?
C21 C22 C23 121.3(8) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C24 118.9(10) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C25 C24 C23 120.9(8) . . ?
C25 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C24 C25 C26 120.3(9) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C21 C26 C25 119.4(9) . . ?
C21 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C28 C27 C32 119.0(7) . . ?
C28 C27 P1 121.8(5) . . ?
C32 C27 P1 119.2(6) . . ?
C29 C28 C27 120.0(7) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 C28 121.1(7) . . ?
C30 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C29 C30 C31 119.7(7) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C32 C31 C30 120.1(7) . . ?
C32 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C31 C32 C27 119.9(7) . . ?
C31 C32 H32 120.0 . . ?
C27 C32 H32 120.0 . . ?
C38 C33 C34 119.5(7) . . ?
C38 C33 P1 119.7(6) . . ?
C34 C33 P1 120.3(5) . . ?
C35 C34 C33 120.9(7) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C36 C35 C34 119.7(8) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C35 C36 C37 119.9(8) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C38 C37 C36 120.2(9) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C37 C38 C33 119.6(8) . . ?
C37 C38 H38 120.2 . . ?
C33 C38 H38 120.2 . . ?
C40 C39 C44 117.9(7) . . ?
C40 C39 P2 120.8(6) . . ?
C44 C39 P2 121.2(6) . . ?
C41 C40 C39 121.7(7) . . ?
C41 C40 H40 119.1 . . ?
C39 C40 H40 119.1 . . ?
C40 C41 C42 119.0(8) . . ?
C40 C41 H41 120.5 . . ?
C42 C41 H41 120.5 . . ?
C43 C42 C41 120.7(8) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C44 C43 C42 119.6(7) . . ?
C44 C43 H43 120.2 . . ?
C42 C43 H43 120.2 . . ?
C43 C44 C39 121.0(7) . . ?
C43 C44 H44 119.5 . . ?
C39 C44 H44 119.5 . . ?
C46 C45 C50 118.8(7) . . ?
C46 C45 P2 122.9(6) . . ?
C50 C45 P2 118.1(5) . . ?
C45 C46 C47 120.2(7) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C48 C47 C46 120.1(7) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
C47 C48 C49 120.0(8) . . ?
C47 C48 H48 120.0 . . ?
C49 C48 H48 120.0 . . ?
C50 C49 C48 120.1(8) . . ?
C50 C49 H49 119.9 . . ?
C48 C49 H49 119.9 . . ?
C49 C50 C45 120.7(8) . . ?
C49 C50 H50 119.6 . . ?
C45 C50 H50 119.6 . . ?
C56 C51 C52 118.9(7) . . ?
C56 C51 P2 122.5(6) . . ?
C52 C51 P2 118.5(5) . . ?
C53 C52 C51 120.0(7) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 C54 120.2(8) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 H53 119.9 . . ?
C55 C54 C53 119.5(8) . . ?
C55 C54 H54 120.3 . . ?
C53 C54 H54 120.3 . . ?
C54 C55 C56 121.6(8) . . ?
C54 C55 H55 119.2 . . ?
C56 C55 H55 119.2 . . ?
C55 C56 C51 119.9(8) . . ?
C55 C56 H56 120.1 . . ?
C51 C56 H56 120.1 . . ?
C62 C57 C58 119.5(11) . . ?
C62 C57 H57 120.3 . . ?
C58 C57 H57 120.3 . . ?
C57 C58 C59 121.7(12) . . ?
C57 C58 H58 119.1 . . ?
C59 C58 H58 119.1 . . ?
C58 C59 C60 117.4(11) . . ?
C58 C59 H59 121.3 . . ?
C60 C59 H59 121.3 . . ?
C61 C60 C59 120.5(11) . . ?
C61 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
C60 C61 C62 118.6(11) . . ?
C60 C61 H61 120.7 . . ?
C62 C61 H61 120.7 . . ?
C57 C62 C61 122.2(11) . . ?
C57 C62 H62 118.9 . . ?
C61 C62 H62 118.9 . . ?
C64 C63 C68 120.4(15) . . ?
C64 C63 H63 119.8 . . ?
C68 C63 H63 119.8 . . ?
C65 C64 C63 120.4(15) . . ?
C65 C64 H64 119.8 . . ?
C63 C64 H64 119.8 . . ?
C64 C65 C66 119.4(15) . . ?
C64 C65 H65 120.3 . . ?
C66 C65 H65 120.3 . . ?
C67 C66 C65 119.7(14) . . ?
C67 C66 H66 120.2 . . ?
C65 C66 H66 120.2 . . ?
C68 C67 C66 121.8(14) . . ?
C68 C67 H67 119.1 . . ?
C66 C67 H67 119.1 . . ?
C67 C68 C63 118.3(15) . . ?
C67 C68 H68 120.9 . . ?
C63 C68 H68 120.9 . . ?
C70 C69 C71 119.3(13) . 2_655 ?
C70 C69 H69 120.3 . . ?
C71 C69 H69 120.3 2_655 . ?
C69 C70 C71 121.7(13) . . ?
C69 C70 H70 119.1 . . ?
C71 C70 H70 119.1 . . ?
C69 C71 C70 119.0(12) 2_655 . ?
C69 C71 H71 120.5 2_655 . ?
C70 C71 H71 120.5 . . ?
Cl2 C72 Cl1 103.7(15) . . ?
Cl2 C72 H72A 111.0 . . ?
Cl1 C72 H72A 111.0 . . ?
Cl2 C72 H72B 111.0 . . ?
Cl1 C72 H72B 111.0 . . ?
H72A C72 H72B 109.0 . . ?
Cl1 C73 Cl2 106.4(16) . . ?
Cl1 C73 H73A 110.5 . . ?
Cl2 C73 H73A 110.5 . . ?
Cl1 C73 H73B 110.5 . . ?
Cl2 C73 H73B 110.5 . . ?
H73A C73 H73B 108.6 . . ?
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
Pd1 C2 2.205(7) . ?
Pd1 C10 2.260(7) . ?
Pd1 C1 2.282(6) . ?
Pd1 C9 2.282(7) . ?
Pd1 P1 2.3379(17) . ?
Pd1 Pd2 2.7628(7) . ?
Pd1 Pd4 2.7853(7) . ?
Pd2 C12 2.118(7) . ?
Pd2 C4 2.147(7) . ?
Pd2 C3 2.189(7) . ?
Pd2 C13 2.327(7) . ?
Pd2 C11 2.356(7) . ?
Pd2 Pd3 2.7766(7) . ?
Pd2 Pd4 2.9131(7) . ?
Pd3 C6 2.227(7) . ?
Pd3 C5 2.242(7) . ?
Pd3 C15 2.290(8) . ?
Pd3 C14 2.320(7) . ?
Pd3 P2 2.3578(18) . ?
Pd3 Pd4 2.7921(7) . ?
Pd4 C8 2.152(6) . ?
Pd4 C7 2.186(6) . ?
Pd4 C17 2.250(7) . ?
Pd4 C18 2.308(7) . ?
Pd4 C16 2.324(7) . ?
Pd4 C20 2.472(8) . ?
Pd4 C19 2.472(8) . ?
Cl1 C73 1.745(18) . ?
Cl1 C72 1.813(19) . ?
Cl2 C72 1.779(18) . ?
Cl2 C73 1.783(18) . ?
P1 C27 1.815(7) . ?
P1 C21 1.829(7) . ?
P1 C33 1.829(7) . ?
P2 C39 1.805(7) . ?
P2 C51 1.834(7) . ?
P2 C45 1.836(7) . ?
P3 F6 1.488(8) . ?
P3 F2 1.500(11) . ?
P3 F4 1.505(10) . ?
P3 F5 1.532(10) . ?
P3 F1 1.554(7) . ?
P3 F3 1.583(8) . ?
P4 F12 1.517(10) . ?
P4 F9 1.528(10) . ?
P4 F11 1.530(9) . ?
P4 F8 1.555(8) . ?
P4 F10 1.581(8) . ?
P4 F7 1.599(8) . ?
C1 C2 1.405(11) . ?
C1 C8 1.433(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.457(11) . ?
C2 H2 0.9500 . ?
C3 C4 1.413(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.454(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.417(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.427(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.421(10) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C10 1.425(11) . ?
C9 C18 1.428(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.434(11) . ?
C10 H10 0.9500 . ?
C11 C12 1.425(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.416(11) . ?
C12 C17 1.426(11) . ?
C13 C14 1.425(11) . ?
C13 H13 0.9500 . ?
C14 C15 1.413(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.426(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.429(10) . ?
C16 C20 1.457(12) . ?
C17 C18 1.431(10) . ?
C18 C19 1.452(11) . ?
C19 C20 1.381(12) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.385(12) . ?
C21 C26 1.401(11) . ?
C22 C23 1.385(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.399(15) . ?
C23 H23 0.9500 . ?
C24 C25 1.357(15) . ?
C24 H24 0.9500 . ?
C25 C26 1.407(12) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.397(10) . ?
C27 C32 1.405(10) . ?
C28 C29 1.376(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.375(12) . ?
C29 H29 0.9500 . ?
C30 C31 1.389(12) . ?
C30 H30 0.9500 . ?
C31 C32 1.387(10) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C38 1.388(9) . ?
C33 C34 1.393(9) . ?
C34 C35 1.383(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.375(12) . ?
C35 H35 0.9500 . ?
C36 C37 1.404(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.388(11) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.388(10) . ?
C39 C44 1.406(10) . ?
C40 C41 1.374(12) . ?
C40 H40 0.9500 . ?
C41 C42 1.396(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.377(11) . ?
C42 H42 0.9500 . ?
C43 C44 1.377(10) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.376(10) . ?
C45 C50 1.404(11) . ?
C46 C47 1.393(10) . ?
C46 H46 0.9500 . ?
C47 C48 1.362(12) . ?
C47 H47 0.9500 . ?
C48 C49 1.393(12) . ?
C48 H48 0.9500 . ?
C49 C50 1.351(11) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C56 1.394(11) . ?
C51 C52 1.404(10) . ?
C52 C53 1.387(11) . ?
C52 H52 0.9500 . ?
C53 C54 1.397(13) . ?
C53 H53 0.9500 . ?
C54 C55 1.357(13) . ?
C54 H54 0.9500 . ?
C55 C56 1.385(12) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.340(16) . ?
C57 C58 1.368(16) . ?
C57 H57 0.9500 . ?
C58 C59 1.390(17) . ?
C58 H58 0.9500 . ?
C59 C60 1.416(19) . ?
C59 H59 0.9500 . ?
C60 C61 1.373(17) . ?
C60 H60 0.9500 . ?
C61 C62 1.392(16) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C64 1.367(16) . ?
C63 C68 1.381(15) . ?
C63 H63 0.9500 . ?
C64 C65 1.361(16) . ?
C64 H64 0.9500 . ?
C65 C66 1.372(15) . ?
C65 H65 0.9500 . ?
C66 C67 1.361(14) . ?
C66 H66 0.9500 . ?
C67 C68 1.352(14) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.329(19) . ?
C69 C71 1.406(19) 2_655 ?
C69 H69 0.9500 . ?
C70 C71 1.413(18) . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 C1 C2 C3 3.5(13) . . . . ?
Pd1 C1 C2 C3 -92.2(8) . . . . ?
C8 C1 C2 Pd1 95.7(7) . . . . ?
C1 C2 C3 C4 -20.6(13) . . . . ?
Pd1 C2 C3 C4 -101.1(8) . . . . ?
C1 C2 C3 Pd2 59.1(9) . . . . ?
Pd1 C2 C3 Pd2 -21.4(5) . . . . ?
C2 C3 C4 C5 -0.4(14) . . . . ?
Pd2 C3 C4 C5 -97.8(8) . . . . ?
C2 C3 C4 Pd2 97.4(8) . . . . ?
C3 C4 C5 C6 19.2(13) . . . . ?
Pd2 C4 C5 C6 -63.3(9) . . . . ?
C3 C4 C5 Pd3 97.9(8) . . . . ?
Pd2 C4 C5 Pd3 15.4(5) . . . . ?
C4 C5 C6 C7 0.0(13) . . . . ?
Pd3 C5 C6 C7 -94.2(8) . . . . ?
C4 C5 C6 Pd3 94.1(8) . . . . ?
C5 C6 C7 C8 -19.1(13) . . . . ?
Pd3 C6 C7 C8 -98.7(8) . . . . ?
C5 C6 C7 Pd4 60.2(9) . . . . ?
Pd3 C6 C7 Pd4 -19.3(5) . . . . ?
C6 C7 C8 C1 1.0(13) . . . . ?
Pd4 C7 C8 C1 -94.8(8) . . . . ?
C6 C7 C8 Pd4 95.8(8) . . . . ?
C2 C1 C8 C7 16.2(13) . . . . ?
Pd1 C1 C8 C7 94.1(8) . . . . ?
C2 C1 C8 Pd4 -64.1(9) . . . . ?
Pd1 C1 C8 Pd4 13.8(5) . . . . ?
C18 C9 C10 C11 -1.8(10) . . . . ?
Pd1 C9 C10 C11 89.5(6) . . . . ?
C18 C9 C10 Pd1 -91.3(6) . . . . ?
C9 C10 C11 C12 1.5(10) . . . . ?
Pd1 C10 C11 C12 76.4(6) . . . . ?
C9 C10 C11 Pd2 -69.7(7) . . . . ?
Pd1 C10 C11 Pd2 5.3(5) . . . . ?
C10 C11 C12 C13 -173.3(6) . . . . ?
Pd2 C11 C12 C13 -69.7(7) . . . . ?
C10 C11 C12 C17 -1.0(9) . . . . ?
Pd2 C11 C12 C17 102.7(6) . . . . ?
C10 C11 C12 Pd2 -103.6(6) . . . . ?
C17 C12 C13 C14 1.9(9) . . . . ?
C11 C12 C13 C14 174.1(6) . . . . ?
Pd2 C12 C13 C14 103.9(6) . . . . ?
C17 C12 C13 Pd2 -102.1(6) . . . . ?
C11 C12 C13 Pd2 70.2(7) . . . . ?
C12 C13 C14 C15 -2.2(10) . . . . ?
Pd2 C13 C14 C15 69.6(8) . . . . ?
C12 C13 C14 Pd3 -75.9(7) . . . . ?
Pd2 C13 C14 Pd3 -4.1(6) . . . . ?
C13 C14 C15 C16 1.2(11) . . . . ?
Pd3 C14 C15 C16 90.7(6) . . . . ?
C13 C14 C15 Pd3 -89.4(7) . . . . ?
C14 C15 C16 C17 0.0(10) . . . . ?
Pd3 C15 C16 C17 75.6(6) . . . . ?
C14 C15 C16 C20 -179.3(8) . . . . ?
Pd3 C15 C16 C20 -103.7(9) . . . . ?
C14 C15 C16 Pd4 -78.5(8) . . . . ?
Pd3 C15 C16 Pd4 -3.0(6) . . . . ?
C13 C12 C17 C16 -0.7(10) . . . . ?
C11 C12 C17 C16 -173.8(6) . . . . ?
Pd2 C12 C17 C16 -86.7(7) . . . . ?
C13 C12 C17 C18 174.1(6) . . . . ?
C11 C12 C17 C18 1.0(10) . . . . ?
Pd2 C12 C17 C18 88.1(7) . . . . ?
C13 C12 C17 Pd4 87.1(7) . . . . ?
C11 C12 C17 Pd4 -86.0(7) . . . . ?
Pd2 C12 C17 Pd4 1.1(6) . . . . ?
C15 C16 C17 C12 -0.3(10) . . . . ?
C20 C16 C17 C12 179.2(6) . . . . ?
Pd4 C16 C17 C12 109.2(7) . . . . ?
C15 C16 C17 C18 -175.8(6) . . . . ?
C20 C16 C17 C18 3.7(8) . . . . ?
Pd4 C16 C17 C18 -66.3(5) . . . . ?
C15 C16 C17 Pd4 -109.5(6) . . . . ?
C20 C16 C17 Pd4 70.0(5) . . . . ?
C10 C9 C18 C17 1.7(9) . . . . ?
Pd1 C9 C18 C17 -72.0(6) . . . . ?
C10 C9 C18 C19 179.2(7) . . . . ?
Pd1 C9 C18 C19 105.5(8) . . . . ?
C10 C9 C18 Pd4 80.1(7) . . . . ?
Pd1 C9 C18 Pd4 6.5(6) . . . . ?
C12 C17 C18 C9 -1.4(10) . . . . ?
C16 C17 C18 C9 174.1(6) . . . . ?
Pd4 C17 C18 C9 107.3(6) . . . . ?
C12 C17 C18 C19 -179.6(6) . . . . ?
C16 C17 C18 C19 -4.1(7) . . . . ?
Pd4 C17 C18 C19 -70.9(5) . . . . ?
C12 C17 C18 Pd4 -108.7(7) . . . . ?
C16 C17 C18 Pd4 66.8(5) . . . . ?
C9 C18 C19 C20 -174.8(8) . . . . ?
C17 C18 C19 C20 2.9(8) . . . . ?
Pd4 C18 C19 C20 -61.6(6) . . . . ?
C9 C18 C19 Pd4 -113.2(8) . . . . ?
C17 C18 C19 Pd4 64.5(4) . . . . ?
C18 C19 C20 C16 -0.6(9) . . . . ?
Pd4 C19 C20 C16 -57.6(5) . . . . ?
C18 C19 C20 Pd4 57.0(5) . . . . ?
C15 C16 C20 C19 177.5(8) . . . . ?
C17 C16 C20 C19 -1.9(8) . . . . ?
Pd4 C16 C20 C19 61.9(6) . . . . ?
C15 C16 C20 Pd4 115.6(9) . . . . ?
C17 C16 C20 Pd4 -63.8(4) . . . . ?
C27 P1 C21 C22 34.6(7) . . . . ?
C33 P1 C21 C22 144.9(6) . . . . ?
Pd1 P1 C21 C22 -91.8(6) . . . . ?
C27 P1 C21 C26 -149.7(6) . . . . ?
C33 P1 C21 C26 -39.5(7) . . . . ?
Pd1 P1 C21 C26 83.8(7) . . . . ?
C26 C21 C22 C23 -0.3(12) . . . . ?
P1 C21 C22 C23 175.5(7) . . . . ?
C21 C22 C23 C24 2.0(14) . . . . ?
C22 C23 C24 C25 -3.3(14) . . . . ?
C23 C24 C25 C26 2.8(14) . . . . ?
C22 C21 C26 C25 -0.2(12) . . . . ?
P1 C21 C26 C25 -175.8(6) . . . . ?
C24 C25 C26 C21 -1.0(13) . . . . ?
C21 P1 C27 C28 -123.9(6) . . . . ?
C33 P1 C27 C28 121.0(6) . . . . ?
Pd1 P1 C27 C28 1.1(7) . . . . ?
C21 P1 C27 C32 57.2(7) . . . . ?
C33 P1 C27 C32 -58.0(7) . . . . ?
Pd1 P1 C27 C32 -177.9(5) . . . . ?
C32 C27 C28 C29 3.2(11) . . . . ?
P1 C27 C28 C29 -175.8(6) . . . . ?
C27 C28 C29 C30 -0.6(12) . . . . ?
C28 C29 C30 C31 -1.9(13) . . . . ?
C29 C30 C31 C32 1.8(13) . . . . ?
C30 C31 C32 C27 0.8(12) . . . . ?
C28 C27 C32 C31 -3.3(11) . . . . ?
P1 C27 C32 C31 175.7(6) . . . . ?
C27 P1 C33 C38 170.8(6) . . . . ?
C21 P1 C33 C38 62.1(7) . . . . ?
Pd1 P1 C33 C38 -64.3(7) . . . . ?
C27 P1 C33 C34 -17.8(7) . . . . ?
C21 P1 C33 C34 -126.5(6) . . . . ?
Pd1 P1 C33 C34 107.1(6) . . . . ?
C38 C33 C34 C35 -2.4(12) . . . . ?
P1 C33 C34 C35 -173.9(7) . . . . ?
C33 C34 C35 C36 -1.4(14) . . . . ?
C34 C35 C36 C37 3.1(16) . . . . ?
C35 C36 C37 C38 -1.1(16) . . . . ?
C36 C37 C38 C33 -2.7(14) . . . . ?
C34 C33 C38 C37 4.4(12) . . . . ?
P1 C33 C38 C37 175.9(7) . . . . ?
C51 P2 C39 C40 132.5(6) . . . . ?
C45 P2 C39 C40 -115.6(6) . . . . ?
Pd3 P2 C39 C40 5.8(7) . . . . ?
C51 P2 C39 C44 -50.9(7) . . . . ?
C45 P2 C39 C44 61.0(7) . . . . ?
Pd3 P2 C39 C44 -177.7(5) . . . . ?
C44 C39 C40 C41 -2.6(11) . . . . ?
P2 C39 C40 C41 174.0(6) . . . . ?
C39 C40 C41 C42 0.4(13) . . . . ?
C40 C41 C42 C43 2.7(14) . . . . ?
C41 C42 C43 C44 -3.4(13) . . . . ?
C42 C43 C44 C39 1.1(13) . . . . ?
C40 C39 C44 C43 1.9(11) . . . . ?
P2 C39 C44 C43 -174.8(6) . . . . ?
C39 P2 C45 C46 -2.3(7) . . . . ?
C51 P2 C45 C46 108.6(6) . . . . ?
Pd3 P2 C45 C46 -128.5(5) . . . . ?
C39 P2 C45 C50 172.6(6) . . . . ?
C51 P2 C45 C50 -76.4(6) . . . . ?
Pd3 P2 C45 C50 46.5(6) . . . . ?
C50 C45 C46 C47 -2.2(10) . . . . ?
P2 C45 C46 C47 172.7(5) . . . . ?
C45 C46 C47 C48 1.6(11) . . . . ?
C46 C47 C48 C49 0.7(12) . . . . ?
C47 C48 C49 C50 -2.5(13) . . . . ?
C48 C49 C50 C45 2.0(13) . . . . ?
C46 C45 C50 C49 0.4(12) . . . . ?
P2 C45 C50 C49 -174.8(7) . . . . ?
C39 P2 C51 C56 138.9(6) . . . . ?
C45 P2 C51 C56 26.9(7) . . . . ?
Pd3 P2 C51 C56 -92.8(6) . . . . ?
C39 P2 C51 C52 -46.5(6) . . . . ?
C45 P2 C51 C52 -158.5(6) . . . . ?
Pd3 P2 C51 C52 81.9(6) . . . . ?
C56 C51 C52 C53 0.2(11) . . . . ?
P2 C51 C52 C53 -174.6(6) . . . . ?
C51 C52 C53 C54 -0.3(12) . . . . ?
C52 C53 C54 C55 0.1(13) . . . . ?
C53 C54 C55 C56 0.2(13) . . . . ?
C54 C55 C56 C51 -0.2(13) . . . . ?
C52 C51 C56 C55 0.0(11) . . . . ?
P2 C51 C56 C55 174.6(6) . . . . ?
C62 C57 C58 C59 -1.2(18) . . . . ?
C57 C58 C59 C60 2.7(18) . . . . ?
C58 C59 C60 C61 -1.5(17) . . . . ?
C59 C60 C61 C62 -1.2(16) . . . . ?
C58 C57 C62 C61 -1.7(18) . . . . ?
C60 C61 C62 C57 2.9(17) . . . . ?
C68 C63 C64 C65 2(2) . . . . ?
C63 C64 C65 C66 -2(2) . . . . ?
C64 C65 C66 C67 2(2) . . . . ?
C65 C66 C67 C68 -2(2) . . . . ?
C66 C67 C68 C63 2.1(19) . . . . ?
C64 C63 C68 C67 -2(2) . . . . ?
C71 C69 C70 C71 -1.0(18) 2_655 . . . ?
C69 C70 C71 C69 1.0(18) . . . 2_655 ?
C73 Cl2 C72 Cl1 0(2) . . . . ?
C73 Cl1 C72 Cl2 1(2) . . . . ?
C72 Cl1 C73 Cl2 -1(2) . . . . ?
C72 Cl2 C73 Cl1 1(2) . . . . ?
