#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:32:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179753 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/49/7004923.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_7004923
loop_
_publ_author_name
'Bedford, Robin B.'
'Betham, Michael'
'Butts, Craig P.'
'Coles, Simon J.'
'Cutajar, Marica'
'Gelbrich, Thomas'
'Hursthouse, Michael B.'
'Scully, P. Noelle'
'Wimperis, Stephen'
_publ_section_title
;
 Five-coordinate Pd(II) orthometallated triarylphosphite complexes.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              459
_journal_page_last               466
_journal_paper_doi               10.1039/b613524b
_journal_year                    2007
_chemical_formula_sum            'C60 H55 Cl2 F6 O3 P5 Pd'
_chemical_formula_weight         1270.19
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.391(15)
_cell_angle_beta                 93.38(2)
_cell_angle_gamma                94.90(2)
_cell_formula_units_Z            2
_cell_length_a                   10.294(2)
_cell_length_b                   15.290(3)
_cell_length_c                   18.798(5)
_cell_measurement_reflns_used    12663
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     2831.9(11)
_computing_cell_refinement       'DENZO & COLLECT'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO & COLLECT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            58599
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    0.628
_exptl_absorpt_correction_T_max  0.9753
_exptl_absorpt_correction_T_min  0.8846
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Slab
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.466
_refine_diff_density_min         -1.123
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     705
_refine_ls_number_reflns         12985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0495P)²+5.4247P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1113
_refine_ls_wR_factor_ref         0.1191
_reflns_number_gt                10693
_reflns_number_total             12985
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b613524b.txt
_cod_data_source_block           04src1090
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2832.0(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004923
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8304(3) 0.20482(19) 0.63383(15) 0.0235(6) Uani 1 1 d . . .
C2 C 0.7095(3) 0.1809(2) 0.65738(17) 0.0264(6) Uani 1 1 d . . .
H2 H 0.6991 0.1958 0.7090 0.032 Uiso 1 1 calc R . .
C3 C 0.6039(3) 0.1360(2) 0.60801(17) 0.0286(6) Uani 1 1 d . . .
H3 H 0.5243 0.1192 0.6264 0.034 Uiso 1 1 calc R . .
C4 C 0.6132(3) 0.1155(2) 0.53219(18) 0.0309(7) Uani 1 1 d . . .
H4 H 0.5399 0.0862 0.4987 0.037 Uiso 1 1 calc R . .
C5 C 0.7304(3) 0.1381(2) 0.50592(17) 0.0311(7) Uani 1 1 d . . .
H5 H 0.7392 0.1250 0.4542 0.037 Uiso 1 1 calc R . .
C6 C 0.8348(3) 0.1804(2) 0.55678(16) 0.0268(6) Uani 1 1 d . . .
C7 C 0.9941(3) 0.4071(2) 0.57041(17) 0.0265(6) Uani 1 1 d . . .
C8 C 0.9888(4) 0.4736(2) 0.63577(19) 0.0353(7) Uani 1 1 d . . .
H8 H 1.0480 0.4779 0.6776 0.042 Uiso 1 1 calc R . .
C9 C 0.8947(4) 0.5342(2) 0.6390(2) 0.0474(10) Uani 1 1 d . . .
H9 H 0.8886 0.5805 0.6834 0.057 Uiso 1 1 calc R . .
C10 C 0.8101(4) 0.5269(3) 0.5776(3) 0.0518(11) Uani 1 1 d . . .
H10 H 0.7470 0.5692 0.5797 0.062 Uiso 1 1 calc R . .
C11 C 0.8160(4) 0.4594(3) 0.5135(3) 0.0508(10) Uani 1 1 d . . .
H11 H 0.7563 0.4548 0.4719 0.061 Uiso 1 1 calc R . .
C12 C 0.9082(4) 0.3982(3) 0.5092(2) 0.0376(8) Uani 1 1 d . . .
H12 H 0.9124 0.3511 0.4651 0.045 Uiso 1 1 calc R . .
C13 C 1.2461(3) 0.1907(2) 0.49266(16) 0.0273(6) Uani 1 1 d . . .
C14 C 1.2396(4) 0.1019(2) 0.44997(19) 0.0357(8) Uani 1 1 d . . .
H14 H 1.1949 0.0535 0.4648 0.043 Uiso 1 1 calc R . .
C15 C 1.3011(4) 0.0852(3) 0.38393(19) 0.0434(9) Uani 1 1 d . . .
H15 H 1.2985 0.0244 0.3535 0.052 Uiso 1 1 calc R . .
C16 C 1.3648(4) 0.1549(3) 0.3626(2) 0.0430(9) Uani 1 1 d . . .
H16 H 1.4045 0.1426 0.3172 0.052 Uiso 1 1 calc R . .
C17 C 1.3715(4) 0.2433(3) 0.40714(19) 0.0392(8) Uani 1 1 d . . .
H17 H 1.4172 0.2914 0.3925 0.047 Uiso 1 1 calc R . .
C18 C 1.3120(3) 0.2621(2) 0.47321(18) 0.0325(7) Uani 1 1 d . . .
H18 H 1.3166 0.3227 0.5042 0.039 Uiso 1 1 calc R . .
C19 C 0.7841(3) 0.3479(2) 0.82407(16) 0.0264(6) Uani 1 1 d . . .
C20 C 0.7790(4) 0.4127(2) 0.78418(19) 0.0361(8) Uani 1 1 d . . .
H20 H 0.8379 0.4135 0.7472 0.043 Uiso 1 1 calc R . .
C21 C 0.6888(4) 0.4760(2) 0.7982(2) 0.0431(9) Uani 1 1 d . . .
H21 H 0.6861 0.5201 0.7710 0.052 Uiso 1 1 calc R . .
C22 C 0.6029(4) 0.4751(2) 0.8513(2) 0.0400(9) Uani 1 1 d . . .
H22 H 0.5414 0.5189 0.8610 0.048 Uiso 1 1 calc R . .
C23 C 0.6059(3) 0.4109(2) 0.89060(19) 0.0353(8) Uani 1 1 d . . .
H23 H 0.5460 0.4102 0.9271 0.042 Uiso 1 1 calc R . .
C24 C 0.6962(3) 0.3470(2) 0.87707(18) 0.0302(7) Uani 1 1 d . . .
H24 H 0.6976 0.3027 0.9042 0.036 Uiso 1 1 calc R . .
C25 C 0.8770(3) 0.1755(2) 0.83914(16) 0.0249(6) Uani 1 1 d . . .
C26 C 0.8489(3) 0.1761(2) 0.91133(17) 0.0304(7) Uani 1 1 d . . .
H26 H 0.8521 0.2325 0.9484 0.037 Uiso 1 1 calc R . .
C27 C 0.8164(3) 0.0950(2) 0.92903(19) 0.0367(8) Uani 1 1 d . . .
H27 H 0.7953 0.0960 0.9778 0.044 Uiso 1 1 calc R . .
C28 C 0.8146(4) 0.0123(2) 0.8758(2) 0.0385(8) Uani 1 1 d . . .
H28 H 0.7931 -0.0432 0.8882 0.046 Uiso 1 1 calc R . .
C29 C 0.8443(4) 0.0106(2) 0.8045(2) 0.0356(7) Uani 1 1 d . . .
H29 H 0.8437 -0.0461 0.7681 0.043 Uiso 1 1 calc R . .
C30 C 0.8750(3) 0.0917(2) 0.78609(17) 0.0282(6) Uani 1 1 d . . .
H30 H 0.8947 0.0902 0.7371 0.034 Uiso 1 1 calc R . .
C31 C 1.0284(3) 0.35499(19) 0.89277(15) 0.0241(6) Uani 1 1 d . . .
H31A H 1.0306 0.4176 0.8871 0.029 Uiso 1 1 calc R . .
H31B H 0.9836 0.3551 0.9380 0.029 Uiso 1 1 calc R . .
C32 C 1.1707(3) 0.33800(19) 0.90857(15) 0.0235(6) Uani 1 1 d . . .
C33 C 1.2570(3) 0.35783(19) 0.84950(15) 0.0245(6) Uani 1 1 d . . .
H33A H 1.3479 0.3496 0.8647 0.029 Uiso 1 1 calc R . .
H33B H 1.2556 0.4233 0.8521 0.029 Uiso 1 1 calc R . .
C34 C 1.3315(3) 0.3610(2) 0.70798(16) 0.0255(6) Uani 1 1 d . . .
C35 C 1.3116(3) 0.4524(2) 0.71597(17) 0.0293(7) Uani 1 1 d . . .
H35 H 1.2466 0.4790 0.7461 0.035 Uiso 1 1 calc R . .
C36 C 1.3863(4) 0.5040(2) 0.68013(19) 0.0364(8) Uani 1 1 d . . .
H36 H 1.3714 0.5656 0.6850 0.044 Uiso 1 1 calc R . .
C37 C 1.4828(4) 0.4665(3) 0.6372(2) 0.0406(8) Uani 1 1 d . . .
H37 H 1.5339 0.5024 0.6128 0.049 Uiso 1 1 calc R . .
C38 C 1.5046(4) 0.3769(3) 0.6300(2) 0.0398(8) Uani 1 1 d . . .
H38 H 1.5719 0.3514 0.6013 0.048 Uiso 1 1 calc R . .
C39 C 1.4285(3) 0.3239(2) 0.66463(18) 0.0317(7) Uani 1 1 d . . .
H39 H 1.4428 0.2619 0.6586 0.038 Uiso 1 1 calc R . .
C40 C 1.2922(3) 0.1862(2) 0.74170(16) 0.0258(6) Uani 1 1 d . . .
C41 C 1.4185(3) 0.1837(2) 0.77183(17) 0.0298(7) Uani 1 1 d . . .
H41 H 1.4712 0.2389 0.7960 0.036 Uiso 1 1 calc R . .
C42 C 1.4676(3) 0.1003(2) 0.76660(19) 0.0349(7) Uani 1 1 d . . .
H42 H 1.5537 0.0987 0.7872 0.042 Uiso 1 1 calc R . .
C43 C 1.3912(4) 0.0200(2) 0.73153(19) 0.0373(8) Uani 1 1 d . . .
H43 H 1.4249 -0.0368 0.7281 0.045 Uiso 1 1 calc R . .
C44 C 1.2663(4) 0.0216(2) 0.70142(19) 0.0355(8) Uani 1 1 d . . .
H44 H 1.2141 -0.0338 0.6773 0.043 Uiso 1 1 calc R . .
C45 C 1.2171(3) 0.1046(2) 0.70648(17) 0.0292(7) Uani 1 1 d . . .
H45 H 1.1310 0.1055 0.6856 0.035 Uiso 1 1 calc R . .
C46 C 1.2220(3) 0.4085(2) 0.98181(16) 0.0302(7) Uani 1 1 d . . .
H46A H 1.3148 0.4032 0.9928 0.045 Uiso 1 1 calc R . .
H46B H 1.1722 0.3973 1.0219 0.045 Uiso 1 1 calc R . .
H46C H 1.2117 0.4701 0.9774 0.045 Uiso 1 1 calc R . .
C47 C 1.1777(3) 0.24080(19) 0.91648(16) 0.0237(6) Uani 1 1 d . . .
H47A H 1.1539 0.1969 0.8673 0.028 Uiso 1 1 calc R . .
H47B H 1.1115 0.2290 0.9499 0.028 Uiso 1 1 calc R . .
C48 C 1.3232(3) 0.0935(2) 0.92541(16) 0.0270(6) Uani 1 1 d . . .
C49 C 1.2060(3) 0.0377(2) 0.90425(18) 0.0305(7) Uani 1 1 d . . .
H49 H 1.1257 0.0642 0.9047 0.037 Uiso 1 1 calc R . .
C50 C 1.2054(4) -0.0565(2) 0.88241(19) 0.0359(7) Uani 1 1 d . . .
H50 H 1.1248 -0.0941 0.8682 0.043 Uiso 1 1 calc R . .
C51 C 1.3217(4) -0.0956(2) 0.88127(19) 0.0358(8) Uani 1 1 d . . .
H51 H 1.3210 -0.1601 0.8658 0.043 Uiso 1 1 calc R . .
C52 C 1.4386(4) -0.0413(2) 0.90262(19) 0.0363(8) Uani 1 1 d . . .
H52 H 1.5184 -0.0683 0.9025 0.044 Uiso 1 1 calc R . .
C53 C 1.4400(3) 0.0527(2) 0.92432(18) 0.0329(7) Uani 1 1 d . . .
H53 H 1.5210 0.0899 0.9386 0.039 Uiso 1 1 calc R . .
C54 C 1.3268(4) 0.2399(2) 1.05332(18) 0.0357(8) Uani 1 1 d . . .
C55 C 1.2147(5) 0.2248(3) 1.0865(2) 0.0517(10) Uani 1 1 d . . .
H55 H 1.1343 0.2039 1.0569 0.062 Uiso 1 1 calc R . .
C56 C 1.2176(6) 0.2399(3) 1.1631(2) 0.0654(14) Uani 1 1 d . . .
H56 H 1.1391 0.2295 1.1851 0.078 Uiso 1 1 calc R . .
C57 C 1.3308(7) 0.2690(3) 1.2064(2) 0.0728(18) Uani 1 1 d . . .
H57 H 1.3318 0.2787 1.2585 0.087 Uiso 1 1 calc R . .
C58 C 1.4444(7) 0.2845(3) 1.1746(3) 0.0755(18) Uani 1 1 d . . .
H58 H 1.5241 0.3050 1.2050 0.091 Uiso 1 1 calc R . .
C59 C 1.4437(5) 0.2703(3) 1.0977(2) 0.0510(11) Uani 1 1 d . . .
H59 H 1.5224 0.2814 1.0760 0.061 Uiso 1 1 calc R . .
C60 C 0.1371(5) 0.7535(4) 0.7040(2) 0.0590(12) Uani 1 1 d . . .
H60A H 0.1535 0.7884 0.7568 0.071 Uiso 1 1 calc R . .
H60B H 0.1101 0.6891 0.7022 0.071 Uiso 1 1 calc R . .
O1 O 0.9525(2) 0.19928(16) 0.52574(11) 0.0315(5) Uani 1 1 d . . .
O2 O 1.0942(2) 0.34854(14) 0.56472(11) 0.0265(4) Uani 1 1 d . . .
O3 O 1.1925(2) 0.20645(14) 0.56173(11) 0.0285(5) Uani 1 1 d . . .
F1 F 0.2365(8) 0.7254(3) 0.9321(3) 0.191(3) Uani 1 1 d . . .
F2 F 0.2551(5) 0.5866(3) 0.8996(2) 0.1409(19) Uani 1 1 d . . .
F3 F 0.2384(3) 0.65504(18) 0.81110(14) 0.0736(9) Uani 1 1 d . . .
F4 F 0.0884(4) 0.5449(3) 0.82215(19) 0.1144(14) Uani 1 1 d . . .
F5 F 0.0878(6) 0.7284(4) 0.8702(4) 0.096(3) Uani 0.634(9) 1 d P . .
F5' F 0.0023(7) 0.6454(7) 0.8106(5) 0.071(4) Uani 0.366(9) 1 d P . .
F6 F 0.0510(5) 0.6278(2) 0.93320(18) 0.1323(19) Uani 1 1 d . . .
P1 P 1.06696(8) 0.25455(5) 0.58559(4) 0.02385(16) Uani 1 1 d . . .
P2 P 0.92248(8) 0.28038(5) 0.81410(4) 0.02161(15) Uani 1 1 d . . .
P3 P 1.22298(8) 0.29387(5) 0.75177(4) 0.02215(16) Uani 1 1 d . . .
P4 P 1.33907(8) 0.21852(5) 0.95275(4) 0.02863(18) Uani 1 1 d . . .
P5 P 0.1423(2) 0.64132(8) 0.87198(7) 0.0802(5) Uani 1 1 d . . .
Pd1 Pd 1.00666(2) 0.259916(14) 0.698281(11) 0.02113(7) Uani 1 1 d . . .
Cl1 Cl 0.28211(11) 0.75891(7) 0.66091(6) 0.0505(2) Uani 1 1 d . . .
Cl2 Cl 0.00886(11) 0.79689(8) 0.66276(6) 0.0554(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 114.3(3) . . ?
C2 C1 Pd1 128.5(2) . . ?
C6 C1 Pd1 117.0(2) . . ?
C3 C2 C1 122.3(3) . . ?
C4 C3 C2 120.9(3) . . ?
C5 C4 C3 119.2(3) . . ?
C4 C5 C6 118.4(3) . . ?
C5 C6 C1 125.0(3) . . ?
C5 C6 O1 115.1(3) . . ?
C1 C6 O1 119.9(3) . . ?
C8 C7 C12 122.1(3) . . ?
C8 C7 O2 119.1(3) . . ?
C12 C7 O2 118.7(3) . . ?
C7 C8 C9 118.3(3) . . ?
C10 C9 C8 119.9(4) . . ?
C11 C10 C9 120.8(4) . . ?
C10 C11 C12 120.4(4) . . ?
C7 C12 C11 118.5(4) . . ?
C14 C13 C18 122.5(3) . . ?
C14 C13 O3 117.5(3) . . ?
C18 C13 O3 119.8(3) . . ?
C13 C14 C15 117.7(3) . . ?
C16 C15 C14 120.9(3) . . ?
C15 C16 C17 120.1(3) . . ?
C16 C17 C18 120.4(4) . . ?
C13 C18 C17 118.3(3) . . ?
C24 C19 C20 119.0(3) . . ?
C24 C19 P2 122.6(2) . . ?
C20 C19 P2 117.6(3) . . ?
C21 C20 C19 120.4(3) . . ?
C22 C21 C20 120.2(3) . . ?
C21 C22 C23 120.1(3) . . ?
C22 C23 C24 120.3(3) . . ?
C19 C24 C23 120.1(3) . . ?
C30 C25 C26 118.8(3) . . ?
C30 C25 P2 119.5(2) . . ?
C26 C25 P2 121.7(2) . . ?
C27 C26 C25 120.4(3) . . ?
C28 C27 C26 120.2(3) . . ?
C27 C28 C29 120.0(3) . . ?
C28 C29 C30 120.1(3) . . ?
C29 C30 C25 120.5(3) . . ?
C32 C31 P2 121.8(2) . . ?
C31 C32 C33 111.2(2) . . ?
C31 C32 C46 106.3(2) . . ?
C33 C32 C46 106.2(2) . . ?
C31 C32 C47 110.7(2) . . ?
C33 C32 C47 112.2(2) . . ?
C46 C32 C47 110.0(2) . . ?
C32 C33 P3 120.9(2) . . ?
C39 C34 C35 119.0(3) . . ?
C39 C34 P3 122.7(2) . . ?
C35 C34 P3 118.2(2) . . ?
C36 C35 C34 120.0(3) . . ?
C35 C36 C37 120.5(3) . . ?
C38 C37 C36 119.8(3) . . ?
C37 C38 C39 120.2(3) . . ?
C38 C39 C34 120.4(3) . . ?
C45 C40 C41 118.9(3) . . ?
C45 C40 P3 120.0(2) . . ?
C41 C40 P3 121.0(2) . . ?
C42 C41 C40 120.2(3) . . ?
C43 C42 C41 119.9(3) . . ?
C44 C43 C42 120.4(3) . . ?
C43 C44 C45 119.8(3) . . ?
C44 C45 C40 120.7(3) . . ?
C32 C47 P4 115.0(2) . . ?
C49 C48 C53 118.7(3) . . ?
C49 C48 P4 125.1(2) . . ?
C53 C48 P4 116.2(2) . . ?
C50 C49 C48 120.4(3) . . ?
C51 C50 C49 120.3(3) . . ?
C52 C51 C50 120.0(3) . . ?
C51 C52 C53 120.1(3) . . ?
C52 C53 C48 120.6(3) . . ?
C55 C54 C59 118.7(4) . . ?
C55 C54 P4 125.5(3) . . ?
C59 C54 P4 115.7(3) . . ?
C54 C55 C56 120.7(4) . . ?
C57 C56 C55 120.8(5) . . ?
C56 C57 C58 119.7(4) . . ?
C57 C58 C59 120.5(5) . . ?
C54 C59 C58 119.5(5) . . ?
Cl1 C60 Cl2 112.9(2) . . ?
C6 O1 P1 113.61(18) . . ?
C7 O2 P1 118.88(19) . . ?
C13 O3 P1 128.01(19) . . ?
P5 F5 F5' 71.2(4) . . ?
F5 F5' P5 51.5(3) . . ?
O3 P1 O1 104.91(12) . . ?
O3 P1 O2 102.15(12) . . ?
O1 P1 O2 103.81(12) . . ?
O3 P1 Pd1 117.52(9) . . ?
O1 P1 Pd1 108.97(9) . . ?
O2 P1 Pd1 117.94(8) . . ?
C25 P2 C19 108.64(15) . . ?
C25 P2 C31 106.53(13) . . ?
C19 P2 C31 96.98(13) . . ?
C25 P2 Pd1 114.87(10) . . ?
C19 P2 Pd1 112.90(10) . . ?
C31 P2 Pd1 115.29(11) . . ?
C40 P3 C34 105.78(14) . . ?
C40 P3 C33 106.37(14) . . ?
C34 P3 C33 100.87(14) . . ?
C40 P3 Pd1 107.36(11) . . ?
C34 P3 Pd1 115.26(10) . . ?
C33 P3 Pd1 120.09(11) . . ?
C48 P4 C54 99.76(14) . . ?
C48 P4 C47 101.08(14) . . ?
C54 P4 C47 104.40(16) . . ?
F5 P5 F4 125.2(4) . . ?
F5 P5 F6 91.5(3) . . ?
F4 P5 F6 89.9(2) . . ?
F5 P5 F3 89.3(2) . . ?
F4 P5 F3 90.69(18) . . ?
F6 P5 F3 178.5(3) . . ?
F5 P5 F2 151.0(4) . . ?
F4 P5 F2 83.5(3) . . ?
F6 P5 F2 93.0(3) . . ?
F3 P5 F2 85.7(2) . . ?
F5 P5 F1 72.9(4) . . ?
F4 P5 F1 161.8(3) . . ?
F6 P5 F1 92.0(2) . . ?
F3 P5 F1 87.0(2) . . ?
F2 P5 F1 78.3(3) . . ?
F5 P5 F5' 57.2(4) . . ?
F4 P5 F5' 68.0(4) . . ?
F6 P5 F5' 91.1(3) . . ?
F3 P5 F5' 90.4(2) . . ?
F2 P5 F5' 151.2(4) . . ?
F1 P5 F5' 130.1(4) . . ?
C1 Pd1 P1 79.41(9) . . ?
C1 Pd1 P2 96.82(9) . . ?
P1 Pd1 P2 171.78(3) . . ?
C1 Pd1 P3 166.96(8) . . ?
P1 Pd1 P3 92.72(4) . . ?
P2 Pd1 P3 92.26(4) . . ?
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
C1 C2 1.397(4) . ?
C1 C6 1.401(4) . ?
C1 Pd1 2.100(3) . ?
C2 C3 1.389(4) . ?
C3 C4 1.387(4) . ?
C4 C5 1.382(5) . ?
C5 C6 1.385(4) . ?
C6 O1 1.415(4) . ?
C7 C8 1.379(5) . ?
C7 C12 1.378(5) . ?
C7 O2 1.412(4) . ?
C8 C9 1.390(5) . ?
C9 C10 1.378(6) . ?
C10 C11 1.370(6) . ?
C11 C12 1.380(5) . ?
C13 C14 1.376(4) . ?
C13 C18 1.379(5) . ?
C13 O3 1.410(4) . ?
C14 C15 1.400(5) . ?
C15 C16 1.366(6) . ?
C16 C17 1.381(5) . ?
C17 C18 1.390(5) . ?
C19 C24 1.387(5) . ?
C19 C20 1.395(4) . ?
C19 P2 1.819(3) . ?
C20 C21 1.384(5) . ?
C21 C22 1.375(6) . ?
C22 C23 1.378(5) . ?
C23 C24 1.391(4) . ?
C25 C30 1.397(4) . ?
C25 C26 1.402(4) . ?
C25 P2 1.819(3) . ?
C26 C27 1.387(5) . ?
C27 C28 1.387(5) . ?
C28 C29 1.386(5) . ?
C29 C30 1.390(4) . ?
C31 C32 1.535(4) . ?
C31 P2 1.838(3) . ?
C32 C33 1.537(4) . ?
C32 C46 1.538(4) . ?
C32 C47 1.540(4) . ?
C33 P3 1.835(3) . ?
C34 C39 1.389(5) . ?
C34 C35 1.400(4) . ?
C34 P3 1.828(3) . ?
C35 C36 1.380(5) . ?
C36 C37 1.382(5) . ?
C37 C38 1.380(5) . ?
C38 C39 1.387(5) . ?
C40 C45 1.390(4) . ?
C40 C41 1.396(5) . ?
C40 P3 1.817(3) . ?
C41 C42 1.393(4) . ?
C42 C43 1.380(5) . ?
C43 C44 1.379(5) . ?
C44 C45 1.388(4) . ?
C47 P4 1.851(3) . ?
C48 C49 1.389(5) . ?
C48 C53 1.400(5) . ?
C48 P4 1.833(3) . ?
C49 C50 1.388(4) . ?
C50 C51 1.383(5) . ?
C51 C52 1.377(5) . ?
C52 C53 1.384(5) . ?
C54 C55 1.375(6) . ?
C54 C59 1.393(5) . ?
C54 P4 1.845(3) . ?
C55 C56 1.395(5) . ?
C56 C57 1.350(8) . ?
C57 C58 1.375(8) . ?
C58 C59 1.405(6) . ?
C60 Cl1 1.746(5) . ?
C60 Cl2 1.757(5) . ?
O1 P1 1.593(2) . ?
O2 P1 1.594(2) . ?
O3 P1 1.571(2) . ?
F1 P5 1.660(6) . ?
F2 P5 1.626(5) . ?
F3 P5 1.600(3) . ?
F4 P5 1.558(4) . ?
F5 P5 1.495(5) . ?
F5 F5' 1.606(11) . ?
F5' P5 1.808(8) . ?
F6 P5 1.572(3) . ?
P1 Pd1 2.2250(10) . ?
P2 Pd1 2.3444(10) . ?
P3 Pd1 2.3455(10) . ?
