#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/28/4062872.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_4062872
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049726k
_journal_year                    2004
_chemical_formula_sum            'C38.67 H31 Cl1.33 D1.33 F3 P2 Pd'
_chemical_formula_weight         770.93
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.74(3)
_cell_angle_beta                 111.32(3)
_cell_angle_gamma                99.05(3)
_cell_formula_units_Z            6
_cell_length_a                   18.342(4)
_cell_length_b                   18.506(4)
_cell_length_c                   19.024(4)
_cell_measurement_temperature    173(2)
_cell_volume                     5203.7(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.476
_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_database_code               4062872
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
Pd1 Pd 0.866259(17) 0.882375(17) 0.129754(18) 0.02235(8) Uani 1 1 d . . .
P1 P 0.92504(6) 1.00170(6) 0.25824(6) 0.0229(2) Uani 1 1 d . . .
P2 P 0.99997(6) 0.87780(6) 0.17092(7) 0.0258(2) Uani 1 1 d . . .
F1 F 0.75038(16) 0.77256(16) -0.05622(15) 0.0469(7) Uani 1 1 d . . .
F2 F 0.76015(17) 0.70932(16) 0.01862(18) 0.0522(7) Uani 1 1 d . . .
F3 F 0.85604(16) 0.73590(17) -0.01530(17) 0.0556(8) Uani 1 1 d . . .
C1 C 0.8960(2) 1.0919(2) 0.2610(2) 0.0252(8) Uani 1 1 d . . .
C2 C 0.8237(3) 1.0984(3) 0.2668(3) 0.0338(10) Uani 1 1 d . . .
H2A H 0.7904(3) 1.0562(3) 0.2701(3) 0.041 Uiso 1 1 d R . .
C3 C 0.7997(3) 1.1661(3) 0.2678(3) 0.0406(11) Uani 1 1 d . . .
H3A H 0.7507(3) 1.1704(3) 0.2727(3) 0.049 Uiso 1 1 d R . .
C4 C 0.8466(3) 1.2268(3) 0.2614(3) 0.0477(13) Uani 1 1 d . . .
H4A H 0.8310(3) 1.2740(3) 0.2639(3) 0.057 Uiso 1 1 d R . .
C5 C 0.9164(3) 1.2190(3) 0.2513(3) 0.0438(12) Uani 1 1 d . . .
H5A H 0.9476(3) 1.2597(3) 0.2446(3) 0.053 Uiso 1 1 d R . .
C6 C 0.9410(3) 1.1518(3) 0.2514(3) 0.0337(10) Uani 1 1 d . . .
H6A H 0.9891(3) 1.1468(3) 0.2446(3) 0.040 Uiso 1 1 d R . .
C7 C 0.9078(2) 0.9849(2) 0.3396(2) 0.0270(9) Uani 1 1 d . . .
C8 C 0.9192(3) 1.0499(3) 0.4160(3) 0.0369(10) Uani 1 1 d . . .
H8A H 0.9349(3) 1.1055(3) 0.4252(3) 0.044 Uiso 1 1 d R . .
C9 C 0.9091(3) 1.0360(3) 0.4773(3) 0.0455(12) Uani 1 1 d . . .
H9A H 0.9179(3) 1.0817(3) 0.5289(3) 0.055 Uiso 1 1 d R . .
C10 C 0.8855(3) 0.9550(4) 0.4648(3) 0.0521(14) Uani 1 1 d . . .
H10A H 0.8783(3) 0.9451(4) 0.5077(3) 0.063 Uiso 1 1 d R . .
C11 C 0.8725(3) 0.8889(3) 0.3892(3) 0.0483(13) Uani 1 1 d . . .
H11A H 0.8557(3) 0.8335(3) 0.3800(3) 0.058 Uiso 1 1 d R . .
C12 C 0.8841(2) 0.9036(3) 0.3266(3) 0.0337(10) Uani 1 1 d . . .
H12A H 0.8759(2) 0.8582(3) 0.2752(3) 0.040 Uiso 1 1 d R . .
C13 C 1.0386(2) 1.0367(2) 0.3011(2) 0.0251(8) Uani 1 1 d . . .
C14 C 1.0926(2) 1.1146(2) 0.3723(3) 0.0304(9) Uani 1 1 d . . .
H14A H 1.0707(2) 1.1529(2) 0.4005(3) 0.036 Uiso 1 1 d R . .
C15 C 1.1785(3) 1.1357(3) 0.4015(3) 0.0347(10) Uani 1 1 d . . .
H15A H 1.2154(3) 1.1882(3) 0.4504(3) 0.042 Uiso 1 1 d R . .
C16 C 1.2100(3) 1.0808(3) 0.3599(3) 0.0372(10) Uani 1 1 d . . .
H16A H 1.2685(3) 1.0958(3) 0.3792(3) 0.045 Uiso 1 1 d R . .
C17 C 1.1572(2) 1.0042(3) 0.2904(3) 0.0341(10) Uani 1 1 d . . .
H17A H 1.1793(2) 0.9664(3) 0.2620(3) 0.041 Uiso 1 1 d R . .
C18 C 1.0719(2) 0.9812(2) 0.2612(2) 0.0257(8) Uani 1 1 d . . .
C19 C 1.0172(2) 0.8061(3) 0.2150(3) 0.0293(9) Uani 1 1 d . . .
C20 C 0.9616(3) 0.7255(3) 0.1673(3) 0.0543(14) Uani 1 1 d . . .
H20A H 0.9172(3) 0.7080(3) 0.1121(3) 0.065 Uiso 1 1 d R . .
C21 C 0.9696(4) 0.6704(3) 0.1982(4) 0.0723(19) Uani 1 1 d . . .
H21A H 0.9309(4) 0.6149(3) 0.1644(4) 0.087 Uiso 1 1 d R . .
C22 C 1.0324(3) 0.6945(3) 0.2772(4) 0.0540(14) Uani 1 1 d . . .
H22A H 1.0380(3) 0.6554(3) 0.2979(4) 0.065 Uiso 1 1 d R . .
C23 C 1.0877(3) 0.7744(3) 0.3269(3) 0.0501(13) Uani 1 1 d . . .
H23A H 1.1310(3) 0.7917(3) 0.3826(3) 0.060 Uiso 1 1 d R . .
C24 C 1.0800(3) 0.8302(3) 0.2952(3) 0.0403(11) Uani 1 1 d . . .
H24A H 1.1185(3) 0.8858(3) 0.3293(3) 0.048 Uiso 1 1 d R . .
C25 C 1.0443(3) 0.8577(3) 0.0964(3) 0.0344(10) Uani 1 1 d . . .
C26 C 1.0514(4) 0.9139(4) 0.0662(4) 0.0650(16) Uani 1 1 d . . .
H26A H 1.0331(4) 0.9598(4) 0.0845(4) 0.078 Uiso 1 1 d R . .
C27 C 1.0838(4) 0.9045(5) 0.0104(4) 0.091(2) Uani 1 1 d . . .
H27A H 1.0886(4) 0.9441(5) -0.0094(4) 0.110 Uiso 1 1 d R . .
C28 C 1.1099(4) 0.8385(5) -0.0169(4) 0.084(2) Uani 1 1 d . . .
H28A H 1.1322(4) 0.8316(5) -0.0560(4) 0.100 Uiso 1 1 d R . .
C29 C 1.1035(4) 0.7824(4) 0.0120(4) 0.0752(19) Uani 1 1 d . . .
H29A H 1.1217(4) 0.7365(4) -0.0068(4) 0.090 Uiso 1 1 d R . .
C30 C 1.0702(3) 0.7920(3) 0.0692(3) 0.0540(14) Uani 1 1 d . . .
H30A H 1.0658(3) 0.7525(3) 0.0891(3) 0.065 Uiso 1 1 d R . .
C31 C 0.7518(2) 0.8989(2) 0.1085(2) 0.0248(8) Uani 1 1 d . . .
C32 C 0.7086(2) 0.8778(2) 0.1484(3) 0.0293(9) Uani 1 1 d . . .
H32A H 0.7301(2) 0.8533(2) 0.1832(3) 0.035 Uiso 1 1 d R . .
C33 C 0.6335(3) 0.8924(3) 0.1379(3) 0.0350(10) Uani 1 1 d . . .
H33A H 0.6050(3) 0.8784(3) 0.1662(3) 0.042 Uiso 1 1 d R . .
C34 C 0.6016(3) 0.9267(3) 0.0868(3) 0.0389(11) Uani 1 1 d . . .
H34A H 0.5501(3) 0.9355(3) 0.0782(3) 0.047 Uiso 1 1 d R . .
C35 C 0.6453(3) 0.9484(3) 0.0478(3) 0.0372(10) Uani 1 1 d . . .
H35A H 0.6235(3) 0.9728(3) 0.0128(3) 0.045 Uiso 1 1 d R . .
C36 C 0.7210(2) 0.9354(2) 0.0588(3) 0.0294(9) Uani 1 1 d . . .
C37 C 0.7673(3) 0.9646(3) 0.0184(3) 0.0434(11) Uani 1 1 d . . .
H37A H 0.8188(3) 0.9515(3) 0.0318(3) 0.065 Uiso 1 1 d R . .
H37B H 0.7812(3) 1.0251(3) 0.0414(3) 0.065 Uiso 1 1 d R . .
H37C H 0.7323(3) 0.9364(3) -0.0442(3) 0.065 Uiso 1 1 d R . .
C38 C 0.8047(2) 0.7666(2) 0.0090(2) 0.0218(8) Uani 1 1 d . . .
Pd2 Pd 0.784550(18) 0.471975(18) 0.236021(19) 0.02369(8) Uani 1 1 d . . .
P1A P 0.68417(6) 0.51432(6) 0.26731(6) 0.0234(2) Uani 1 1 d . . .
P2A P 0.67404(6) 0.38000(6) 0.10072(6) 0.0244(2) Uani 1 1 d . . .
F1A F 0.85882(17) 0.37236(18) 0.13837(19) 0.0694(10) Uani 1 1 d . . .
F2A F 0.92988(18) 0.41808(19) 0.2730(2) 0.0596(8) Uani 1 1 d . . .
F3A F 0.93721(16) 0.50012(16) 0.22030(19) 0.0500(7) Uani 1 1 d . . .
C1A C 0.6699(2) 0.6049(2) 0.2559(3) 0.0285(9) Uani 1 1 d . . .
C2A C 0.6937(3) 0.6231(3) 0.2008(3) 0.0373(10) Uani 1 1 d . . .
H2AA H 0.7219(3) 0.5921(3) 0.1749(3) 0.045 Uiso 1 1 d R . .
C3A C 0.6755(3) 0.6860(3) 0.1839(3) 0.0505(13) Uani 1 1 d . . .
H3AA H 0.6912(3) 0.6978(3) 0.1461(3) 0.061 Uiso 1 1 d R . .
C4A C 0.6353(3) 0.7315(3) 0.2210(4) 0.0554(14) Uani 1 1 d . . .
H4AA H 0.6222(3) 0.7740(3) 0.2080(4) 0.067 Uiso 1 1 d R . .
C5A C 0.6136(3) 0.7158(3) 0.2782(4) 0.0534(14) Uani 1 1 d . . .
H5AA H 0.5880(3) 0.7492(3) 0.3061(4) 0.064 Uiso 1 1 d R . .
C6A C 0.6301(3) 0.6521(3) 0.2946(3) 0.0386(11) Uani 1 1 d . . .
H6AA H 0.6138(3) 0.6402(3) 0.3321(3) 0.046 Uiso 1 1 d R . .
C7A C 0.6916(2) 0.5339(2) 0.3714(2) 0.0274(9) Uani 1 1 d . . .
C8A C 0.6533(3) 0.4708(3) 0.3821(3) 0.0358(10) Uani 1 1 d . . .
H8AA H 0.6175(3) 0.4179(3) 0.3333(3) 0.043 Uiso 1 1 d R . .
C9A C 0.6669(3) 0.4842(3) 0.4634(3) 0.0454(12) Uani 1 1 d . . .
H9AA H 0.6406(3) 0.4407(3) 0.4702(3) 0.054 Uiso 1 1 d R . .
C10A C 0.7183(3) 0.5604(3) 0.5339(3) 0.0464(12) Uani 1 1 d . . .
H10B H 0.7265(3) 0.5697(3) 0.5894(3) 0.056 Uiso 1 1 d R . .
C11A C 0.7581(3) 0.6236(3) 0.5254(3) 0.0434(12) Uani 1 1 d . . .
H11B H 0.7941(3) 0.6761(3) 0.5747(3) 0.052 Uiso 1 1 d R . .
C12A C 0.7453(3) 0.6103(3) 0.4444(3) 0.0367(10) Uani 1 1 d . . .
H12B H 0.7736(3) 0.6536(3) 0.4385(3) 0.044 Uiso 1 1 d R . .
C13A C 0.5826(2) 0.4317(2) 0.1873(2) 0.0233(8) Uani 1 1 d . . .
C14A C 0.5114(2) 0.4270(3) 0.1971(3) 0.0308(9) Uani 1 1 d . . .
H14B H 0.5127(2) 0.4697(3) 0.2462(3) 0.037 Uiso 1 1 d R . .
C15A C 0.4378(2) 0.3602(3) 0.1353(3) 0.0356(10) Uani 1 1 d . . .
H15B H 0.3893(2) 0.3573(3) 0.1430(3) 0.043 Uiso 1 1 d R . .
C16A C 0.4339(2) 0.2981(3) 0.0631(3) 0.0356(10) Uani 1 1 d . . .
H16B H 0.3835(2) 0.2522(3) 0.0218(3) 0.043 Uiso 1 1 d R . .
C17A C 0.5047(2) 0.3036(2) 0.0515(3) 0.0301(9) Uani 1 1 d . . .
H17B H 0.5023(2) 0.2617(2) 0.0012(3) 0.036 Uiso 1 1 d R . .
C18A C 0.5792(2) 0.3696(2) 0.1128(2) 0.0248(8) Uani 1 1 d . . .
C19A C 0.6630(2) 0.2721(2) 0.0364(3) 0.0265(9) Uani 1 1 d . . .
C20A C 0.6964(3) 0.2311(3) 0.0793(3) 0.0355(10) Uani 1 1 d . . .
H20B H 0.7255(3) 0.2597(3) 0.1404(3) 0.043 Uiso 1 1 d R . .
C21A C 0.6879(3) 0.1489(3) 0.0348(3) 0.0435(12) Uani 1 1 d . . .
H21B H 0.7112(3) 0.1212(3) 0.0654(3) 0.052 Uiso 1 1 d R . .
C22A C 0.6465(3) 0.1070(3) -0.0529(3) 0.0432(12) Uani 1 1 d . . .
H22B H 0.6411(3) 0.0502(3) -0.0834(3) 0.052 Uiso 1 1 d R . .
C23A C 0.6125(3) 0.1469(3) -0.0974(3) 0.0448(12) Uani 1 1 d . . .
H23B H 0.5840(3) 0.1178(3) -0.1585(3) 0.054 Uiso 1 1 d R . .
C24A C 0.6197(3) 0.2305(3) -0.0525(3) 0.0368(10) Uani 1 1 d . . .
H24B H 0.5953(3) 0.2580(3) -0.0829(3) 0.044 Uiso 1 1 d R . .
C25A C 0.6606(3) 0.4252(2) 0.0294(3) 0.0315(9) Uani 1 1 d . . .
C26A C 0.7327(3) 0.4610(3) 0.0273(3) 0.0500(13) Uani 1 1 d . . .
H26B H 0.7847(3) 0.4575(3) 0.0585(3) 0.060 Uiso 1 1 d R . .
C27A C 0.7261(4) 0.5013(4) -0.0214(4) 0.0734(18) Uani 1 1 d . . .
H27B H 0.7748(4) 0.5275(4) -0.0217(4) 0.088 Uiso 1 1 d R . .
C28A C 0.6512(4) 0.5045(4) -0.0694(4) 0.0753(19) Uani 1 1 d . . .
H28B H 0.6482(4) 0.5319(4) -0.1030(4) 0.090 Uiso 1 1 d R . .
C29A C 0.5809(4) 0.4677(4) -0.0681(4) 0.0580(14) Uani 1 1 d . . .
H29B H 0.5286(4) 0.4687(4) -0.1023(4) 0.070 Uiso 1 1 d R . .
C30A C 0.5851(3) 0.4301(3) -0.0184(3) 0.0419(11) Uani 1 1 d . . .
H30B H 0.5363(3) 0.4070(3) -0.0165(3) 0.050 Uiso 1 1 d R . .
C31A C 0.8728(2) 0.5678(2) 0.3559(2) 0.0288(9) Uani 1 1 d . . .
C32A C 0.9000(3) 0.6461(2) 0.3635(3) 0.0319(9) Uani 1 1 d . . .
H32B H 0.8807(3) 0.6523(2) 0.3133(3) 0.038 Uiso 1 1 d R . .
C33A C 0.9546(3) 0.7157(3) 0.4429(3) 0.0377(10) Uani 1 1 d . . .
H33B H 0.9727(3) 0.7686(3) 0.4467(3) 0.045 Uiso 1 1 d R . .
C34A C 0.9826(3) 0.7070(3) 0.5168(3) 0.0394(11) Uani 1 1 d . . .
H34B H 1.0193(3) 0.7541(3) 0.5717(3) 0.047 Uiso 1 1 d R . .
C35A C 0.9564(3) 0.6293(3) 0.5092(3) 0.0378(11) Uani 1 1 d . . .
H35B H 0.9760(3) 0.6234(3) 0.5595(3) 0.045 Uiso 1 1 d R . .
C36A C 0.9017(2) 0.5588(3) 0.4299(3) 0.0312(9) Uani 1 1 d . . .
C37A C 0.8732(3) 0.4767(3) 0.4268(3) 0.0444(12) Uani 1 1 d . . .
H37D H 0.8353(3) 0.4337(3) 0.3670(3) 0.067 Uiso 1 1 d R . .
H37E H 0.8439(3) 0.4816(3) 0.4616(3) 0.067 Uiso 1 1 d R . .
H37F H 0.9217(3) 0.4611(3) 0.4498(3) 0.067 Uiso 1 1 d R . .
C38A C 0.8837(2) 0.4372(2) 0.2145(2) 0.0243(8) Uani 1 1 d . . .
Pd3 Pd 0.467552(19) 0.774938(19) 0.51882(2) 0.02830(9) Uani 1 1 d . . .
P1B P 0.37164(6) 0.80203(7) 0.56556(7) 0.0273(2) Uani 1 1 d . . .
P2B P 0.35674(6) 0.66289(7) 0.39770(7) 0.0285(2) Uani 1 1 d . . .
F1B F 0.53068(18) 0.68688(19) 0.4020(2) 0.0756(11) Uani 1 1 d . . .
F2B F 0.62431(19) 0.7466(2) 0.5333(2) 0.0699(9) Uani 1 1 d . . .
F3B F 0.59388(18) 0.8186(2) 0.4705(2) 0.0663(9) Uani 1 1 d . . .
C1B C 0.3457(3) 0.8929(3) 0.5654(3) 0.0329(10) Uani 1 1 d . . .
C2B C 0.3221(3) 0.9430(3) 0.6239(3) 0.0388(11) Uani 1 1 d . . .
H2BA H 0.3191(3) 0.9303(3) 0.6668(3) 0.047 Uiso 1 1 d R . .
C3B C 0.3027(3) 1.0112(3) 0.6188(3) 0.0471(12) Uani 1 1 d . . .
H3BA H 0.2856(3) 1.0442(3) 0.6578(3) 0.057 Uiso 1 1 d R . .
C4B C 0.3081(3) 1.0312(3) 0.5576(3) 0.0498(13) Uani 1 1 d . . .
H4BA H 0.2969(3) 1.0791(3) 0.5560(3) 0.060 Uiso 1 1 d R . .
C5B C 0.3302(3) 0.9813(3) 0.4991(4) 0.0557(14) Uani 1 1 d . . .
H5BA H 0.3325(3) 0.9939(3) 0.4558(4) 0.067 Uiso 1 1 d R . .
C6B C 0.3490(3) 0.9124(3) 0.5028(3) 0.0482(12) Uani 1 1 d . . .
H6BA H 0.3639(3) 0.8784(3) 0.4621(3) 0.058 Uiso 1 1 d R . .
C7B C 0.3941(3) 0.8123(3) 0.6713(3) 0.0291(9) Uani 1 1 d . . .
C8B C 0.3623(3) 0.7448(3) 0.6792(3) 0.0377(10) Uani 1 1 d . . .
H8BA H 0.3242(3) 0.6936(3) 0.6292(3) 0.045 Uiso 1 1 d R . .
C9B C 0.3865(3) 0.7517(3) 0.7614(3) 0.0474(12) Uani 1 1 d . . .
H9BA H 0.3645(3) 0.7053(3) 0.7669(3) 0.057 Uiso 1 1 d R . .
C10B C 0.4416(3) 0.8256(3) 0.8336(3) 0.0477(12) Uani 1 1 d . . .
H10C H 0.4586(3) 0.8301(3) 0.8891(3) 0.057 Uiso 1 1 d R . .
C11B C 0.4728(3) 0.8934(3) 0.8252(3) 0.0473(12) Uani 1 1 d . . .
H11C H 0.5098(3) 0.9450(3) 0.8753(3) 0.057 Uiso 1 1 d R . .
C12B C 0.4498(3) 0.8863(3) 0.7446(3) 0.0380(10) Uani 1 1 d . . .
H12C H 0.4725(3) 0.9327(3) 0.7395(3) 0.046 Uiso 1 1 d R . .
C13B C 0.2733(2) 0.7141(3) 0.4925(3) 0.0285(9) Uani 1 1 d . . .
C14B C 0.2027(3) 0.7100(3) 0.5068(3) 0.0362(10) Uani 1 1 d . . .
H14C H 0.2039(3) 0.7558(3) 0.5534(3) 0.043 Uiso 1 1 d R . .
C15B C 0.1319(3) 0.6392(3) 0.4529(3) 0.0397(11) Uani 1 1 d . . .
H15C H 0.0848(3) 0.6360(3) 0.4630(3) 0.048 Uiso 1 1 d R . .
C16B C 0.1296(3) 0.5730(3) 0.3845(3) 0.0410(11) Uani 1 1 d . . .
H16C H 0.0814(3) 0.5239(3) 0.3485(3) 0.049 Uiso 1 1 d R . .
C17B C 0.1967(2) 0.5780(3) 0.3683(3) 0.0365(10) Uani 1 1 d . . .
H17C H 0.1940(2) 0.5327(3) 0.3202(3) 0.044 Uiso 1 1 d R . .
C18B C 0.2685(2) 0.6484(3) 0.4211(3) 0.0298(9) Uani 1 1 d . . .
C19B C 0.3639(3) 0.5594(3) 0.3531(3) 0.0317(9) Uani 1 1 d . . .
C20B C 0.4258(3) 0.5421(3) 0.4059(3) 0.0433(12) Uani 1 1 d . . .
H20C H 0.4654(3) 0.5846(3) 0.4625(3) 0.052 Uiso 1 1 d R . .
C21B C 0.4285(4) 0.4622(4) 0.3748(4) 0.0611(16) Uani 1 1 d . . .
H21C H 0.4706(4) 0.4498(4) 0.4103(4) 0.073 Uiso 1 1 d R . .
C22B C 0.3710(4) 0.3996(3) 0.2923(4) 0.0598(16) Uani 1 1 d . . .
H22C H 0.3725(4) 0.3445(3) 0.2720(4) 0.072 Uiso 1 1 d R . .
C23B C 0.3118(3) 0.4182(3) 0.2405(4) 0.0526(14) Uani 1 1 d . . .
H23C H 0.2729(3) 0.3759(3) 0.1835(4) 0.063 Uiso 1 1 d R . .
C24B C 0.3080(3) 0.4981(3) 0.2698(3) 0.0399(11) Uani 1 1 d . . .
H24C H 0.2671(3) 0.5107(3) 0.2331(3) 0.048 Uiso 1 1 d R . .
C25B C 0.3179(3) 0.6834(3) 0.3067(3) 0.0347(10) Uani 1 1 d . . .
C26B C 0.2503(4) 0.7060(4) 0.2852(4) 0.0743(19) Uani 1 1 d . . .
H26C H 0.2181(4) 0.7072(4) 0.3148(4) 0.089 Uiso 1 1 d R . .
C27B C 0.2263(4) 0.7270(5) 0.2192(4) 0.089(2) Uani 1 1 d . . .
H27C H 0.1786(4) 0.7434(5) 0.2052(4) 0.107 Uiso 1 1 d R . .
C28B C 0.2697(4) 0.7248(4) 0.1762(4) 0.0680(17) Uani 1 1 d . . .
H28C H 0.2542(4) 0.7410(4) 0.1328(4) 0.082 Uiso 1 1 d R . .
C29B C 0.3366(5) 0.6993(5) 0.1952(5) 0.094(2) Uani 1 1 d . . .
H29C H 0.3657(5) 0.6939(5) 0.1622(5) 0.113 Uiso 1 1 d R . .
C30B C 0.3613(4) 0.6805(5) 0.2612(4) 0.086(2) Uani 1 1 d . . .
H30C H 0.4098(4) 0.6655(5) 0.2755(4) 0.104 Uiso 1 1 d R . .
C31B C 0.5600(2) 0.8809(3) 0.6282(3) 0.0374(11) Uani 1 1 d . . .
C32B C 0.5713(3) 0.9570(3) 0.6273(3) 0.0444(12) Uani 1 1 d . . .
H32C H 0.5356(3) 0.9587(3) 0.5777(3) 0.053 Uiso 1 1 d R . .
C33B C 0.6339(3) 1.0301(3) 0.6978(4) 0.0592(16) Uani 1 1 d . . .
H33C H 0.6407(3) 1.0815(3) 0.6965(4) 0.071 Uiso 1 1 d R . .
C34B C 0.6853(3) 1.0270(4) 0.7692(3) 0.0580(15) Uani 1 1 d . . .
H34C H 0.7284(3) 1.0767(4) 0.8174(3) 0.070 Uiso 1 1 d R . .
C35B C 0.6757(3) 0.9534(4) 0.7720(3) 0.0556(15) Uani 1 1 d . . .
H35C H 0.7116(3) 0.9526(4) 0.8222(3) 0.067 Uiso 1 1 d R . .
C36B C 0.6118(3) 0.8780(3) 0.7001(3) 0.0432(12) Uani 1 1 d . . .
C37B C 0.6023(4) 0.7999(4) 0.7053(4) 0.0652(16) Uani 1 1 d . . .
H37G H 0.5563(4) 0.7540(4) 0.6512(4) 0.098 Uiso 1 1 d R . .
H37H H 0.5902(4) 0.8062(4) 0.7530(4) 0.098 Uiso 1 1 d R . .
H37I H 0.6541(4) 0.7877(4) 0.7152(4) 0.098 Uiso 1 1 d R . .
C38B C 0.5609(3) 0.7562(3) 0.4787(3) 0.0354(10) Uani 1 1 d . . .
C101 C 1.1256(7) 1.2362(7) 0.1665(7) 0.186(6) Uani 1 1 d . . .
D10D H 1.0787(7) 1.2081(7) 0.1073(7) 0.223 Uiso 1 1 d R . .
D10E H 1.1766(7) 1.2601(7) 0.1647(7) 0.223 Uiso 1 1 d R . .
Cl1 Cl 1.1391(2) 1.1630(3) 0.2010(3) 0.2059(17) Uani 1 1 d . . .
Cl2 Cl 1.1052(2) 1.3165(2) 0.2333(2) 0.1915(15) Uani 1 1 d . . .
C102 C 0.0371(10) 0.4777(10) 0.0941(10) 0.111(5) Uiso 0.50 1 d P . .
D10F H 0.0626(10) 0.5333(10) 0.1018(10) 0.133 Uiso 0.50 1 d PR A .
D10G H 0.0365(10) 0.4863(10) 0.1485(10) 0.133 Uiso 0.50 1 d PR A .
Cl3 Cl 0.0916(4) 0.4266(4) 0.0859(4) 0.158(2) Uiso 0.50 1 d P A .
Cl4 Cl -0.0692(4) 0.4285(4) 0.0125(4) 0.0638(15) Uiso 0.25 1 d P A 1
Cl4' Cl 0.0000 0.5000 0.0000 0.290(7) Uiso 0.50 2 d SP . 2
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 C31 2.085(4) . ?
Pd1 C38 2.166(4) . ?
Pd1 P1 2.2750(17) . ?
Pd1 P2 2.3141(12) . ?
P1 C7 1.814(4) . ?
P1 C1 1.817(4) . ?
P1 C13 1.832(4) . ?
P2 C25 1.825(4) . ?
P2 C19 1.834(4) . ?
P2 C18 1.836(4) . ?
F1 C38 1.335(4) . ?
F2 C38 1.346(4) . ?
F3 C38 1.306(4) . ?
C1 C6 1.388(6) . ?
C1 C2 1.389(5) . ?
C2 H2A 0.9499 . ?
C2 C3 1.387(6) . ?
C3 H3A 0.9499 . ?
C3 C4 1.376(7) . ?
C4 H4A 0.9500 . ?
C4 C5 1.383(7) . ?
C5 H5A 0.9501 . ?
C5 C6 1.388(6) . ?
C6 H6A 0.9499 . ?
C7 C12 1.395(6) . ?
C7 C8 1.395(6) . ?
C8 H8A 0.9499 . ?
C8 C9 1.356(6) . ?
C9 H9A 0.9500 . ?
C9 C10 1.392(7) . ?
C10 H10A 0.9499 . ?
C10 C11 1.387(7) . ?
C11 H11A 0.9499 . ?
C11 C12 1.396(6) . ?
C12 H12A 0.9500 . ?
C13 C18 1.390(5) . ?
C13 C14 1.400(5) . ?
C14 H14A 0.9500 . ?
C14 C15 1.394(6) . ?
C15 H15A 0.9500 . ?
C15 C16 1.376(6) . ?
C16 H16A 0.9501 . ?
C16 C17 1.372(6) . ?
C17 H17A 0.9501 . ?
C17 C18 1.382(5) . ?
C19 C24 1.374(6) . ?
C19 C20 1.375(6) . ?
C20 H20A 0.9500 . ?
C20 C21 1.362(7) . ?
C21 H21A 0.9500 . ?
C21 C22 1.359(7) . ?
C22 H22A 0.9499 . ?
C22 C23 1.364(7) . ?
C23 H23A 0.9500 . ?
C23 C24 1.384(6) . ?
C24 H24A 0.9500 . ?
C25 C30 1.359(6) . ?
C25 C26 1.379(7) . ?
C26 H26A 0.9499 . ?
C26 C27 1.364(8) . ?
C27 H27A 0.9500 . ?
C27 C28 1.365(10) . ?
C28 H28A 0.9501 . ?
C28 C29 1.357(9) . ?
C29 H29A 0.9499 . ?
C29 C30 1.400(8) . ?
C30 H30A 0.9500 . ?
C31 C36 1.376(5) . ?
C31 C32 1.386(5) . ?
C32 H32A 0.9499 . ?
C32 C33 1.401(5) . ?
C33 H33A 0.9500 . ?
C33 C34 1.368(6) . ?
C34 H34A 0.9500 . ?
C34 C35 1.383(6) . ?
C35 H35A 0.9500 . ?
C35 C36 1.400(6) . ?
C36 C37 1.503(6) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9801 . ?
C37 H37C 0.9801 . ?
Pd2 C31A 2.062(4) . ?
Pd2 C38A 2.143(4) . ?
Pd2 P1A 2.2910(11) . ?
Pd2 P2A 2.316(2) . ?
P1A C7A 1.818(4) . ?
P1A C1A 1.818(4) . ?
P1A C13A 1.835(4) . ?
P2A C25A 1.817(4) . ?
P2A C19A 1.824(4) . ?
P2A C18A 1.827(4) . ?
F1A C38A 1.323(4) . ?
F2A C38A 1.341(5) . ?
F3A C38A 1.339(4) . ?
C1A C6A 1.389(6) . ?
C1A C2A 1.400(6) . ?
C2A H2AA 0.9500 . ?
C2A C3A 1.378(6) . ?
C3A H3AA 0.9501 . ?
C3A C4A 1.366(7) . ?
C4A H4AA 0.9500 . ?
C4A C5A 1.397(7) . ?
C5A H5AA 0.9499 . ?
C5A C6A 1.381(6) . ?
C6A H6AA 0.9501 . ?
C7A C8A 1.388(6) . ?
C7A C12A 1.396(6) . ?
C8A H8AA 0.9500 . ?
C8A C9A 1.386(6) . ?
C9A H9AA 0.9501 . ?
C9A C10A 1.370(7) . ?
C10A H10B 0.9500 . ?
C10A C11A 1.376(7) . ?
C11A H11B 0.9501 . ?
C11A C12A 1.384(6) . ?
C12A H12B 0.9499 . ?
C13A C14A 1.379(5) . ?
C13A C18A 1.410(5) . ?
C14A H14B 0.9501 . ?
C14A C15A 1.389(6) . ?
C15A H15B 0.9499 . ?
C15A C16A 1.376(6) . ?
C16A H16B 0.9501 . ?
C16A C17A 1.390(6) . ?
C17A H17B 0.9500 . ?
C17A C18A 1.390(5) . ?
C19A C20A 1.371(6) . ?
C19A C24A 1.382(6) . ?
C20A H20B 0.9500 . ?
C20A C21A 1.374(6) . ?
C21A H21B 0.9499 . ?
C21A C22A 1.363(6) . ?
C22A H22B 0.9500 . ?
C22A C23A 1.376(6) . ?
C23A H23B 0.9499 . ?
C23A C24A 1.404(6) . ?
C24A H24B 0.9500 . ?
C25A C30A 1.395(6) . ?
C25A C26A 1.404(6) . ?
C26A H26B 0.9500 . ?
C26A C27A 1.382(7) . ?
C27A H27B 0.9500 . ?
C27A C28A 1.371(8) . ?
C28A H28B 0.9501 . ?
C28A C29A 1.374(8) . ?
C29A H29B 0.9499 . ?
C29A C30A 1.362(6) . ?
C30A H30B 0.9500 . ?
C31A C32A 1.389(6) . ?
C31A C36A 1.398(6) . ?
C32A H32B 0.9501 . ?
C32A C33A 1.390(6) . ?
C33A H33B 0.9499 . ?
C33A C34A 1.393(6) . ?
C34A H34B 0.9500 . ?
C34A C35A 1.375(6) . ?
C35A H35B 0.9500 . ?
C35A C36A 1.397(6) . ?
C36A C37A 1.498(6) . ?
C37A H37F 0.9800 . ?
C37A H37D 0.9801 . ?
C37A H37E 0.9801 . ?
Pd3 C31B 2.070(4) . ?
Pd3 C38B 2.137(4) . ?
Pd3 P1B 2.2820(12) . ?
Pd3 P2B 2.305(2) . ?
P1B C1B 1.819(4) . ?
P1B C7B 1.824(4) . ?
P1B C13B 1.828(4) . ?
P2B C19B 1.820(4) . ?
P2B C25B 1.829(4) . ?
P2B C18B 1.836(4) . ?
F1B C38B 1.350(5) . ?
F2B C38B 1.340(5) . ?
F3B C38B 1.308(5) . ?
C1B C6B 1.389(6) . ?
C1B C2B 1.402(6) . ?
C2B H2BA 0.9500 . ?
C2B C3B 1.392(6) . ?
C3B H3BA 0.9499 . ?
C3B C4B 1.381(7) . ?
C4B H4BA 0.9500 . ?
C4B C5B 1.382(7) . ?
C5B H5BA 0.9499 . ?
C5B C6B 1.392(7) . ?
C6B H6BA 0.9500 . ?
C7B C8B 1.380(6) . ?
C7B C12B 1.382(6) . ?
C8B H8BA 0.9500 . ?
C8B C9B 1.407(6) . ?
C9B H9BA 0.9500 . ?
C9B C10B 1.371(7) . ?
C10B H10C 0.9501 . ?
C10B C11B 1.387(7) . ?
C11B H11C 0.9501 . ?
C11B C12B 1.380(6) . ?
C12B H12C 0.9500 . ?
C13B C18B 1.390(6) . ?
C13B C14B 1.413(5) . ?
C14B H14C 0.9499 . ?
C14B C15B 1.383(6) . ?
C15B H15C 0.9501 . ?
C15B C16B 1.381(6) . ?
C16B H16C 0.9501 . ?
C16B C17B 1.371(6) . ?
C17B H17C 0.9499 . ?
C17B C18B 1.388(6) . ?
C19B C24B 1.383(6) . ?
C19B C20B 1.388(6) . ?
C20B H20C 0.9500 . ?
C20B C21B 1.382(7) . ?
C21B H21C 0.9499 . ?
C21B C22B 1.386(8) . ?
C22B H22C 0.9500 . ?
C22B C23B 1.368(8) . ?
C23B H23C 0.9500 . ?
C23B C24B 1.388(6) . ?
C24B H24C 0.9500 . ?
C25B C26B 1.344(7) . ?
C25B C30B 1.365(7) . ?
C26B H26C 0.9500 . ?
C26B C27B 1.397(7) . ?
C27B H27C 0.9500 . ?
C27B C28B 1.327(8) . ?
C28B H28C 0.9501 . ?
C28B C29B 1.361(8) . ?
C29B H29C 0.9500 . ?
C29B C30B 1.368(8) . ?
C30B H30C 0.9500 . ?
C31B C36B 1.382(6) . ?
C31B C32B 1.397(6) . ?
C32B H32C 0.9500 . ?
C32B C33B 1.392(7) . ?
C33B H33C 0.9501 . ?
C33B C34B 1.373(8) . ?
C34B H34C 0.9500 . ?
C34B C35B 1.371(7) . ?
C35B H35C 0.9499 . ?
C35B C36B 1.427(7) . ?
C36B C37B 1.472(7) . ?
C37B H37G 0.9800 . ?
C37B H37I 0.9800 . ?
C37B H37H 0.9801 . ?
C101 D10D 0.9899 . ?
C101 D10E 0.9901 . ?
C101 Cl1 1.731(12) . ?
C101 Cl2 1.740(12) . ?
C102 D10G 0.9901 . ?
C102 D10F 0.9901 . ?
C102 Cl3 1.487(15) . ?
C102 Cl4 1.785(16) . ?
C102 Cl4' 1.900(16) . ?
D10F Cl4' 1.638(16) . ?
Cl4' D10F 1.638(16) 2_565 ?
Cl4' C102 1.900(16) 2_565 ?
