#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/44/2234485.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2234485
loop_
_publ_author_name
'Burgoyne, Andrew R.'
'Meijboom, Reinout'
'Ogutu, Hezron'
_publ_section_title
;
 trans-Dichloridobis[dicyclohexyl(phenyl)phosphane-κP]palladium(II)
;
_journal_coeditor_code           ZL2455
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m404
_journal_paper_doi               10.1107/S1600536812010100
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pd Cl2 (C18 H27 P)2]'
_chemical_formula_moiety         'C36 H54 Cl2 P2 Pd1'
_chemical_formula_sum            'C36 H54 Cl2 P2 Pd'
_chemical_formula_weight         726.03
_chemical_name_systematic
;
trans-Dichloridobis[dicyclohexyl(phenyl)phosphane-
κP]palladium(II)
;
_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                113.115(2)
_cell_angle_beta                 107.321(2)
_cell_angle_gamma                91.625(2)
_cell_formula_units_Z            1
_cell_length_a                   9.439(4)
_cell_length_b                   10.095(4)
_cell_length_c                   10.623(5)
_cell_measurement_reflns_used    9929
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.9
_cell_measurement_theta_min      2.2
_cell_volume                     876.5(7)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker X8 APEXII 4K KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12144
_diffrn_reflns_theta_full        24.85
_diffrn_reflns_theta_max         24.85
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.797
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.885
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       conical
_exptl_crystal_F_000             380
_exptl_crystal_size_max          0.265
_exptl_crystal_size_mid          0.128
_exptl_crystal_size_min          0.107
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.382
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.187
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         2931
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0125P)²+0.5911P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0511
_reflns_number_gt                2891
_reflns_number_total             2931
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            zl2455.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C36 H54 Cl2 P2 Pd1'
_cod_database_code               2234485
_cod_database_fobs_code          2234485
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.8288(11) -0.1156(10) 0.6237(7) 0.0215(7) Uani d PG 0.587(9) 1 A 1
C C2 0.9177(12) -0.2245(12) 0.6081(9) 0.025(3) Uani d PG 0.587(9) 1 A 1
H H2 0.9665 -0.2441 0.6874 0.030 Uiso calc PR 0.587(9) 1 A 1
C C3 0.9336(9) -0.3042(9) 0.4741(10) 0.030(3) Uani d PG 0.587(9) 1 A 1
H H3 0.9931 -0.3770 0.4637 0.036 Uiso calc PR 0.587(9) 1 A 1
C C4 0.8606(8) -0.2749(8) 0.3556(8) 0.038(2) Uani d PG 0.587(9) 1 A 1
H H4 0.8713 -0.3282 0.2660 0.045 Uiso calc PR 0.587(9) 1 A 1
C C5 0.7718(9) -0.1660(9) 0.3712(7) 0.040(4) Uani d PG 0.587(9) 1 A 1
H H5 0.7229 -0.1465 0.2920 0.048 Uiso calc PR 0.587(9) 1 A 1
C C6 0.7558(7) -0.0864(7) 0.5053(8) 0.0294(15) Uani d PG 0.587(9) 1 A 1
H H6 0.6964 -0.0135 0.5157 0.035 Uiso calc PR 0.587(9) 1 A 1
C C1B 0.8337(16) -0.1023(17) 0.6235(11) 0.0215(7) Uani d PD 0.413(9) 1 A 2
H H1B 0.9155 -0.0324 0.6342 0.026 Uiso calc PR 0.413(9) 1 A 2
C C2B 0.892(2) -0.2484(19) 0.5907(14) 0.021(3) Uani d PD 0.413(9) 1 A 2
H H2BA 0.8132 -0.3233 0.5748 0.025 Uiso calc PR 0.413(9) 1 A 2
H H2BB 0.9771 -0.2397 0.6732 0.025 Uiso calc PR 0.413(9) 1 A 2
C C3B 0.9388(17) -0.2926(17) 0.4549(15) 0.027(3) Uani d PD 0.413(9) 1 A 2
H H3BA 1.0238 -0.2223 0.4747 0.033 Uiso calc PR 0.413(9) 1 A 2
H H3BB 0.9705 -0.3873 0.4327 0.033 Uiso calc PR 0.413(9) 1 A 2
C C4B 0.8129(12) -0.2994(11) 0.3271(10) 0.023(2) Uani d PD 0.413(9) 1 A 2
H H4BA 0.7318 -0.3765 0.3012 0.027 Uiso calc PR 0.413(9) 1 A 2
H H4BB 0.8477 -0.3228 0.2448 0.027 Uiso calc PR 0.413(9) 1 A 2
C C5B 0.7549(14) -0.1569(12) 0.3589(11) 0.023(3) Uani d PD 0.413(9) 1 A 2
H H5BA 0.6712 -0.1655 0.2751 0.028 Uiso calc PR 0.413(9) 1 A 2
H H5BB 0.8337 -0.0811 0.3773 0.028 Uiso calc PR 0.413(9) 1 A 2
C C6B 0.7032(10) -0.1141(10) 0.4917(11) 0.0224(18) Uani d PD 0.413(9) 1 A 2
H H6BA 0.6677 -0.0212 0.5118 0.027 Uiso calc PR 0.413(9) 1 A 2
H H6BB 0.6207 -0.1871 0.4718 0.027 Uiso calc PR 0.413(9) 1 A 2
C C7 0.7420(2) 0.1499(2) 0.8114(2) 0.0247(4) Uani d D 1 1 A .
H H7 0.6498 0.1300 0.7292 0.030 Uiso calc R 1 1 . .
C C8 0.8584(3) 0.2478(2) 0.8001(2) 0.0335(5) Uani d D 1 1 . .
H H8A 0.8772 0.1976 0.7093 0.040 Uiso calc R 1 1 . .
H H8B 0.9522 0.2690 0.8792 0.040 Uiso calc R 1 1 . .
C C9 0.8040(3) 0.3903(2) 0.8064(2) 0.0355(5) Uani d D 1 1 . .
H H9A 0.8816 0.4529 0.8034 0.043 Uiso calc R 1 1 . .
H H9B 0.7152 0.3697 0.7224 0.043 Uiso calc R 1 1 . .
C C10 0.7666(3) 0.4687(2) 0.9438(2) 0.0353(5) Uani d D 1 1 . .
H H10A 0.8579 0.4988 1.0275 0.042 Uiso calc R 1 1 . .
H H10B 0.7267 0.5558 0.9424 0.042 Uiso calc R 1 1 . .
C C11 0.6531(3) 0.3725(2) 0.9585(3) 0.0365(5) Uani d D 1 1 . .
H H11A 0.5577 0.3531 0.8818 0.044 Uiso calc R 1 1 . .
H H11B 0.6378 0.4236 1.0508 0.044 Uiso calc R 1 1 . .
C C12 0.7038(2) 0.2278(2) 0.9498(2) 0.0288(4) Uani d D 1 1 . .
H H12A 0.6242 0.1658 0.9509 0.035 Uiso calc R 1 1 . .
H H12B 0.7916 0.2459 1.0339 0.035 Uiso calc R 1 1 . .
C C13 0.6240(7) -0.1337(11) 0.7724(14) 0.017(2) Uani d P 0.587(9) 1 A 1
H H13 0.6085 -0.0958 0.8667 0.020 Uiso calc PR 0.587(9) 1 A 1
C C14 0.4830(6) -0.1221(6) 0.6629(6) 0.0260(12) Uani d P 0.587(9) 1 A 1
H H14A 0.4726 -0.0202 0.6898 0.031 Uiso calc PR 0.587(9) 1 A 1
H H14B 0.4928 -0.1611 0.5672 0.031 Uiso calc PR 0.587(9) 1 A 1
C C15 0.3432(8) -0.2058(7) 0.6579(13) 0.038(2) Uani d P 0.587(9) 1 A 1
H H15A 0.3289 -0.1617 0.7515 0.046 Uiso calc PR 0.587(9) 1 A 1
H H15B 0.2557 -0.1994 0.5855 0.046 Uiso calc PR 0.587(9) 1 A 1
C C16 0.3565(8) -0.3654(7) 0.6210(8) 0.0311(14) Uani d P 0.587(9) 1 A 1
H H16A 0.2694 -0.4143 0.6255 0.037 Uiso calc PR 0.587(9) 1 A 1
H H16B 0.3591 -0.4128 0.5228 0.037 Uiso calc PR 0.587(9) 1 A 1
C C17 0.4985(10) -0.3777(10) 0.7268(16) 0.029(2) Uani d P 0.587(9) 1 A 1
H H17A 0.5083 -0.4798 0.6985 0.035 Uiso calc PR 0.587(9) 1 A 1
H H17B 0.4903 -0.3397 0.8232 0.035 Uiso calc PR 0.587(9) 1 A 1
C C18 0.6381(8) -0.2948(9) 0.7318(17) 0.023(3) Uani d P 0.587(9) 1 A 1
H H18A 0.6513 -0.3373 0.6377 0.028 Uiso calc PR 0.587(9) 1 A 1
H H18B 0.7258 -0.3027 0.8029 0.028 Uiso calc PR 0.587(9) 1 A 1
C C13B 0.6193(7) -0.1534(11) 0.7533(16) 0.027(5) Uani d PG 0.413(9) 1 A 2
C C14B 0.4787(8) -0.1111(7) 0.7229(11) 0.0331(19) Uani d PG 0.413(9) 1 A 2
H H14C 0.4707 -0.0176 0.7283 0.040 Uiso calc PR 0.413(9) 1 A 2
C C15B 0.3501(7) -0.2087(9) 0.6846(13) 0.045(5) Uani d PG 0.413(9) 1 A 2
H H15C 0.2560 -0.1804 0.6642 0.054 Uiso calc PR 0.413(9) 1 A 2
C C16B 0.3620(11) -0.3485(8) 0.6766(10) 0.033(2) Uani d PG 0.413(9) 1 A 2
H H16C 0.2760 -0.4137 0.6509 0.040 Uiso calc PR 0.413(9) 1 A 2
C C17B 0.5026(14) -0.3907(9) 0.7070(17) 0.035(5) Uani d PG 0.413(9) 1 A 2
H H17C 0.5106 -0.4843 0.7016 0.042 Uiso calc PR 0.413(9) 1 A 2
C C18B 0.6312(10) -0.2932(14) 0.745(2) 0.032(6) Uani d PG 0.413(9) 1 A 2
H H18C 0.7253 -0.3215 0.7657 0.038 Uiso calc PR 0.413(9) 1 A 2
P P1 0.79648(5) -0.02795(5) 0.79688(5) 0.01688(11) Uani d . 1 1 . .
Cl Cl1 1.15978(5) 0.06458(5) 0.89925(5) 0.02496(11) Uani d . 1 1 . .
Pd Pd1 1.0000 0.0000 1.0000 0.01502(8) Uani d S 1 2 . .
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'
P P 0.1023 0.0942 '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'
Pd Pd -0.9988 1.0072 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C2 C1 C6 . . 120.0
C2 C1 P1 . . 117.9(5)
C6 C1 P1 . . 121.8(5)
C1 C2 C3 . . 120.0
C1 C2 H2 . . 120.0
C3 C2 H2 . . 120.0
C4 C3 C2 . . 120.0
C4 C3 H3 . . 120.0
C2 C3 H3 . . 120.0
C3 C4 C5 . . 120.0
C3 C4 H4 . . 120.0
C5 C4 H4 . . 120.0
C6 C5 C4 . . 120.0
C6 C5 H5 . . 120.0
C4 C5 H5 . . 120.0
C5 C6 C1 . . 120.0
C5 C6 H6 . . 120.0
C1 C6 H6 . . 120.0
C6B C1B C2B . . 109.7(7)
C6B C1B P1 . . 114.9(8)
C2B C1B P1 . . 113.6(8)
C6B C1B H1B . . 106.0
C2B C1B H1B . . 106.0
P1 C1B H1B . . 106.0
C1B C2B C3B . . 110.2(6)
C1B C2B H2BA . . 109.6
C3B C2B H2BA . . 109.6
C1B C2B H2BB . . 109.6
C3B C2B H2BB . . 109.6
H2BA C2B H2BB . . 108.1
C4B C3B C2B . . 111.5(7)
C4B C3B H3BA . . 109.3
C2B C3B H3BA . . 109.3
C4B C3B H3BB . . 109.3
C2B C3B H3BB . . 109.3
H3BA C3B H3BB . . 108.0
C3B C4B C5B . . 111.3(8)
C3B C4B H4BA . . 109.4
C5B C4B H4BA . . 109.4
C3B C4B H4BB . . 109.4
C5B C4B H4BB . . 109.4
H4BA C4B H4BB . . 108.0
C4B C5B C6B . . 110.8(7)
C4B C5B H5BA . . 109.5
C6B C5B H5BA . . 109.5
C4B C5B H5BB . . 109.5
C6B C5B H5BB . . 109.5
H5BA C5B H5BB . . 108.1
C1B C6B C5B . . 109.8(8)
C1B C6B H6BA . . 109.7
C5B C6B H6BA . . 109.7
C1B C6B H6BB . . 109.7
C5B C6B H6BB . . 109.7
H6BA C6B H6BB . . 108.2
C8 C7 C12 . . 111.13(16)
C8 C7 P1 . . 113.28(14)
C12 C7 P1 . . 111.08(13)
C8 C7 H7 . . 107.0
C12 C7 H7 . . 107.0
P1 C7 H7 . . 107.0
C7 C8 C9 . . 110.74(18)
C7 C8 H8A . . 109.5
C9 C8 H8A . . 109.5
C7 C8 H8B . . 109.5
C9 C8 H8B . . 109.5
H8A C8 H8B . . 108.1
C10 C9 C8 . . 111.03(17)
C10 C9 H9A . . 109.4
C8 C9 H9A . . 109.4
C10 C9 H9B . . 109.4
C8 C9 H9B . . 109.4
H9A C9 H9B . . 108.0
C11 C10 C9 . . 111.58(18)
C11 C10 H10A . . 109.3
C9 C10 H10A . . 109.3
C11 C10 H10B . . 109.3
C9 C10 H10B . . 109.3
H10A C10 H10B . . 108.0
C10 C11 C12 . . 112.03(18)
C10 C11 H11A . . 109.2
C12 C11 H11A . . 109.2
C10 C11 H11B . . 109.2
C12 C11 H11B . . 109.2
H11A C11 H11B . . 107.9
C11 C12 C7 . . 110.85(17)
C11 C12 H12A . . 109.5
C7 C12 H12A . . 109.5
C11 C12 H12B . . 109.5
C7 C12 H12B . . 109.5
H12A C12 H12B . . 108.1
C14 C13 C18 . . 109.4(6)
C14 C13 P1 . . 114.9(5)
C18 C13 P1 . . 111.5(5)
C14 C13 H13 . . 106.9
C18 C13 H13 . . 106.9
P1 C13 H13 . . 106.9
C15 C14 C13 . . 110.9(6)
C15 C14 H14A . . 109.5
C13 C14 H14A . . 109.5
C15 C14 H14B . . 109.5
C13 C14 H14B . . 109.5
H14A C14 H14B . . 108.0
C16 C15 C14 . . 111.4(5)
C16 C15 H15A . . 109.4
C14 C15 H15A . . 109.4
C16 C15 H15B . . 109.4
C14 C15 H15B . . 109.4
H15A C15 H15B . . 108.0
C17 C16 C15 . . 110.2(6)
C17 C16 H16A . . 109.6
C15 C16 H16A . . 109.6
C17 C16 H16B . . 109.6
C15 C16 H16B . . 109.6
H16A C16 H16B . . 108.1
C16 C17 C18 . . 112.1(6)
C16 C17 H17A . . 109.2
C18 C17 H17A . . 109.2
C16 C17 H17B . . 109.2
C18 C17 H17B . . 109.2
H17A C17 H17B . . 107.9
C17 C18 C13 . . 110.4(6)
C17 C18 H18A . . 109.6
C13 C18 H18A . . 109.6
C17 C18 H18B . . 109.6
C13 C18 H18B . . 109.6
H18A C18 H18B . . 108.1
C14B C13B C18B . . 120.0
C14B C13B P1 . . 121.5(5)
C18B C13B P1 . . 118.4(5)
C15B C14B C13B . . 120.0
C15B C14B H14C . . 120.0
C13B C14B H14C . . 120.0
C16B C15B C14B . . 120.0
C16B C15B H15C . . 120.0
C14B C15B H15C . . 120.0
C15B C16B C17B . . 120.0
C15B C16B H16C . . 120.0
C17B C16B H16C . . 120.0
C18B C17B C16B . . 120.0
C18B C17B H17C . . 120.0
C16B C17B H17C . . 120.0
C17B C18B C13B . . 120.0
C17B C18B H18C . . 120.0
C13B C18B H18C . . 120.0
C13 P1 C1 . . 104.6(6)
C13 P1 C7 . . 103.3(3)
C1 P1 C7 . . 107.4(3)
C13 P1 C1B . . 108.0(6)
C7 P1 C1B . . 103.5(5)
C1 P1 C13B . . 98.7(5)
C7 P1 C13B . . 106.9(3)
C1B P1 C13B . . 102.1(7)
C13 P1 Pd1 . . 115.0(3)
C1 P1 Pd1 . . 114.7(3)
C7 P1 Pd1 . . 110.95(6)
C1B P1 Pd1 . . 114.8(4)
C13B P1 Pd1 . . 117.3(4)
Cl1 Pd1 Cl1 . 2_757 180.0
Cl1 Pd1 P1 . . 89.296(16)
Cl1 Pd1 P1 2_757 . 90.704(16)
Cl1 Pd1 P1 . 2_757 90.704(16)
Cl1 Pd1 P1 2_757 2_757 89.296(16)
P1 Pd1 P1 . 2_757 180.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 C2 . 1.3900
C1 C6 . 1.3900
C1 P1 . 1.825(7)
C2 C3 . 1.3900
C2 H2 . 0.9300
C3 C4 . 1.3900
C3 H3 . 0.9300
C4 C5 . 1.3900
C4 H4 . 0.9300
C5 C6 . 1.3900
C5 H5 . 0.9300
C6 H6 . 0.9300
C1B C6B . 1.524(10)
C1B C2B . 1.534(9)
C1B P1 . 1.843(10)
C1B H1B . 0.9800
C2B C3B . 1.538(11)
C2B H2BA . 0.9700
C2B H2BB . 0.9700
C3B C4B . 1.491(12)
C3B H3BA . 0.9700
C3B H3BB . 0.9700
C4B C5B . 1.503(10)
C4B H4BA . 0.9700
C4B H4BB . 0.9700
C5B C6B . 1.536(9)
C5B H5BA . 0.9700
C5B H5BB . 0.9700
C6B H6BA . 0.9700
C6B H6BB . 0.9700
C7 C8 . 1.520(3)
C7 C12 . 1.528(3)
C7 P1 . 1.8421(19)
C7 H7 . 0.9800
C8 C9 . 1.524(3)
C8 H8A . 0.9700
C8 H8B . 0.9700
C9 C10 . 1.516(3)
C9 H9A . 0.9700
C9 H9B . 0.9700
C10 C11 . 1.507(3)
C10 H10A . 0.9700
C10 H10B . 0.9700
C11 C12 . 1.527(3)
C11 H11A . 0.9700
C11 H11B . 0.9700
C12 H12A . 0.9700
C12 H12B . 0.9700
C13 C14 . 1.528(8)
C13 C18 . 1.531(9)
C13 P1 . 1.813(7)
C13 H13 . 0.9800
C14 C15 . 1.523(8)
C14 H14A . 0.9700
C14 H14B . 0.9700
C15 C16 . 1.519(7)
C15 H15A . 0.9700
C15 H15B . 0.9700
C16 C17 . 1.516(10)
C16 H16A . 0.9700
C16 H16B . 0.9700
C17 C18 . 1.517(8)
C17 H17A . 0.9700
C17 H17B . 0.9700
C18 H18A . 0.9700
C18 H18B . 0.9700
C13B C14B . 1.3900
C13B C18B . 1.3900
C13B P1 . 1.891(7)
C14B C15B . 1.3900
C14B H14C . 0.9300
C15B C16B . 1.3900
C15B H15C . 0.9300
C16B C17B . 1.3900
C16B H16C . 0.9300
C17B C18B . 1.3900
C17B H17C . 0.9300
C18B H18C . 0.9300
P1 Pd1 . 2.3343(5)
Cl1 Pd1 . 2.3017(4)
Pd1 Cl1 2_757 2.3017(4)
Pd1 P1 2_757 2.3343(5)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C8 H8B Cl1 . 0.97 2.91 3.559(2) 125.3
C5 H5 Cl1 2_756 0.93 2.94 3.619(7) 131.1
C13 H13 Cl1 2_757 0.98 2.68 3.254(11) 117.8
C18 H18B Cl1 2_757 0.97 2.97 3.542(13) 119.1
C15 H15A Cl1 1_455 0.97 3.02 3.800(8) 138.5
