##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
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#                                                                            #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Dichlorido{[(diphenylphosphino)methyl]bis(2-methylphenyl)phosphine-
κ²P,P'}palladium(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C27 H26 Cl2 P2 Pd'
_chemical_formula_sum     'C27 H26 Cl2 P2 Pd'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac     '[Pd Cl2 (C27 H26 P2)]'
_chemical_formula_weight     589.72
_chemical_melting_point     ?
_symmetry_cell_setting     'Monoclinic'
_symmetry_space_group_name_H-M     'P2(1)/c  '
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     17.8761(10)
_cell_length_b     16.7568(9)
_cell_length_c     16.9407(9)
_cell_angle_alpha     90.00
_cell_angle_beta     90.446(3)
_cell_angle_gamma     90.00
_cell_volume     5074.4(5)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     9741
_cell_measurement_theta_min     2.43
_cell_measurement_theta_max     27.13
_cell_measurement_temperature     193(2)
_exptl_crystal_description     'prism'
_exptl_crystal_colour     'yellow'
_exptl_crystal_size_max     0.300
_exptl_crystal_size_mid     0.278
_exptl_crystal_size_min     0.257
_exptl_crystal_density_diffrn     1.544
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     2384
_exptl_absorpt_coefficient_mu     1.082
_exptl_absorpt_correction_type     'integration'
_exptl_absorpt_process_details     '(SHELXTL/XPREP; Bruker, 2005)'
_exptl_absorpt_correction_T_min     0.7275
_exptl_absorpt_correction_T_max     0.8014
_exptl_special_details
;
One distinct cell was identified using APEX2 (Bruker, 2004). Six frame
series were integrated and filtered for statistical outliers using
SAINT (Bruker, 2005) then corrected for absorption by integration using
SHELXTL/XPREP V2005/2 (Bruker, 2005) before using
SAINT/SADABS (Bruker, 2007) to sort, merge, and scale the
combined data. No decay correction was applied.
;
_diffrn_ambient_temperature     193(2)
_diffrn_radiation_type     'MoK\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     'graphite'
_diffrn_measurement_device_type     ?
_diffrn_measurement_device     'Bruker Kappa APEXII CCD'
_diffrn_measurement_method     'profile data from φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     83307
_diffrn_reflns_av_R_equivalents     0.0371
_diffrn_reflns_av_sigmaI/netI     0.0183
_diffrn_reflns_theta_min     1.67
_diffrn_reflns_theta_max     25.43
_diffrn_reflns_theta_full     25.43
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -20
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -20
_diffrn_reflns_limit_k_max     20
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_diffrn_standards_number     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Structure was phased by direct methods (Sheldrick, 2008). Systematic conditions
suggested the unambiguous space group. The space group choice was confirmed by
successful convergence of the full-matrix least-squares refinement on
F². The highest peaks in the final difference Fourier map were in the
vicinity of atoms Pd2, Cl4, C48, and C54; the final map had no other
significant features. A final analysis of variance between observed and
calculated structure factors showed some dependence on amplitude and little
dependence on resolution.
;
_reflns_number_total     9350
_reflns_number_gt     8400
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0354
_refine_ls_R_factor_gt     0.0301
_refine_ls_wR_factor_gt     0.0718
_refine_ls_wR_factor_ref     0.0739
_refine_ls_goodness_of_fit_ref     1.260
_refine_ls_restrained_S_all     1.278
_refine_ls_number_reflns     9350
_refine_ls_number_parameters     702
_refine_ls_number_restraints     469
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0262P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.006
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.661
_refine_diff_density_min     -0.472
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     ?
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'
_computing_data_collection     'APEX2 (Bruker, 2004)'
_computing_cell_refinement     'SAINT (Bruker, 2005)'
_computing_data_reduction
;
SAINT (Bruker, 2005), XPREP  (Bruker, 2005) and SADABS (Bruker,
2007)
;
_computing_structure_solution     'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics
;
SHELXTL  (Sheldrick, 2008) and CrystalMaker (CrystalMaker, 1994)
;
_computing_publication_material     'XCIF (Bruker, 2005)'
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_disorder_assembly
    _atom_site_disorder_group
    Pd Pd1 -0.003487(12) 0.267501(13) 0.482122(12) 0.02435(6) Uani d . 1 A .
    P P1 0.08444(4) 0.21236(4) 0.56213(4) 0.02565(16) Uani d D 1 . .
    P P2 -0.04231(4) 0.28693(4) 0.60477(4) 0.02460(16) Uani d . 1 A .
    Cl Cl1 0.04979(5) 0.24648(5) 0.35578(4) 0.03729(18) Uani d . 1 . .
    Cl Cl2 -0.11120(4) 0.32869(5) 0.42864(5) 0.04003(19) Uani d . 1 . .
    C C1 0.1820(3) 0.2426(6) 0.5586(6) 0.0332(16) Uani d PDU 0.58(2) A 1
    C C2 0.2345(4) 0.2155(5) 0.6137(5) 0.0372(16) Uani d PDU 0.58(2) A 1
    C C3 0.3084(4) 0.2406(6) 0.6049(7) 0.048(2) Uani d PDU 0.58(2) A 1
    H H3 0.3456 0.2234 0.6416 0.058 Uiso calc PR 0.58(2) A 1
    C C4 0.3277(5) 0.2894(8) 0.5444(7) 0.053(2) Uani d PDU 0.58(2) A 1
    H H4 0.3786 0.3046 0.5392 0.063 Uiso calc PR 0.58(2) A 1
    C C5 0.2770(6) 0.3175(7) 0.4908(6) 0.052(2) Uani d PDU 0.58(2) A 1
    H H5 0.2918 0.3526 0.4498 0.063 Uiso calc PR 0.58(2) A 1
    C C6 0.2030(5) 0.2932(7) 0.4977(7) 0.0425(19) Uani d PDU 0.58(2) A 1
    H H6 0.1666 0.3113 0.4607 0.051 Uiso calc PR 0.58(2) A 1
    C C7 0.2183(4) 0.1629(5) 0.6826(5) 0.0378(18) Uani d PDU 0.58(2) A 1
    H H7A 0.1811 0.1886 0.7164 0.057 Uiso calc PR 0.58(2) A 1
    H H7B 0.2644 0.1538 0.7129 0.057 Uiso calc PR 0.58(2) A 1
    H H7C 0.1987 0.1117 0.6637 0.057 Uiso calc PR 0.58(2) A 1
    C C1B 0.1795(4) 0.2485(8) 0.5497(8) 0.033(2) Uani d PDU 0.42(2) A 2
    C C2B 0.2402(6) 0.2222(7) 0.5947(8) 0.039(2) Uani d PDU 0.42(2) A 2
    C C3B 0.3100(6) 0.2564(7) 0.5810(9) 0.045(2) Uani d PDU 0.42(2) A 2
    H H3B 0.3523 0.2395 0.6110 0.054 Uiso calc PR 0.42(2) A 2
    C C4B 0.3181(7) 0.3139(9) 0.5247(9) 0.048(2) Uani d PDU 0.42(2) A 2
    H H4B 0.3663 0.3359 0.5158 0.057 Uiso calc PR 0.42(2) A 2
    C C5B 0.2591(7) 0.3407(8) 0.4811(8) 0.042(2) Uani d PDU 0.42(2) A 2
    H H5B 0.2658 0.3815 0.4429 0.050 Uiso calc PR 0.42(2) A 2
    C C6B 0.1889(7) 0.3078(9) 0.4931(9) 0.036(2) Uani d PDU 0.42(2) A 2
    H H6B 0.1473 0.3258 0.4627 0.043 Uiso calc PR 0.42(2) A 2
    C C7B 0.2347(6) 0.1602(8) 0.6572(9) 0.049(2) Uani d PDU 0.42(2) A 2
    H H7D 0.2828 0.1556 0.6850 0.074 Uiso calc PR 0.42(2) A 2
    H H7E 0.2219 0.1088 0.6331 0.074 Uiso calc PR 0.42(2) A 2
    H H7F 0.1958 0.1753 0.6948 0.074 Uiso calc PR 0.42(2) A 2
    C C8 0.07714(16) 0.10450(18) 0.57255(18) 0.0312(7) Uani d . 1 A .
    C C9 0.10714(17) 0.05362(19) 0.51544(19) 0.0355(7) Uani d . 1 . .
    C C10 0.0951(2) -0.0281(2) 0.5250(2) 0.0457(9) Uani d . 1 A .
    H H10 0.1140 -0.0638 0.4864 0.055 Uiso calc R 1 . .
    C C11 0.0573(2) -0.0584(2) 0.5875(3) 0.0521(10) Uani d . 1 . .
    H H11 0.0499 -0.1144 0.5916 0.063 Uiso calc R 1 A .
    C C12 0.0297(2) -0.0090(2) 0.6445(2) 0.0502(9) Uani d . 1 A .
    H H12 0.0042 -0.0302 0.6887 0.060 Uiso calc R 1 . .
    C C13 0.03945(19) 0.07127(18) 0.6368(2) 0.0405(8) Uani d . 1 . .
    H H13 0.0200 0.1057 0.6762 0.049 Uiso calc R 1 A .
    C C14 0.1503(2) 0.0829(2) 0.4460(2) 0.0465(9) Uani d . 1 A .
    H H14A 0.1231 0.1269 0.4208 0.070 Uiso calc R 1 . .
    H H14B 0.1565 0.0393 0.4081 0.070 Uiso calc R 1 . .
    H H14C 0.1996 0.1016 0.4637 0.070 Uiso calc R 1 . .
    C C15 0.04670(16) 0.26069(16) 0.65182(16) 0.0273(6) Uani d . 1 A .
    H H15A 0.0409 0.2231 0.6965 0.033 Uiso calc R 1 . .
    H H15B 0.0760 0.3080 0.6686 0.033 Uiso calc R 1 . .
    C C16 -0.11518(16) 0.22124(17) 0.63808(17) 0.0270(6) Uani d . 1 . .
    C C17 -0.17584(18) 0.2076(2) 0.58852(19) 0.0377(7) Uani d . 1 A .
    H H17 -0.1784 0.2327 0.5383 0.045 Uiso calc R 1 . .
    C C18 -0.2327(2) 0.1573(2) 0.6124(2) 0.0505(10) Uani d . 1 . .
    H H18 -0.2753 0.1496 0.5794 0.061 Uiso calc R 1 A .
    C C19 -0.2277(2) 0.1185(2) 0.6839(2) 0.0477(9) Uani d . 1 A .
    H H19 -0.2660 0.0826 0.6992 0.057 Uiso calc R 1 . .
    C C20 -0.1676(2) 0.1314(2) 0.7332(2) 0.0430(8) Uani d . 1 . .
    H H20 -0.1646 0.1042 0.7823 0.052 Uiso calc R 1 A .
    C C21 -0.11141(18) 0.1838(2) 0.71164(18) 0.0356(7) Uani d . 1 A .
    H H21 -0.0707 0.1942 0.7466 0.043 Uiso calc R 1 . .
    C C22 -0.06719(17) 0.38759(18) 0.63035(17) 0.0294(6) Uani d . 1 . .
    C C23 -0.0217(2) 0.4501(2) 0.6063(2) 0.0433(8) Uani d . 1 A .
    H H23 0.0230 0.4393 0.5783 0.052 Uiso calc R 1 . .
    C C24 -0.0414(2) 0.5281(2) 0.6231(2) 0.0510(9) Uani d . 1 . .
    H H24 -0.0095 0.5706 0.6077 0.061 Uiso calc R 1 A .
    C C25 -0.1066(2) 0.5444(2) 0.6616(2) 0.0505(9) Uani d . 1 A .
    H H25 -0.1205 0.5982 0.6717 0.061 Uiso calc R 1 . .
    C C26 -0.1520(2) 0.4832(2) 0.6855(3) 0.0575(11) Uani d . 1 . .
    H H26 -0.1971 0.4949 0.7125 0.069 Uiso calc R 1 A .
    C C27 -0.1326(2) 0.4046(2) 0.6708(2) 0.0460(9) Uani d . 1 A .
    H H27 -0.1639 0.3625 0.6884 0.055 Uiso calc R 1 . .
    Pd Pd2 0.488381(12) 0.480723(13) 0.266672(13) 0.02681(7) Uani d . 1 B .
    P P3 0.55839(4) 0.58234(4) 0.21988(4) 0.02569(16) Uani d . 1 B .
    P P4 0.42890(4) 0.59234(5) 0.29718(4) 0.02862(17) Uani d D 1 . .
    Cl Cl3 0.56527(5) 0.37017(5) 0.23698(5) 0.0431(2) Uani d . 1 . .
    Cl Cl4 0.39319(5) 0.39998(6) 0.31809(6) 0.0586(3) Uani d . 1 . .
    C C28 0.54532(16) 0.60223(19) 0.11524(18) 0.0347(7) Uani d . 1 . .
    C C29 0.58273(19) 0.5576(2) 0.0591(2) 0.0418(8) Uani d . 1 B .
    C C30 0.5684(2) 0.5757(2) -0.0217(2) 0.0530(10) Uani d . 1 . .
    H H30 0.5937 0.5467 -0.0616 0.064 Uiso calc R 1 B .
    C C31 0.5194(3) 0.6337(3) -0.0426(2) 0.0617(12) Uani d . 1 B .
    H H31 0.5105 0.6440 -0.0970 0.074 Uiso calc R 1 . .
    C C32 0.4827(2) 0.6775(3) 0.0124(2) 0.0603(11) Uani d . 1 . .
    H H32 0.4485 0.7181 -0.0031 0.072 Uiso calc R 1 B .
    C C33 0.4957(2) 0.6623(2) 0.08936(19) 0.0497(9) Uani d . 1 B .
    H H33 0.4703 0.6934 0.1277 0.060 Uiso calc R 1 . .
    C C34 0.6361(2) 0.4946(2) 0.0783(2) 0.0529(10) Uani d . 1 . .
    H H34A 0.6162 0.4615 0.1209 0.079 Uiso calc R 1 B .
    H H34B 0.6835 0.5186 0.0955 0.079 Uiso calc R 1 . .
    H H34C 0.6445 0.4615 0.0316 0.079 Uiso calc R 1 . .
    C C35 0.65584(16) 0.58542(18) 0.25143(18) 0.0307(7) Uani d . 1 . .
    C C36 0.70975(19) 0.6366(2) 0.2212(2) 0.0391(8) Uani d . 1 B .
    C C37 0.78383(19) 0.6289(2) 0.2510(2) 0.0480(9) Uani d . 1 . .
    H H37 0.8226 0.6612 0.2301 0.058 Uiso calc R 1 B .
    C C38 0.7998(2) 0.5756(2) 0.3093(2) 0.0524(10) Uani d . 1 B .
    H H38 0.8499 0.5714 0.3279 0.063 Uiso calc R 1 . .
    C C39 0.7466(2) 0.5281(2) 0.3418(2) 0.0503(9) Uani d . 1 . .
    H H39 0.7588 0.4929 0.3840 0.060 Uiso calc R 1 B .
    C C40 0.67476(18) 0.5321(2) 0.3125(2) 0.0386(7) Uani d . 1 B .
    H H40 0.6373 0.4983 0.3338 0.046 Uiso calc R 1 . .
    C C41 0.6961(2) 0.6991(3) 0.1625(3) 0.0609(11) Uani d . 1 . .
    H H41A 0.6526 0.7309 0.1781 0.091 Uiso calc R 1 B .
    H H41B 0.6863 0.6745 0.1109 0.091 Uiso calc R 1 . .
    H H41C 0.7401 0.7337 0.1591 0.091 Uiso calc R 1 . .
    C C42 0.50777(17) 0.65964(18) 0.27665(17) 0.0318(7) Uani d . 1 B .
    H H42A 0.5349 0.6768 0.3249 0.038 Uiso calc R 1 . .
    H H42B 0.4933 0.7065 0.2443 0.038 Uiso calc R 1 . .
    C C43 0.4046(2) 0.60883(11) 0.3993(2) 0.0342(9) Uani d PDU 0.838(9) B 1
    C C44 0.3333(3) 0.6318(3) 0.4212(2) 0.0477(12) Uani d PDU 0.838(9) B 1
    H H44 0.2956 0.6395 0.3821 0.057 Uiso calc PR 0.838(9) B 1
    C C45 0.3168(3) 0.6437(3) 0.5005(3) 0.0557(15) Uani d PDU 0.838(9) B 1
    H H45 0.2678 0.6588 0.5158 0.067 Uiso calc PR 0.838(9) B 1
    C C46 0.3716(3) 0.6337(2) 0.5561(2) 0.0484(13) Uani d PDU 0.838(9) B 1
    H H46 0.3606 0.6430 0.6101 0.058 Uiso calc PR 0.838(9) B 1
    C C47 0.4423(3) 0.6103(3) 0.5352(2) 0.0474(12) Uani d PDU 0.838(9) B 1
    H H47 0.4797 0.6032 0.5748 0.057 Uiso calc PR 0.838(9) B 1
    C C48 0.4594(3) 0.5970(3) 0.4567(3) 0.0421(10) Uani d PDU 0.838(9) B 1
    H H48 0.5081 0.5801 0.4423 0.050 Uiso calc PR 0.838(9) B 1
    C C43B 0.3923(12) 0.6025(5) 0.3961(7) 0.041(3) Uani d PDU 0.162(9) B 2
    C C44B 0.3159(11) 0.5970(13) 0.4095(9) 0.043(3) Uani d PDU 0.162(9) B 2
    H H44B 0.2826 0.5878 0.3665 0.052 Uiso calc PR 0.162(9) B 2
    C C45B 0.2882(11) 0.6049(15) 0.4854(10) 0.050(3) Uani d PDU 0.162(9) B 2
    H H45B 0.2359 0.6010 0.4944 0.060 Uiso calc PR 0.162(9) B 2
    C C46B 0.3361(14) 0.6182(11) 0.5473(10) 0.050(3) Uani d PDU 0.162(9) B 2
    H H46B 0.3169 0.6237 0.5991 0.060 Uiso calc PR 0.162(9) B 2
    C C47B 0.4113(14) 0.6237(13) 0.5349(10) 0.047(3) Uani d PDU 0.162(9) B 2
    H H47B 0.4441 0.6330 0.5783 0.057 Uiso calc PR 0.162(9) B 2
    C C48B 0.4406(12) 0.6158(12) 0.4593(11) 0.044(3) Uani d PDU 0.162(9) B 2
    H H48B 0.4930 0.6195 0.4512 0.052 Uiso calc PR 0.162(9) B 2
    C C49 0.35162(16) 0.61621(19) 0.23292(17) 0.0313(7) Uani d . 1 B .
    C C50 0.32022(19) 0.5565(2) 0.1869(2) 0.0418(8) Uani d . 1 . .
    H H50 0.3380 0.5032 0.1912 0.050 Uiso calc R 1 B .
    C C51 0.2627(2) 0.5748(2) 0.1346(2) 0.0537(10) Uani d . 1 B .
    H H51 0.2412 0.5343 0.1024 0.064 Uiso calc R 1 . .
    C C52 0.2368(2) 0.6517(3) 0.1295(2) 0.0527(10) Uani d . 1 . .
    H H52 0.1971 0.6638 0.0939 0.063 Uiso calc R 1 B .
    C C53 0.2674(2) 0.7115(2) 0.1749(2) 0.0465(9) Uani d . 1 B .
    H H53 0.2489 0.7645 0.1705 0.056 Uiso calc R 1 . .
    C C54 0.32488(19) 0.6945(2) 0.2270(2) 0.0424(8) Uani d . 1 . .
    H H54 0.3462 0.7356 0.2585 0.051 Uiso calc R 1 B .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Pd1 P2 . 2.2197(7) ?
    Pd1 P1 . 2.2646(8) ?
    Pd1 Cl2 . 2.3564(8) ?
    Pd1 Cl1 . 2.3758(7) ?
    P1 C1B . 1.817(6) ?
    P1 C1 . 1.818(5) ?
    P1 C8 . 1.821(3) ?
    P1 C15 . 1.853(3) ?
    P1 P2 . 2.6912(11) ?
    P2 C22 . 1.798(3) ?
    P2 C16 . 1.800(3) ?
    P2 C15 . 1.828(3) ?
    C1 C6 . 1.389(7) ?
    C1 C2 . 1.394(7) ?
    C2 C3 . 1.395(7) ?
    C2 C7 . 1.493(7) ?
    C3 C4 . 1.359(9) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.360(9) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.390(7) ?
    C5 H5 . 0.9500 ?
    C6 H6 . 0.9500 ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
    C1B C6B . 1.392(8) ?
    C1B C2B . 1.394(8) ?
    C2B C3B . 1.395(8) ?
    C2B C7B . 1.488(9) ?
    C3B C4B . 1.364(10) ?
    C3B H3B . 0.9500 ?
    C4B C5B . 1.360(10) ?
    C4B H4B . 0.9500 ?
    C5B C6B . 1.386(8) ?
    C5B H5B . 0.9500 ?
    C6B H6B . 0.9500 ?
    C7B H7D . 0.9800 ?
    C7B H7E . 0.9800 ?
    C7B H7F . 0.9800 ?
    C8 C13 . 1.399(4) ?
    C8 C9 . 1.400(4) ?
    C9 C10 . 1.396(5) ?
    C9 C14 . 1.494(5) ?
    C10 C11 . 1.359(6) ?
    C10 H10 . 0.9500 ?
    C11 C12 . 1.366(6) ?
    C11 H11 . 0.9500 ?
    C12 C13 . 1.362(5) ?
    C12 H12 . 0.9500 ?
    C13 H13 . 0.9500 ?
    C14 H14A . 0.9800 ?
    C14 H14B . 0.9800 ?
    C14 H14C . 0.9800 ?
    C15 H15A . 0.9900 ?
    C15 H15B . 0.9900 ?
    C16 C17 . 1.385(4) ?
    C16 C21 . 1.396(4) ?
    C17 C18 . 1.383(5) ?
    C17 H17 . 0.9500 ?
    C18 C19 . 1.378(5) ?
    C18 H18 . 0.9500 ?
    C19 C20 . 1.371(5) ?
    C19 H19 . 0.9500 ?
    C20 C21 . 1.386(4) ?
    C20 H20 . 0.9500 ?
    C21 H21 . 0.9500 ?
    C22 C23 . 1.389(4) ?
    C22 C27 . 1.390(4) ?
    C23 C24 . 1.383(5) ?
    C23 H23 . 0.9500 ?
    C24 C25 . 1.367(5) ?
    C24 H24 . 0.9500 ?
    C25 C26 . 1.371(5) ?
    C25 H25 . 0.9500 ?
    C26 C27 . 1.385(5) ?
    C26 H26 . 0.9500 ?
    C27 H27 . 0.9500 ?
    Pd2 P4 . 2.2146(8) ?
    Pd2 P3 . 2.2604(8) ?
    Pd2 Cl4 . 2.3469(9) ?
    Pd2 Cl3 . 2.3632(8) ?
    P3 C28 . 1.817(3) ?
    P3 C35 . 1.819(3) ?
    P3 C42 . 1.853(3) ?
    P3 P4 . 2.6738(10) ?
    P4 C49 . 1.797(3) ?
    P4 C43 . 1.808(4) ?
    P4 C43B . 1.812(9) ?
    P4 C42 . 1.841(3) ?
    C28 C29 . 1.386(5) ?
    C28 C33 . 1.410(5) ?
    C29 C30 . 1.423(5) ?
    C29 C34 . 1.457(5) ?
    C30 C31 . 1.353(6) ?
    C30 H30 . 0.9500 ?
    C31 C32 . 1.360(6) ?
    C31 H31 . 0.9500 ?
    C32 C33 . 1.346(5) ?
    C32 H32 . 0.9500 ?
    C33 H33 . 0.9500 ?
    C34 H34A . 0.9800 ?
    C34 H34B . 0.9800 ?
    C34 H34C . 0.9800 ?
    C35 C36 . 1.391(4) ?
    C35 C40 . 1.406(5) ?
    C36 C37 . 1.420(5) ?
    C36 C41 . 1.463(5) ?
    C37 C38 . 1.359(6) ?
    C37 H37 . 0.9500 ?
    C38 C39 . 1.360(6) ?
    C38 H38 . 0.9500 ?
    C39 C40 . 1.375(5) ?
    C39 H39 . 0.9500 ?
    C40 H40 . 0.9500 ?
    C41 H41A . 0.9800 ?
    C41 H41B . 0.9800 ?
    C41 H41C . 0.9800 ?
    C42 H42A . 0.9900 ?
    C42 H42B . 0.9900 ?
    C43 C44 . 1.385(5) ?
    C43 C48 . 1.390(5) ?
    C44 C45 . 1.392(5) ?
    C44 H44 . 0.9500 ?
    C45 C46 . 1.364(5) ?
    C45 H45 . 0.9500 ?
    C46 C47 . 1.373(5) ?
    C46 H46 . 0.9500 ?
    C47 C48 . 1.385(5) ?
    C47 H47 . 0.9500 ?
    C48 H48 . 0.9500 ?
    C43B C44B . 1.388(8) ?
    C43B C48B . 1.388(8) ?
    C44B C45B . 1.389(9) ?
    C44B H44B . 0.9500 ?
    C45B C46B . 1.366(9) ?
    C45B H45B . 0.9500 ?
    C46B C47B . 1.366(9) ?
    C46B H46B . 0.9500 ?
    C47B C48B . 1.392(9) ?
    C47B H47B . 0.9500 ?
    C48B H48B . 0.9500 ?
    C49 C50 . 1.384(5) ?
    C49 C54 . 1.400(5) ?
    C50 C51 . 1.387(5) ?
    C50 H50 . 0.9500 ?
    C51 C52 . 1.370(6) ?
    C51 H51 . 0.9500 ?
    C52 C53 . 1.375(5) ?
    C52 H52 . 0.9500 ?
    C53 C54 . 1.379(5) ?
    C53 H53 . 0.9500 ?
    C54 H54 . 0.9500 ?
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
    _geom_angle_publ_flag
    P2 Pd1 P1 . . 73.75(3) ?
    P2 Pd1 Cl2 . . 92.04(3) ?
    P1 Pd1 Cl2 . . 165.68(3) ?
    P2 Pd1 Cl1 . . 174.57(3) ?
    P1 Pd1 Cl1 . . 101.39(3) ?
    Cl2 Pd1 Cl1 . . 92.88(3) ?
    C1B P1 C8 . . 114.2(5) ?
    C1 P1 C8 . . 110.4(4) ?
    C1B P1 C15 . . 107.2(5) ?
    C1 P1 C15 . . 105.1(4) ?
    C8 P1 C15 . . 109.11(14) ?
    C1B P1 Pd1 . . 116.1(4) ?
    C1 P1 Pd1 . . 121.9(3) ?
    C8 P1 Pd1 . . 114.40(9) ?
    C15 P1 Pd1 . . 93.27(9) ?
    C1B P1 P2 . . 131.8(5) ?
    C1 P1 P2 . . 133.6(3) ?
    C8 P1 P2 . . 111.94(10) ?
    Pd1 P1 P2 . . 52.36(2) ?
    C22 P2 C16 . . 108.49(14) ?
    C22 P2 C15 . . 109.67(13) ?
    C16 P2 C15 . . 110.24(14) ?
    C22 P2 Pd1 . . 116.29(10) ?
    C16 P2 Pd1 . . 115.86(9) ?
    C15 P2 Pd1 . . 95.48(9) ?
    C22 P2 P1 . . 135.28(10) ?
    C16 P2 P1 . . 114.41(10) ?
    Pd1 P2 P1 . . 53.89(2) ?
    C6 C1 C2 . . 120.8(5) ?
    C6 C1 P1 . . 117.3(6) ?
    C2 C1 P1 . . 121.9(6) ?
    C1 C2 C3 . . 117.6(6) ?
    C1 C2 C7 . . 125.6(6) ?
    C3 C2 C7 . . 116.8(6) ?
    C4 C3 C2 . . 120.5(7) ?
    C4 C3 H3 . . 119.8 ?
    C2 C3 H3 . . 119.8 ?
    C3 C4 C5 . . 122.7(6) ?
    C3 C4 H4 . . 118.6 ?
    C5 C4 H4 . . 118.6 ?
    C4 C5 C6 . . 118.2(7) ?
    C4 C5 H5 . . 120.9 ?
    C6 C5 H5 . . 120.9 ?
    C1 C6 C5 . . 120.2(7) ?
    C1 C6 H6 . . 119.9 ?
    C5 C6 H6 . . 119.9 ?
    C6B C1B C2B . . 120.3(7) ?
    C6B C1B P1 . . 115.9(8) ?
    C2B C1B P1 . . 123.8(7) ?
    C1B C2B C3B . . 118.3(8) ?
    C1B C2B C7B . . 123.7(8) ?
    C3B C2B C7B . . 118.0(8) ?
    C4B C3B C2B . . 120.4(8) ?
    C4B C3B H3B . . 119.8 ?
    C2B C3B H3B . . 119.8 ?
    C5B C4B C3B . . 121.8(8) ?
    C5B C4B H4B . . 119.1 ?
    C3B C4B H4B . . 119.1 ?
    C4B C5B C6B . . 119.2(8) ?
    C4B C5B H5B . . 120.4 ?
    C6B C5B H5B . . 120.4 ?
    C5B C6B C1B . . 120.0(8) ?
    C5B C6B H6B . . 120.0 ?
    C1B C6B H6B . . 120.0 ?
    C2B C7B H7D . . 109.5 ?
    C2B C7B H7E . . 109.5 ?
    H7D C7B H7E . . 109.5 ?
    C2B C7B H7F . . 109.5 ?
    H7D C7B H7F . . 109.5 ?
    H7E C7B H7F . . 109.5 ?
    C13 C8 C9 . . 119.0(3) ?
    C13 C8 P1 . . 120.4(2) ?
    C9 C8 P1 . . 120.6(2) ?
    C10 C9 C8 . . 117.2(3) ?
    C10 C9 C14 . . 119.6(3) ?
    C8 C9 C14 . . 123.2(3) ?
    C11 C10 C9 . . 122.3(4) ?
    C11 C10 H10 . . 118.8 ?
    C9 C10 H10 . . 118.8 ?
    C10 C11 C12 . . 120.5(3) ?
    C10 C11 H11 . . 119.7 ?
    C12 C11 H11 . . 119.7 ?
    C13 C12 C11 . . 118.9(4) ?
    C13 C12 H12 . . 120.5 ?
    C11 C12 H12 . . 120.5 ?
    C12 C13 C8 . . 122.0(3) ?
    C12 C13 H13 . . 119.0 ?
    C8 C13 H13 . . 119.0 ?
    C9 C14 H14A . . 109.5 ?
    C9 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    C9 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    P2 C15 P1 . . 93.95(13) ?
    P2 C15 H15A . . 112.9 ?
    P1 C15 H15A . . 112.9 ?
    P2 C15 H15B . . 112.9 ?
    P1 C15 H15B . . 112.9 ?
    H15A C15 H15B . . 110.4 ?
    C17 C16 C21 . . 119.9(3) ?
    C17 C16 P2 . . 118.4(2) ?
    C21 C16 P2 . . 121.6(2) ?
    C18 C17 C16 . . 119.8(3) ?
    C18 C17 H17 . . 120.1 ?
    C16 C17 H17 . . 120.1 ?
    C19 C18 C17 . . 120.1(3) ?
    C19 C18 H18 . . 120.0 ?
    C17 C18 H18 . . 120.0 ?
    C20 C19 C18 . . 120.5(3) ?
    C20 C19 H19 . . 119.8 ?
    C18 C19 H19 . . 119.8 ?
    C19 C20 C21 . . 120.3(3) ?
    C19 C20 H20 . . 119.8 ?
    C21 C20 H20 . . 119.8 ?
    C20 C21 C16 . . 119.3(3) ?
    C20 C21 H21 . . 120.3 ?
    C16 C21 H21 . . 120.3 ?
    C23 C22 C27 . . 119.1(3) ?
    C23 C22 P2 . . 119.4(2) ?
    C27 C22 P2 . . 121.5(2) ?
    C24 C23 C22 . . 120.1(3) ?
    C24 C23 H23 . . 119.9 ?
    C22 C23 H23 . . 119.9 ?
    C25 C24 C23 . . 120.4(3) ?
    C25 C24 H24 . . 119.8 ?
    C23 C24 H24 . . 119.8 ?
    C24 C25 C26 . . 120.0(3) ?
    C24 C25 H25 . . 120.0 ?
    C26 C25 H25 . . 120.0 ?
    C25 C26 C27 . . 120.6(4) ?
    C25 C26 H26 . . 119.7 ?
    C27 C26 H26 . . 119.7 ?
    C26 C27 C22 . . 119.7(3) ?
    C26 C27 H27 . . 120.1 ?
    C22 C27 H27 . . 120.1 ?
    P4 Pd2 P3 . . 73.37(3) ?
    P4 Pd2 Cl4 . . 92.83(4) ?
    P3 Pd2 Cl4 . . 165.80(4) ?
    P4 Pd2 Cl3 . . 173.13(3) ?
    P3 Pd2 Cl3 . . 101.03(3) ?
    Cl4 Pd2 Cl3 . . 92.96(4) ?
    C28 P3 C35 . . 113.40(14) ?
    C28 P3 C42 . . 108.57(15) ?
    C35 P3 C42 . . 107.34(13) ?
    C28 P3 Pd2 . . 114.39(10) ?
    C35 P3 Pd2 . . 116.74(11) ?
    C42 P3 Pd2 . . 94.05(10) ?
    C28 P3 P4 . . 111.16(10) ?
    C35 P3 P4 . . 133.25(10) ?
    Pd2 P3 P4 . . 52.53(2) ?
    C49 P4 C43 . . 110.86(16) ?
    C49 P4 C43B . . 104.9(7) ?
    C49 P4 C42 . . 109.60(14) ?
    C43 P4 C42 . . 106.10(13) ?
    C43B P4 C42 . . 113.6(6) ?
    C49 P4 Pd2 . . 114.51(11) ?
    C43 P4 Pd2 . . 118.15(10) ?
    C43B P4 Pd2 . . 118.2(3) ?
    C42 P4 Pd2 . . 95.94(10) ?
    C49 P4 P3 . . 112.43(10) ?
    C43 P4 P3 . . 133.92(13) ?
    C43B P4 P3 . . 141.2(7) ?
    Pd2 P4 P3 . . 54.10(2) ?
    C29 C28 C33 . . 118.6(3) ?
    C29 C28 P3 . . 120.7(3) ?
    C33 C28 P3 . . 120.7(3) ?
    C28 C29 C30 . . 117.4(3) ?
    C28 C29 C34 . . 123.7(3) ?
    C30 C29 C34 . . 118.8(3) ?
    C31 C30 C29 . . 121.1(4) ?
    C31 C30 H30 . . 119.4 ?
    C29 C30 H30 . . 119.4 ?
    C30 C31 C32 . . 121.5(4) ?
    C30 C31 H31 . . 119.2 ?
    C32 C31 H31 . . 119.2 ?
    C33 C32 C31 . . 118.8(4) ?
    C33 C32 H32 . . 120.6 ?
    C31 C32 H32 . . 120.6 ?
    C32 C33 C28 . . 122.6(4) ?
    C32 C33 H33 . . 118.7 ?
    C28 C33 H33 . . 118.7 ?
    C29 C34 H34A . . 109.5 ?
    C29 C34 H34B . . 109.5 ?
    H34A C34 H34B . . 109.5 ?
    C29 C34 H34C . . 109.5 ?
    H34A C34 H34C . . 109.5 ?
    H34B C34 H34C . . 109.5 ?
    C36 C35 C40 . . 120.0(3) ?
    C36 C35 P3 . . 125.0(3) ?
    C40 C35 P3 . . 115.0(2) ?
    C35 C36 C37 . . 117.3(3) ?
    C35 C36 C41 . . 125.4(3) ?
    C37 C36 C41 . . 117.2(3) ?
    C38 C37 C36 . . 120.5(3) ?
    C38 C37 H37 . . 119.7 ?
    C36 C37 H37 . . 119.7 ?
    C37 C38 C39 . . 122.4(4) ?
    C37 C38 H38 . . 118.8 ?
    C39 C38 H38 . . 118.8 ?
    C38 C39 C40 . . 118.6(4) ?
    C38 C39 H39 . . 120.7 ?
    C40 C39 H39 . . 120.7 ?
    C39 C40 C35 . . 121.0(3) ?
    C39 C40 H40 . . 119.5 ?
    C35 C40 H40 . . 119.5 ?
    C36 C41 H41A . . 109.5 ?
    C36 C41 H41B . . 109.5 ?
    H41A C41 H41B . . 109.5 ?
    C36 C41 H41C . . 109.5 ?
    H41A C41 H41C . . 109.5 ?
    H41B C41 H41C . . 109.5 ?
    P4 C42 P3 . . 92.73(14) ?
    P4 C42 H42A . . 113.2 ?
    P3 C42 H42A . . 113.2 ?
    P4 C42 H42B . . 113.2 ?
    P3 C42 H42B . . 113.2 ?
    H42A C42 H42B . . 110.5 ?
    C44 C43 C48 . . 119.8(3) ?
    C44 C43 P4 . . 121.9(3) ?
    C48 C43 P4 . . 118.3(3) ?
    C43 C44 C45 . . 120.1(4) ?
    C43 C44 H44 . . 120.0 ?
    C45 C44 H44 . . 120.0 ?
    C46 C45 C44 . . 119.5(4) ?
    C46 C45 H45 . . 120.2 ?
    C44 C45 H45 . . 120.2 ?
    C45 C46 C47 . . 121.0(4) ?
    C45 C46 H46 . . 119.5 ?
    C47 C46 H46 . . 119.5 ?
    C46 C47 C48 . . 120.3(4) ?
    C46 C47 H47 . . 119.9 ?
    C48 C47 H47 . . 119.9 ?
    C47 C48 C43 . . 119.3(4) ?
    C47 C48 H48 . . 120.3 ?
    C43 C48 H48 . . 120.3 ?
    C44B C43B C48B . . 119.4(10) ?
    C44B C43B P4 . . 120.5(12) ?
    C48B C43B P4 . . 120.1(13) ?
    C43B C44B C45B . . 120.3(11) ?
    C43B C44B H44B . . 119.9 ?
    C45B C44B H44B . . 119.9 ?
    C46B C45B C44B . . 120.0(11) ?
    C46B C45B H45B . . 120.0 ?
    C44B C45B H45B . . 120.0 ?
    C45B C46B C47B . . 120.4(12) ?
    C45B C46B H46B . . 119.8 ?
    C47B C46B H46B . . 119.8 ?
    C46B C47B C48B . . 120.8(12) ?
    C46B C47B H47B . . 119.6 ?
    C48B C47B H47B . . 119.6 ?
    C43B C48B C47B . . 119.3(11) ?
    C43B C48B H48B . . 120.4 ?
    C47B C48B H48B . . 120.4 ?
    C50 C49 C54 . . 120.0(3) ?
    C50 C49 P4 . . 119.1(3) ?
    C54 C49 P4 . . 120.8(3) ?
    C49 C50 C51 . . 119.6(3) ?
    C49 C50 H50 . . 120.2 ?
    C51 C50 H50 . . 120.2 ?
    C52 C51 C50 . . 119.8(4) ?
    C52 C51 H51 . . 120.1 ?
    C50 C51 H51 . . 120.1 ?
    C51 C52 C53 . . 121.2(3) ?
    C51 C52 H52 . . 119.4 ?
    C53 C52 H52 . . 119.4 ?
    C52 C53 C54 . . 119.9(3) ?
    C52 C53 H53 . . 120.1 ?
    C54 C53 H53 . . 120.1 ?
    C53 C54 C49 . . 119.5(3) ?
    C53 C54 H54 . . 120.3 ?
    C49 C54 H54 . . 120.3 ?
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
    C14 H14A Cl1 . 0.98 2.63 3.612(4) 178.9
    C34 H34A Cl3 . 0.98 2.66 3.637(4) 178.7
data_global
_journal_date_recd_electronic     2009-08-18
_journal_date_accepted     2009-09-10
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue     10
_journal_page_first     m1233
_journal_page_last     m1234
_journal_paper_category     QM
_journal_coeditor_code     EZ2183
_publ_contact_author
;
Quinetta D. Shelby
DePaul University
Department of Chemistry
1110 West Belden Avenue
Chicago, Illinois  60614
USA
;
_publ_contact_author_email     qshelby@depaul.edu
_publ_contact_author_fax     '1  773 325 7421'
_publ_contact_author_phone     '1  773 325 7402'
_publ_section_title
;\
Dichlorido{[(diphenylphosphino)methyl]bis(2-methylphenyl)phosphine-\
κ²P,P'}palladium(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Badgett, Ansonia H.'
;
DePaul University
Department of Chemistry
1110 West Belden Avenue
Chicago, Illinois  60614
USA
;
    'Gray, Danielle L.'
;
University of Illinois
School of Chemical Sciences, Box 59-1
505 South Mathews Avenue
Urbana, Illinois  61801
USA
;
    'Shelby, Quinetta D.'
;
DePaul University
Department of Chemistry
1110 West Belden Avenue
Chicago, Illinois  60614
USA
;
