#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:44:06 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178579 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/89/4068960.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_4068960
loop_
_publ_author_name
'Hajdók, Imre'
'Lissner, Falk'
'Nieger, Martin'
'Strobel, Sabine'
'Gudat, Dietrich'
_publ_section_title
;
 Diphosphination of Electron Poor Alkenes
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1644
_journal_paper_doi               10.1021/om801179k
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C39.4 H43 Cl4.8 N3 O2 P2 Pd'
_chemical_formula_weight         927.00
_chemical_name_common            'C38 H43 Cl2 N3 O2 P2 Pd, 1.4 CH2Cl2'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 124.4580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.8659(7)
_cell_length_b                   15.3565(4)
_cell_length_c                   20.4915(4)
_cell_measurement_reflns_used    204283
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      1.02
_cell_volume                     8268.1(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1237
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            78598
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         3.60
_exptl_absorpt_coefficient_mu    0.871
_exptl_absorpt_correction_T_max  0.9278
_exptl_absorpt_correction_T_min  0.7815
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'HABITUS, W. Herrendorf, Univ. Giessen, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             3784
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.846
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       0.00004(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         10258
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0556
_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)+(0.0281P)²+52.3894P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1138
_reflns_number_gt                8329
_reflns_number_total             10258
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801179k_si_001.cif
_cod_data_source_block           c:\crystal\x-red\ihnov07
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4068960
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Pd Pd 0.274026(10) 0.545743(17) 0.752742(15) 0.01272(8) Uani 1 1 d .
P1 P 0.29654(3) 0.63091(6) 0.69145(5) 0.01347(18) Uani 1 1 d .
P2 P 0.26416(3) 0.66309(6) 0.80700(5) 0.01306(18) Uani 1 1 d .
Cl1 Cl 0.28976(3) 0.42357(6) 0.69895(5) 0.01902(18) Uani 1 1 d .
Cl2 Cl 0.23668(3) 0.46189(6) 0.80341(5) 0.01918(18) Uani 1 1 d .
O1 O 0.34436(13) 0.82005(19) 0.6814(2) 0.0339(7) Uani 1 1 d .
O2 O 0.35802(11) 0.8068(2) 0.91479(16) 0.0283(6) Uani 1 1 d .
N1 N 0.35355(11) 0.6198(2) 0.70710(17) 0.0162(6) Uani 1 1 d .
N2 N 0.26526(11) 0.6215(2) 0.59328(17) 0.0152(6) Uani 1 1 d .
N3 N 0.36288(11) 0.8208(2) 0.8079(2) 0.0203(7) Uani 1 1 d .
C1 C 0.35040(13) 0.6255(2) 0.6358(2) 0.0162(7) Uani 1 1 d .
C2 C 0.38966(14) 0.6342(2) 0.6258(2) 0.0186(7) Uani 1 1 d .
H2 H 0.4253(16) 0.638(3) 0.670(3) 0.021(11) Uiso 1 1 d .
C3 C 0.37758(15) 0.6382(3) 0.5491(2) 0.0214(8) Uani 1 1 d .
H3 H 0.4032(17) 0.639(3) 0.535(3) 0.031(12) Uiso 1 1 d .
C4 C 0.32781(14) 0.6331(3) 0.4845(2) 0.0201(7) Uani 1 1 d .
H4 H 0.3212(15) 0.633(3) 0.433(2) 0.017(10) Uiso 1 1 d .
C5 C 0.28771(14) 0.6257(2) 0.4941(2) 0.0177(7) Uani 1 1 d .
H5 H 0.2495(14) 0.621(3) 0.445(2) 0.012(9) Uiso 1 1 d .
C6 C 0.29929(13) 0.6234(2) 0.5698(2) 0.0151(7) Uani 1 1 d .
C7 C 0.21042(13) 0.6417(3) 0.5370(2) 0.0169(7) Uani 1 1 d .
H7A H 0.2069(13) 0.675(2) 0.494(2) 0.004(8) Uiso 1 1 d .
H7B H 0.2006(16) 0.681(3) 0.567(3) 0.023(11) Uiso 1 1 d .
C8 C 0.17208(14) 0.5659(3) 0.5011(2) 0.0201(8) Uani 1 1 d .
C9 C 0.1879(2) 0.4976(3) 0.4649(3) 0.0358(11) Uani 1 1 d .
H9A H 0.165(2) 0.448(4) 0.447(3) 0.055(17) Uiso 1 1 d .
H9B H 0.1884(19) 0.521(4) 0.420(3) 0.043(15) Uiso 1 1 d .
H9C H 0.221(2) 0.471(4) 0.504(4) 0.057(18) Uiso 1 1 d .
C10 C 0.12130(16) 0.6073(3) 0.4371(3) 0.0311(10) Uani 1 1 d .
H10A H 0.0975(17) 0.560(3) 0.415(3) 0.025(11) Uiso 1 1 d .
H10B H 0.1226(17) 0.636(3) 0.400(3) 0.033(13) Uiso 1 1 d .
H10C H 0.112(2) 0.658(4) 0.465(3) 0.058(17) Uiso 1 1 d .
C11 C 0.16552(16) 0.5234(3) 0.5623(2) 0.0254(9) Uani 1 1 d .
H11A H 0.1948(17) 0.489(3) 0.597(3) 0.020(11) Uiso 1 1 d .
H11B H 0.1573(18) 0.559(4) 0.586(3) 0.036(14) Uiso 1 1 d .
H11C H 0.1375(19) 0.478(3) 0.540(3) 0.039(14) Uiso 1 1 d .
C12 C 0.40266(14) 0.6285(3) 0.7849(2) 0.0202(7) Uani 1 1 d .
H12A H 0.4248(17) 0.668(3) 0.780(3) 0.026(11) Uiso 1 1 d .
H12B H 0.3970(14) 0.658(3) 0.822(2) 0.011(9) Uiso 1 1 d .
C13 C 0.43346(14) 0.5444(3) 0.8255(2) 0.0222(8) Uani 1 1 d .
C14 C 0.41463(17) 0.5014(3) 0.8721(3) 0.0274(9) Uani 1 1 d .
H14A H 0.4160(19) 0.544(4) 0.907(3) 0.040(14) Uiso 1 1 d .
H14B H 0.3786(18) 0.486(3) 0.839(3) 0.030(12) Uiso 1 1 d .
H14C H 0.4365(18) 0.448(3) 0.903(3) 0.034(13) Uiso 1 1 d .
C15 C 0.48878(16) 0.5734(3) 0.8837(3) 0.0310(10) Uani 1 1 d .
H15A H 0.5136(19) 0.519(4) 0.915(3) 0.044(14) Uiso 1 1 d .
H15B H 0.4909(16) 0.617(3) 0.918(3) 0.022(11) Uiso 1 1 d .
H15C H 0.5022(19) 0.605(4) 0.856(3) 0.042(14) Uiso 1 1 d .
C16 C 0.42997(19) 0.4791(3) 0.7667(3) 0.0302(10) Uani 1 1 d .
H16A H 0.396(2) 0.460(4) 0.729(3) 0.046(15) Uiso 1 1 d .
H16B H 0.4452(16) 0.433(3) 0.793(3) 0.019(11) Uiso 1 1 d .
H16C H 0.4447(18) 0.505(3) 0.740(3) 0.034(13) Uiso 1 1 d .
C17 C 0.19725(13) 0.6850(2) 0.7633(2) 0.0169(7) Uani 1 1 d .
C18 C 0.16849(14) 0.7340(3) 0.6942(2) 0.0218(8) Uani 1 1 d .
H18 H 0.1824(14) 0.766(3) 0.669(2) 0.015(10) Uiso 1 1 d .
C19 C 0.11752(16) 0.7496(3) 0.6618(3) 0.0311(10) Uani 1 1 d .
H19 H 0.1002(17) 0.782(3) 0.620(3) 0.025(12) Uiso 1 1 d .
C20 C 0.09505(16) 0.7173(3) 0.6980(3) 0.0352(11) Uani 1 1 d .
H20 H 0.060(2) 0.730(4) 0.672(3) 0.047(15) Uiso 1 1 d .
C21 C 0.12352(16) 0.6672(3) 0.7666(3) 0.0319(10) Uani 1 1 d .
H21 H 0.109(2) 0.643(4) 0.797(3) 0.060(17) Uiso 1 1 d .
C22 C 0.17447(15) 0.6510(3) 0.7992(2) 0.0237(8) Uani 1 1 d .
H22 H 0.1938(17) 0.618(3) 0.846(3) 0.027(12) Uiso 1 1 d .
C23 C 0.29380(13) 0.6618(2) 0.9127(2) 0.0165(7) Uani 1 1 d .
C24 C 0.28708(15) 0.7338(3) 0.9476(2) 0.0224(8) Uani 1 1 d .
H24 H 0.2687(17) 0.787(3) 0.917(3) 0.031(12) Uiso 1 1 d .
C25 C 0.30867(16) 0.7332(3) 1.0286(2) 0.0253(8) Uani 1 1 d .
H25 H 0.3038(17) 0.786(3) 1.051(3) 0.030(12) Uiso 1 1 d .
C26 C 0.33549(17) 0.6617(3) 1.0737(3) 0.0298(9) Uani 1 1 d .
H26 H 0.3452(17) 0.658(3) 1.128(3) 0.031(12) Uiso 1 1 d .
C27 C 0.34290(18) 0.5911(3) 1.0395(2) 0.0296(9) Uani 1 1 d .
H27 H 0.3633(16) 0.538(3) 1.067(3) 0.023(11) Uiso 1 1 d .
C28 C 0.32253(15) 0.5918(3) 0.9586(2) 0.0228(8) Uani 1 1 d .
H28 H 0.3250(17) 0.535(3) 0.928(3) 0.033(13) Uiso 1 1 d .
C29 C 0.28845(14) 0.7491(2) 0.7104(2) 0.0159(7) Uani 1 1 d .
H29 H 0.2585(16) 0.771(3) 0.662(3) 0.023(11) Uiso 1 1 d .
C30 C 0.28674(13) 0.7610(2) 0.7828(2) 0.0144(7) Uani 1 1 d .
H30 H 0.2682(18) 0.804(3) 0.778(3) 0.033(13) Uiso 1 1 d .
C31 C 0.33913(13) 0.7963(2) 0.8457(2) 0.0180(7) Uani 1 1 d .
C32 C 0.33366(15) 0.8014(2) 0.7276(2) 0.0213(8) Uani 1 1 d .
C33 C 0.41039(15) 0.8673(3) 0.8481(3) 0.0298(9) Uani 1 1 d .
C34 C 0.41138(19) 0.9501(4) 0.8254(5) 0.064(2) Uani 1 1 d .
H34 H 0.378(2) 0.972(4) 0.777(3) 0.052(16) Uiso 1 1 d .
C35 C 0.4578(2) 0.9945(4) 0.8668(6) 0.102(4) Uani 1 1 d .
H35 H 0.4593(19) 1.046(4) 0.845(3) 0.041(14) Uiso 1 1 d .
C36 C 0.5010(2) 0.9550(4) 0.9281(6) 0.082(3) Uani 1 1 d .
H36 H 0.534(3) 0.986(5) 0.965(4) 0.09(2) Uiso 1 1 d .
C37 C 0.49965(17) 0.8722(3) 0.9510(4) 0.0439(13) Uani 1 1 d .
H37 H 0.526(2) 0.846(4) 0.990(3) 0.046(16) Uiso 1 1 d .
C38 C 0.45336(16) 0.8270(3) 0.9100(3) 0.0296(9) Uani 1 1 d .
H38 H 0.4513(16) 0.770(3) 0.924(3) 0.023(11) Uiso 1 1 d .
C39 C 0.4364(2) 0.7525(6) 1.0813(3) 0.079(3) Uani 1 1 d .
C40 C 0.4798(4) 0.8732(8) 0.7663(6) 0.030(2) Uani 0.40 1 d P
Cl3 Cl 0.46723(5) 0.67502(9) 1.06119(8) 0.0481(3) Uani 1 1 d .
Cl4A Cl 0.45466(8) 0.84330(15) 1.11506(14) 0.0350(5) Uani 0.50 1 d P
Cl4B Cl 0.47292(9) 0.7879(2) 1.18243(14) 0.0491(7) Uani 0.50 1 d P
Cl5 Cl 0.49643(12) 0.7983(2) 0.77013(19) 0.0411(7) Uani 0.40 1 d P
Cl6 Cl 0.48748(11) 0.98115(19) 0.7485(2) 0.0365(7) Uani 0.40 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
P1 Pd P2 89.30(3) . .
P1 Pd Cl2 170.94(3) . .
P2 Pd Cl2 88.46(3) . .
P1 Pd Cl1 88.96(3) . .
P2 Pd Cl1 176.52(3) . .
Cl2 Pd Cl1 93.72(3) . .
N1 P1 N2 93.76(14) . .
N1 P1 C29 108.49(16) . .
N2 P1 C29 105.69(16) . .
N1 P1 Pd 120.18(11) . .
N2 P1 Pd 118.14(11) . .
C29 P1 Pd 109.01(11) . .
C23 P2 C17 105.33(16) . .
C23 P2 C30 108.11(16) . .
C17 P2 C30 104.07(17) . .
C23 P2 Pd 117.55(13) . .
C17 P2 Pd 111.18(12) . .
C30 P2 Pd 109.68(11) . .
C1 N1 C12 121.6(3) . .
C1 N1 P1 111.3(2) . .
C12 N1 P1 124.9(2) . .
C6 N2 C7 121.6(3) . .
C6 N2 P1 111.0(2) . .
C7 N2 P1 123.7(2) . .
C32 N3 C31 112.7(3) . .
C32 N3 C33 124.6(3) . .
C31 N3 C33 122.5(3) . .
C2 C1 N1 128.3(3) . .
C2 C1 C6 120.7(3) . .
N1 C1 C6 111.1(3) . .
C1 C2 C3 118.4(3) . .
C1 C2 H2 123(2) . .
C3 C2 H2 119(2) . .
C4 C3 C2 121.0(3) . .
C4 C3 H3 114(3) . .
C2 C3 H3 125(3) . .
C3 C4 C5 121.0(3) . .
C3 C4 H4 119(2) . .
C5 C4 H4 120(2) . .
C6 C5 C4 118.4(3) . .
C6 C5 H5 120(2) . .
C4 C5 H5 121(2) . .
C5 C6 C1 120.5(3) . .
C5 C6 N2 128.0(3) . .
C1 C6 N2 111.4(3) . .
N2 C7 C8 118.7(3) . .
N2 C7 H7A 107(2) . .
C8 C7 H7A 108(2) . .
N2 C7 H7B 106(2) . .
C8 C7 H7B 107(2) . .
H7A C7 H7B 109(3) . .
C9 C8 C10 110.5(4) . .
C9 C8 C11 110.0(4) . .
C10 C8 C11 108.1(3) . .
C9 C8 C7 111.2(3) . .
C10 C8 C7 105.3(3) . .
C11 C8 C7 111.7(3) . .
C8 C9 H9A 110(3) . .
C8 C9 H9B 113(3) . .
H9A C9 H9B 109(5) . .
C8 C9 H9C 112(4) . .
H9A C9 H9C 102(5) . .
H9B C9 H9C 110(4) . .
C8 C10 H10A 105(3) . .
C8 C10 H10B 113(3) . .
H10A C10 H10B 112(4) . .
C8 C10 H10C 108(3) . .
H10A C10 H10C 115(4) . .
H10B C10 H10C 104(4) . .
C8 C11 H11A 109(3) . .
C8 C11 H11B 114(3) . .
H11A C11 H11B 115(4) . .
C8 C11 H11C 115(3) . .
H11A C11 H11C 101(4) . .
H11B C11 H11C 103(4) . .
N1 C12 C13 117.8(3) . .
N1 C12 H12A 109(3) . .
C13 C12 H12A 107(3) . .
N1 C12 H12B 109(2) . .
C13 C12 H12B 108(2) . .
H12A C12 H12B 105(3) . .
C16 C13 C15 110.1(4) . .
C16 C13 C14 109.3(4) . .
C15 C13 C14 108.8(3) . .
C16 C13 C12 112.6(3) . .
C15 C13 C12 106.0(3) . .
C14 C13 C12 109.9(3) . .
C13 C14 H14A 108(3) . .
C13 C14 H14B 113(3) . .
H14A C14 H14B 103(4) . .
C13 C14 H14C 111(3) . .
H14A C14 H14C 111(4) . .
H14B C14 H14C 111(4) . .
C13 C15 H15A 112(3) . .
C13 C15 H15B 111(3) . .
H15A C15 H15B 113(4) . .
C13 C15 H15C 112(3) . .
H15A C15 H15C 108(4) . .
H15B C15 H15C 102(4) . .
C13 C16 H16A 113(3) . .
C13 C16 H16B 106(3) . .
H16A C16 H16B 104(4) . .
C13 C16 H16C 109(3) . .
H16A C16 H16C 110(4) . .
H16B C16 H16C 114(4) . .
C18 C17 C22 119.9(3) . .
C18 C17 P2 120.9(3) . .
C22 C17 P2 119.1(3) . .
C19 C18 C17 119.9(4) . .
C19 C18 H18 115(2) . .
C17 C18 H18 125(2) . .
C20 C19 C18 120.3(4) . .
C20 C19 H19 120(3) . .
C18 C19 H19 120(3) . .
C19 C20 C21 120.0(4) . .
C19 C20 H20 115(3) . .
C21 C20 H20 125(3) . .
C22 C21 C20 120.1(4) . .
C22 C21 H21 117(3) . .
C20 C21 H21 123(3) . .
C21 C22 C17 119.7(4) . .
C21 C22 H22 120(3) . .
C17 C22 H22 121(3) . .
C28 C23 C24 120.1(3) . .
C28 C23 P2 121.4(3) . .
C24 C23 P2 118.5(3) . .
C25 C24 C23 119.4(4) . .
C25 C24 H24 118(3) . .
C23 C24 H24 122(3) . .
C26 C25 C24 120.4(4) . .
C26 C25 H25 123(3) . .
C24 C25 H25 117(3) . .
C25 C26 C27 120.3(4) . .
C25 C26 H26 119(3) . .
C27 C26 H26 120(3) . .
C26 C27 C28 119.8(4) . .
C26 C27 H27 127(3) . .
C28 C27 H27 113(3) . .
C23 C28 C27 119.9(4) . .
C23 C28 H28 118(2) . .
C27 C28 H28 122(3) . .
C32 C29 C30 105.3(3) . .
C32 C29 P1 109.6(2) . .
C30 C29 P1 113.3(2) . .
C32 C29 H29 108(3) . .
C30 C29 H29 114(3) . .
P1 C29 H29 107(3) . .
C31 C30 C29 103.9(3) . .
C31 C30 P2 118.1(3) . .
C29 C30 P2 113.3(2) . .
C31 C30 H30 100(3) . .
C29 C30 H30 113(3) . .
P2 C30 H30 108(3) . .
O2 C31 N3 123.4(3) . .
O2 C31 C30 128.8(3) . .
N3 C31 C30 107.7(3) . .
O1 C32 N3 125.5(4) . .
O1 C32 C29 126.8(4) . .
N3 C32 C29 107.7(3) . .
C34 C33 C38 122.0(4) . .
C34 C33 N3 119.2(4) . .
C38 C33 N3 118.7(4) . .
C33 C34 C35 118.0(6) . .
C33 C34 H34 115(3) . .
C35 C34 H34 126(3) . .
C36 C35 C34 120.6(6) . .
C36 C35 H35 122(3) . .
C34 C35 H35 117(3) . .
C37 C36 C35 121.1(5) . .
C37 C36 H36 114(4) . .
C35 C36 H36 124(4) . .
C36 C37 C38 118.9(5) . .
C36 C37 H37 123(4) . .
C38 C37 H37 118(4) . .
C33 C38 C37 119.4(5) . .
C33 C38 H38 120(3) . .
C37 C38 H38 121(3) . .
Cl4A C39 Cl3 128.0(5) . .
Cl4A C39 Cl4B 50.5(2) . .
Cl3 C39 Cl4B 113.4(3) . .
Cl5 C40 Cl6 141.6(8) . .
Cl5 C40 C40 69.4(5) . 2_656
Cl6 C40 C40 72.6(4) . 2_656
Cl5 C40 Cl5 32.4(3) . 2_656
Cl6 C40 Cl5 112.8(6) . 2_656
C40 C40 Cl5 41.7(4) 2_656 2_656
Cl5 C40 Cl6 121.0(7) . 2_656
Cl6 C40 Cl6 20.99(19) . 2_656
C40 C40 Cl6 53.5(3) 2_656 2_656
Cl5 C40 Cl6 95.1(5) 2_656 2_656
Cl4B Cl4A C39 74.7(3) . .
Cl4A Cl4B C39 54.8(3) . .
Cl4A Cl4B Cl4B 141.42(16) . 2_657
C39 Cl4B Cl4B 161.9(3) . 2_657
Cl5 Cl5 C40 103.9(5) 2_656 .
Cl5 Cl5 C40 43.6(4) 2_656 2_656
C40 Cl5 C40 68.9(8) . 2_656
Cl6 Cl6 C40 104.3(4) 2_656 .
Cl6 Cl6 C40 54.7(3) 2_656 2_656
C40 Cl6 C40 53.9(6) . 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd P1 2.1960(9) .
Pd P2 2.2311(9) .
Pd Cl2 2.3559(9) .
Pd Cl1 2.3690(9) .
P1 N1 1.665(3) .
P1 N2 1.671(3) .
P1 C29 1.903(4) .
P2 C23 1.807(4) .
P2 C17 1.817(4) .
P2 C30 1.851(4) .
O1 C32 1.207(5) .
O2 C31 1.196(5) .
N1 C1 1.410(4) .
N1 C12 1.478(5) .
N2 C6 1.414(4) .
N2 C7 1.483(4) .
N3 C32 1.388(5) .
N3 C31 1.406(5) .
N3 C33 1.438(5) .
C1 C2 1.384(5) .
C1 C6 1.411(5) .
C2 C3 1.393(5) .
C2 H2 0.98(4) .
C3 C4 1.378(5) .
C3 H3 1.00(5) .
C4 C5 1.403(5) .
C4 H4 0.95(4) .
C5 C6 1.377(5) .
C5 H5 1.06(4) .
C7 C8 1.540(5) .
C7 H7A 0.96(4) .
C7 H7B 1.02(4) .
C8 C9 1.525(6) .
C8 C10 1.530(6) .
C8 C11 1.531(5) .
C9 H9A 0.97(6) .
C9 H9B 0.99(5) .
C9 H9C 0.97(6) .
C10 H10A 0.96(5) .
C10 H10B 0.91(5) .
C10 H10C 1.09(6) .
C11 H11A 0.95(5) .
C11 H11B 0.86(5) .
C11 H11C 1.02(5) .
C12 C13 1.548(5) .
C12 H12A 0.98(5) .
C12 H12B 0.99(4) .
C13 C16 1.523(6) .
C13 C15 1.533(5) .
C13 C14 1.536(6) .
C14 H14A 0.95(5) .
C14 H14B 0.98(5) .
C14 H14C 1.03(5) .
C15 H15A 1.08(5) .
C15 H15B 0.94(5) .
C15 H15C 1.00(5) .
C16 H16A 0.94(6) .
C16 H16B 0.85(5) .
C16 H16C 0.98(5) .
C17 C18 1.394(5) .
C17 C22 1.394(5) .
C18 C19 1.384(5) .
C18 H18 0.98(4) .
C19 C20 1.383(7) .
C19 H19 0.87(5) .
C20 C21 1.395(7) .
C20 H20 0.94(5) .
C21 C22 1.384(6) .
C21 H21 1.04(6) .
C22 H22 0.95(5) .
C23 C28 1.380(5) .
C23 C24 1.398(5) .
C24 C25 1.392(5) .
C24 H24 1.00(5) .
C25 C26 1.376(6) .
C25 H25 0.99(5) .
C26 C27 1.382(6) .
C26 H26 0.97(5) .
C27 C28 1.398(5) .
C27 H27 0.99(5) .
C28 H28 1.10(5) .
C29 C32 1.507(5) .
C29 C30 1.527(5) .
C29 H29 0.97(4) .
C30 C31 1.519(5) .
C30 H30 0.85(5) .
C33 C34 1.361(7) .
C33 C38 1.379(6) .
C34 C35 1.397(7) .
C34 H34 1.01(6) .
C35 C36 1.372(10) .
C35 H35 0.93(6) .
C36 C37 1.364(8) .
C36 H36 1.00(7) .
C37 C38 1.400(6) .
C37 H37 0.87(6) .
C38 H38 0.94(5) .
C39 Cl4A 1.519(9) .
C39 Cl3 1.735(6) .
C39 Cl4B 1.793(6) .
C40 Cl5 1.250(12) .
C40 Cl6 1.744(12) .
C40 C40 1.75(2) 2_656
C40 Cl5 1.758(11) 2_656
C40 Cl6 2.069(11) 2_656
Cl4A Cl4B 1.435(4) .
Cl4B Cl4B 2.289(5) 2_657
Cl5 Cl5 0.972(6) 2_656
Cl5 C40 1.758(11) 2_656
Cl6 Cl6 0.765(5) 2_656
Cl6 C40 2.069(11) 2_656
