#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:52:20 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178727 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/38/4083810.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_4083810
loop_
_publ_author_name
'Siutkowski, Magali'
'Mercier, François'
'Ricard, Louis'
'Mathey, François'
_publ_section_title
;
 C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric
 Catalysis
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2585
_journal_paper_doi               10.1021/om060118+
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C64 H70 Cl6 N2 P2 Pd2'
_chemical_formula_weight         1354.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   17.660(5)
_cell_length_b                   18.503(5)
_cell_length_c                   19.066(5)
_cell_measurement_reflns_used    251
_cell_measurement_temperature    150.0(10)
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      3.0
_cell_volume                     6230(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(10)
_diffrn_measured_fraction_theta_full 0.673
_diffrn_measured_fraction_theta_max 0.673
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega 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  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0637
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8497
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.58
_exptl_absorpt_coefficient_mu    0.926
_exptl_absorpt_correction_T_max  0.8659
_exptl_absorpt_correction_T_min  0.8364
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'needle '
_exptl_crystal_F_000             2768
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.920
_refine_diff_density_rms         0.108
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     695
_refine_ls_number_reflns         7242
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0601
_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)+(0.1012P)²+13.8886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1609
_refine_ls_wR_factor_ref         0.1694
_reflns_number_gt                6267
_reflns_number_total             7242
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060118%2Bsi20060206_015119.cif
_cod_data_source_block           pdenee
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P212121     '
_cod_database_code               4083810
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, 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
Pd1 Pd 1.02643(4) 1.16258(4) 0.94725(5) 0.0412(2) Uani 1 1 d .
Pd2 Pd 0.85540(4) 1.26364(3) 0.58897(5) 0.0414(2) Uani 1 1 d .
P1 P 1.08612(15) 1.19787(12) 0.84989(18) 0.0414(7) Uani 1 1 d .
P2 P 0.79497(15) 1.20531(11) 0.67401(18) 0.0421(7) Uani 1 1 d .
Cl1 Cl 1.14306(17) 1.11326(12) 0.98882(17) 0.0510(7) Uani 1 1 d .
Cl2 Cl 0.83643(17) 1.16275(12) 0.51191(19) 0.0581(8) Uani 1 1 d .
N1 N 0.9631(6) 1.1200(5) 1.0335(6) 0.056(3) Uani 1 1 d .
N2 N 0.9031(5) 1.3304(4) 0.5085(6) 0.053(3) Uani 1 1 d .
C1 C 1.1734(5) 1.1538(5) 0.8225(6) 0.040(3) Uani 1 1 d .
H1A H 1.2137 1.1569 0.8584 0.049 Uiso 1 1 calc R
H1B H 1.1654 1.1028 0.8085 0.049 Uiso 1 1 calc R
C2 C 1.1886(6) 1.2036(5) 0.7589(6) 0.040(3) Uani 1 1 d .
C3 C 1.1868(5) 1.2811(5) 0.7910(6) 0.038(3) Uani 1 1 d .
C4 C 1.1339(6) 1.2862(5) 0.8421(7) 0.043(3) Uani 1 1 d .
C5 C 1.1155(5) 1.1951(4) 0.7158(6) 0.033(3) Uani 1 1 d .
C6 C 1.0524(6) 1.1909(4) 0.7597(7) 0.043(3) Uani 1 1 d .
C7 C 0.9752(6) 1.1855(4) 0.7328(6) 0.040(3) Uani 1 1 d .
H7 H 0.9652 1.2033 0.6870 0.047 Uiso 1 1 calc R
C8 C 0.9174(5) 1.1567(4) 0.7695(6) 0.038(2) Uani 1 1 d .
H8 H 0.9277 1.1389 0.8152 0.045 Uiso 1 1 calc R
C9 C 0.8404(5) 1.1513(4) 0.7434(7) 0.042(3) Uani 1 1 d .
C10 C 0.7847(6) 1.1057(4) 0.7684(7) 0.046(3) Uani 1 1 d .
C11 C 0.7354(6) 1.1277(5) 0.6549(8) 0.054(3) Uani 1 1 d .
H11A H 0.6923 1.1400 0.6239 0.065 Uiso 1 1 calc R
H11B H 0.7642 1.0867 0.6351 0.065 Uiso 1 1 calc R
C12 C 0.7111(6) 1.1147(5) 0.7303(8) 0.054(4) Uani 1 1 d .
C13 C 0.6768(7) 1.1893(5) 0.7500(8) 0.053(3) Uani 1 1 d .
C14 C 0.7168(5) 1.2444(5) 0.7253(7) 0.049(3) Uani 1 1 d .
C15 C 1.2620(6) 1.1842(6) 0.7206(7) 0.051(3) Uani 1 1 d .
H15A H 1.2531 1.1425 0.6900 0.076 Uiso 1 1 calc R
H15B H 1.3012 1.1723 0.7550 0.076 Uiso 1 1 calc R
H15C H 1.2785 1.2255 0.6923 0.076 Uiso 1 1 calc R
C16 C 1.2395(6) 1.3380(6) 0.7668(7) 0.046(3) Uani 1 1 d .
H16A H 1.2309 1.3476 0.7169 0.069 Uiso 1 1 calc R
H16B H 1.2919 1.3219 0.7737 0.069 Uiso 1 1 calc R
H16C H 1.2308 1.3824 0.7937 0.069 Uiso 1 1 calc R
C17 C 0.6549(8) 1.0510(6) 0.7332(9) 0.070(4) Uani 1 1 d .
H17A H 0.6830 1.0053 0.7333 0.105 Uiso 1 1 calc R
H17B H 0.6216 1.0527 0.6921 0.105 Uiso 1 1 calc R
H17C H 0.6245 1.0545 0.7760 0.105 Uiso 1 1 calc R
C18 C 0.6073(8) 1.1927(7) 0.7953(12) 0.106(8) Uani 1 1 d .
H18A H 0.6223 1.1990 0.8444 0.159 Uiso 1 1 calc R
H18B H 0.5785 1.1477 0.7904 0.159 Uiso 1 1 calc R
H18C H 0.5757 1.2336 0.7807 0.159 Uiso 1 1 calc R
C19 C 1.1134(6) 1.3518(5) 0.8852(8) 0.050(4) Uani 1 1 d .
C20 C 1.1065(6) 1.4188(5) 0.8515(7) 0.046(3) Uani 1 1 d .
H20 H 1.1118 1.4229 0.8021 0.056 Uiso 1 1 calc R
C21 C 1.0917(7) 1.4784(6) 0.8923(10) 0.066(4) Uani 1 1 d .
H21 H 1.0890 1.5242 0.8699 0.079 Uiso 1 1 calc R
C22 C 1.0806(8) 1.4754(6) 0.9642(10) 0.067(4) Uani 1 1 d .
H22 H 1.0696 1.5175 0.9908 0.080 Uiso 1 1 calc R
C23 C 1.0861(7) 1.4079(6) 0.9955(8) 0.055(3) Uani 1 1 d .
H23 H 1.0794 1.4038 1.0448 0.066 Uiso 1 1 calc R
C24 C 1.1015(7) 1.3460(6) 0.9562(8) 0.052(3) Uani 1 1 d .
H24 H 1.1037 1.3001 0.9784 0.063 Uiso 1 1 calc R
C25 C 1.1145(6) 1.1898(4) 0.6398(7) 0.041(3) Uani 1 1 d .
C26 C 1.0749(7) 1.1352(5) 0.6046(9) 0.063(4) Uani 1 1 d .
H26 H 1.0461 1.1020 0.6316 0.076 Uiso 1 1 calc R
C27 C 1.0757(7) 1.1272(7) 0.5323(9) 0.069(4) Uani 1 1 d .
H27 H 1.0488 1.0888 0.5105 0.082 Uiso 1 1 calc R
C28 C 1.1159(7) 1.1754(7) 0.4931(9) 0.065(4) Uani 1 1 d .
H28 H 1.1166 1.1703 0.4435 0.078 Uiso 1 1 calc R
C29 C 1.1554(6) 1.2315(6) 0.5235(7) 0.045(3) Uani 1 1 d .
H29 H 1.1825 1.2651 0.4954 0.054 Uiso 1 1 calc R
C30 C 1.1547(5) 1.2375(5) 0.5937(8) 0.050(4) Uani 1 1 d .
H30 H 1.1827 1.2759 0.6142 0.060 Uiso 1 1 calc R
C31 C 0.7982(6) 1.0509(4) 0.8254(7) 0.045(3) Uani 1 1 d .
C32 C 0.8620(6) 1.0046(4) 0.8229(6) 0.043(3) Uani 1 1 d .
H32 H 0.8989 1.0106 0.7871 0.051 Uiso 1 1 calc R
C33 C 0.8705(6) 0.9513(4) 0.8721(7) 0.045(3) Uani 1 1 d .
H33 H 0.9127 0.9195 0.8697 0.055 Uiso 1 1 calc R
C34 C 0.8175(7) 0.9435(5) 0.9253(7) 0.053(3) Uani 1 1 d .
H34 H 0.8245 0.9071 0.9598 0.064 Uiso 1 1 calc R
C35 C 0.7567(7) 0.9866(5) 0.9287(7) 0.057(4) Uani 1 1 d .
H35 H 0.7206 0.9809 0.9652 0.069 Uiso 1 1 calc R
C36 C 0.7471(8) 1.0404(5) 0.8773(9) 0.069(4) Uani 1 1 d .
H36 H 0.7035 1.0703 0.8792 0.082 Uiso 1 1 calc R
C37 C 0.7019(7) 1.3214(5) 0.7382(9) 0.063(4) Uani 1 1 d .
C38 C 0.7086(7) 1.3695(5) 0.6791(8) 0.057(3) Uani 1 1 d .
H38 H 0.7205 1.3517 0.6337 0.068 Uiso 1 1 calc R
C39 C 0.6971(9) 1.4435(6) 0.6907(9) 0.071(4) Uani 1 1 d .
H39 H 0.7011 1.4760 0.6523 0.086 Uiso 1 1 calc R
C40 C 0.6805(9) 1.4696(6) 0.7549(10) 0.079(5) Uani 1 1 d .
H40 H 0.6738 1.5202 0.7607 0.095 Uiso 1 1 calc R
C41 C 0.6729(8) 1.4243(6) 0.8134(9) 0.070(4) Uani 1 1 d .
H41 H 0.6587 1.4430 0.8579 0.084 Uiso 1 1 calc R
C42 C 0.6872(8) 1.3497(6) 0.8039(8) 0.062(4) Uani 1 1 d .
H42 H 0.6866 1.3185 0.8435 0.074 Uiso 1 1 calc R
C43 C 0.9297(6) 1.2151(6) 0.9303(7) 0.050(3) Uani 1 1 d .
C44 C 0.9178(8) 1.2778(8) 0.8933(8) 0.070(4) Uani 1 1 d .
H44 H 0.9581 1.2982 0.8669 0.084 Uiso 1 1 calc R
C45 C 0.8492(9) 1.3112(9) 0.8939(9) 0.090(5) Uani 1 1 d .
H45 H 0.8420 1.3534 0.8663 0.108 Uiso 1 1 calc R
C46 C 0.7886(10) 1.2849(10) 0.9343(10) 0.096(6) Uani 1 1 d .
H46 H 0.7414 1.3095 0.9355 0.115 Uiso 1 1 calc R
C47 C 0.8001(9) 1.2198(12) 0.9738(10) 0.100(6) Uani 1 1 d .
H47 H 0.7600 1.2002 1.0011 0.120 Uiso 1 1 calc R
C48 C 0.8679(7) 1.1865(8) 0.9719(8) 0.065(4) Uani 1 1 d .
C49 C 0.8827(8) 1.1192(8) 1.0076(8) 0.064(4) Uani 1 1 d .
H49 H 0.8782 1.0795 0.9723 0.077 Uiso 1 1 calc R
C50 C 0.8219(9) 1.1029(8) 1.0698(9) 0.081(5) Uani 1 1 d .
H50A H 0.8204 1.1441 1.1021 0.121 Uiso 1 1 calc R
H50B H 0.8372 1.0594 1.0953 0.121 Uiso 1 1 calc R
H50C H 0.7716 1.0956 1.0493 0.121 Uiso 1 1 calc R
C51 C 0.9779(9) 1.1682(7) 1.0951(8) 0.070(4) Uani 1 1 d .
H51A H 0.9596 1.1448 1.1380 0.104 Uiso 1 1 calc R
H51B H 0.9514 1.2142 1.0885 0.104 Uiso 1 1 calc R
H51C H 1.0324 1.1771 1.0992 0.104 Uiso 1 1 calc R
C52 C 0.9859(8) 1.0461(5) 1.0526(8) 0.069(4) Uani 1 1 d .
H52A H 0.9515 1.0273 1.0886 0.103 Uiso 1 1 calc R
H52B H 1.0377 1.0466 1.0708 0.103 Uiso 1 1 calc R
H52C H 0.9835 1.0151 1.0110 0.103 Uiso 1 1 calc R
C53 C 0.8841(6) 1.3498(4) 0.6488(8) 0.049(3) Uani 1 1 d .
C54 C 0.8960(6) 1.3531(5) 0.7200(8) 0.051(4) Uani 1 1 d .
H54 H 0.8866 1.3119 0.7483 0.062 Uiso 1 1 calc R
C55 C 0.9219(6) 1.4167(5) 0.7505(7) 0.049(3) Uani 1 1 d .
H55 H 0.9292 1.4189 0.7998 0.059 Uiso 1 1 calc R
C56 C 0.9374(6) 1.4781(5) 0.7086(8) 0.051(4) Uani 1 1 d .
H56 H 0.9568 1.5209 0.7294 0.061 Uiso 1 1 calc R
C57 C 0.9241(6) 1.4753(4) 0.6364(7) 0.042(3) Uani 1 1 d .
H57 H 0.9329 1.5164 0.6076 0.050 Uiso 1 1 calc R
C58 C 0.8978(5) 1.4110(5) 0.6079(7) 0.042(3) Uani 1 1 d .
C59 C 0.8846(7) 1.4055(5) 0.5292(7) 0.050(3) Uani 1 1 d .
H59 H 0.9200 1.4392 0.5047 0.060 Uiso 1 1 calc R
C60 C 0.8013(6) 1.4267(6) 0.5101(8) 0.056(3) Uani 1 1 d .
H60A H 0.7960 1.4293 0.4590 0.084 Uiso 1 1 calc R
H60B H 0.7894 1.4739 0.5306 0.084 Uiso 1 1 calc R
H60C H 0.7665 1.3902 0.5287 0.084 Uiso 1 1 calc R
C61 C 0.8728(9) 1.3154(7) 0.4356(8) 0.073(4) Uani 1 1 d .
H61A H 0.8816 1.3576 0.4056 0.110 Uiso 1 1 calc R
H61B H 0.8183 1.3056 0.4383 0.110 Uiso 1 1 calc R
H61C H 0.8988 1.2733 0.4159 0.110 Uiso 1 1 calc R
C62 C 0.9849(6) 1.3206(5) 0.5108(9) 0.060(4) Uani 1 1 d .
H62A H 1.0085 1.3488 0.4732 0.089 Uiso 1 1 calc R
H62B H 0.9970 1.2693 0.5046 0.089 Uiso 1 1 calc R
H62C H 1.0043 1.3372 0.5562 0.089 Uiso 1 1 calc R
Cl5 Cl 1.4136(3) 1.1266(3) 0.8631(3) 0.1148(17) Uani 1 1 d .
C64 C 1.3774(16) 1.1251(10) 0.9506(13) 0.132(9) Uani 1 1 d .
H64A H 1.4098 1.1557 0.9809 0.159 Uiso 1 1 calc R
H64B H 1.3257 1.1459 0.9508 0.159 Uiso 1 1 calc R
Cl4 Cl 0.9569(5) 1.1865(3) 0.2977(4) 0.150(3) Uani 1 1 d .
C66 C 0.9238(13) 1.1131(9) 0.3429(14) 0.125(8) Uani 1 1 d .
H66A H 0.9045 1.1303 0.3887 0.150 Uiso 1 1 calc R
H66B H 0.8801 1.0932 0.3167 0.150 Uiso 1 1 calc R
Cl6 Cl 0.6255(3) 1.5399(2) 0.5162(3) 0.1115(17) Uani 1 1 d .
Cl3 Cl 1.0154(3) 1.5451(3) 1.1418(4) 0.1260(19) 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'
N N 0.0061 0.0033 '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
_geom_angle_site_symmetry_1
C43 Pd1 N1 81.8(5) .
C43 Pd1 P1 97.3(4) .
N1 Pd1 P1 173.7(3) .
C43 Pd1 Cl1 168.5(4) .
N1 Pd1 Cl1 93.1(3) .
P1 Pd1 Cl1 88.87(11) .
C53 Pd2 N2 81.4(5) .
C53 Pd2 P2 95.3(4) .
N2 Pd2 P2 172.7(3) .
C53 Pd2 Cl2 173.0(4) .
N2 Pd2 Cl2 93.7(3) .
P2 Pd2 Cl2 90.11(11) .
C1 P1 C6 88.5(5) .
C1 P1 C4 89.2(5) .
C6 P1 C4 97.8(5) .
C1 P1 Pd1 120.5(4) .
C6 P1 Pd1 127.5(3) .
C4 P1 Pd1 122.8(4) .
C11 P2 C14 89.0(5) .
C11 P2 C9 88.1(5) .
C14 P2 C9 99.1(5) .
C11 P2 Pd2 121.1(5) .
C14 P2 Pd2 123.9(3) .
C9 P2 Pd2 125.4(3) .
C52 N1 C51 108.2(11) .
C52 N1 C49 109.3(10) .
C51 N1 C49 115.3(11) .
C52 N1 Pd1 113.0(8) .
C51 N1 Pd1 107.0(7) .
C49 N1 Pd1 104.2(8) .
C62 N2 C59 109.1(8) .
C62 N2 C61 110.8(11) .
C59 N2 C61 109.8(9) .
C62 N2 Pd2 107.2(8) .
C59 N2 Pd2 105.2(7) .
C61 N2 Pd2 114.3(7) .
C2 C1 P1 96.0(6) .
C15 C2 C5 115.6(10) .
C15 C2 C1 112.4(8) .
C5 C2 C1 102.2(8) .
C15 C2 C3 114.8(8) .
C5 C2 C3 106.8(7) .
C1 C2 C3 103.7(9) .
C4 C3 C16 127.5(9) .
C4 C3 C2 111.1(8) .
C16 C3 C2 121.3(9) .
C3 C4 C19 127.8(9) .
C3 C4 P1 108.2(7) .
C19 C4 P1 124.0(9) .
C6 C5 C25 125.8(10) .
C6 C5 C2 110.8(11) .
C25 C5 C2 123.3(9) .
C5 C6 C7 122.6(12) .
C5 C6 P1 107.5(8) .
C7 C6 P1 129.9(9) .
C8 C7 C6 123.5(11) .
C7 C8 C9 124.0(11) .
C10 C9 C8 126.2(10) .
C10 C9 P2 105.6(8) .
C8 C9 P2 128.1(7) .
C9 C10 C12 112.5(10) .
C9 C10 C31 123.3(10) .
C12 C10 C31 124.2(9) .
C12 C11 P2 95.7(8) .
C10 C12 C11 103.4(9) .
C10 C12 C17 117.1(9) .
C11 C12 C17 109.8(11) .
C10 C12 C13 108.6(10) .
C11 C12 C13 101.4(9) .
C17 C12 C13 114.8(9) .
C14 C13 C18 127.4(10) .
C14 C13 C12 112.9(9) .
C18 C13 C12 119.6(9) .
C13 C14 C37 126.1(11) .
C13 C14 P2 106.6(7) .
C37 C14 P2 127.2(8) .
C24 C19 C20 120.4(10) .
C24 C19 C4 120.7(10) .
C20 C19 C4 118.9(13) .
C21 C20 C19 117.9(13) .
C20 C21 C22 123.6(12) .
C23 C22 C21 116.9(11) .
C22 C23 C24 121.4(14) .
C19 C24 C23 119.7(11) .
C26 C25 C30 113.4(13) .
C26 C25 C5 122.2(11) .
C30 C25 C5 124.4(10) .
C27 C26 C25 123.3(12) .
C28 C27 C26 118.7(13) .
C27 C28 C29 121.7(16) .
C30 C29 C28 118.5(12) .
C29 C30 C25 124.3(11) .
C36 C31 C32 117.9(10) .
C36 C31 C10 121.3(10) .
C32 C31 C10 120.6(10) .
C33 C32 C31 120.0(10) .
C32 C33 C34 120.1(10) .
C35 C34 C33 121.0(11) .
C34 C35 C36 118.9(12) .
C31 C36 C35 122.1(11) .
C42 C37 C38 119.4(10) .
C42 C37 C14 123.5(12) .
C38 C37 C14 117.0(13) .
C39 C38 C37 117.9(13) .
C40 C39 C38 121.7(13) .
C39 C40 C41 121.9(12) .
C40 C41 C42 117.7(14) .
C37 C42 C41 121.3(12) .
C44 C43 C48 118.4(11) .
C44 C43 Pd1 128.8(9) .
C48 C43 Pd1 112.2(9) .
C45 C44 C43 121.0(14) .
C44 C45 C46 121.8(14) .
C45 C46 C47 118.0(14) .
C48 C47 C46 119.7(15) .
C47 C48 C49 122.9(14) .
C47 C48 C43 121.0(14) .
C49 C48 C43 116.0(11) .
C48 C49 N1 108.5(11) .
C48 C49 C50 112.6(12) .
N1 C49 C50 112.7(12) .
C54 C53 C58 119.3(9) .
C54 C53 Pd2 129.0(7) .
C58 C53 Pd2 111.5(10) .
C53 C54 C55 120.1(11) .
C54 C55 C56 120.4(13) .
C57 C56 C55 119.6(10) .
C58 C57 C56 118.3(10) .
C57 C58 C53 122.3(11) .
C57 C58 C59 119.7(10) .
C53 C58 C59 118.0(9) .
N2 C59 C58 107.0(8) .
N2 C59 C60 112.4(9) .
C58 C59 C60 110.9(10) .
Cl6 C64 Cl5 111.9(12) 4_746
Cl3 C66 Cl4 117.6(14) 4_746
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C43 1.992(11) .
Pd1 N1 2.140(10) .
Pd1 P1 2.233(3) .
Pd1 Cl1 2.388(3) .
Pd2 C53 2.025(11) .
Pd2 N2 2.143(10) .
Pd2 P2 2.221(3) .
Pd2 Cl2 2.399(3) .
P1 C1 1.820(10) .
P1 C6 1.824(13) .
P1 C4 1.845(9) .
P2 C11 1.816(10) .
P2 C14 1.840(12) .
P2 C9 1.841(12) .
N1 C52 1.470(14) .
N1 C51 1.498(17) .
N1 C49 1.504(18) .
N2 C62 1.457(14) .
N2 C59 1.480(13) .
N2 C61 1.513(18) .
C1 C2 1.546(16) .
C2 C15 1.531(15) .
C2 C5 1.538(15) .
C2 C3 1.558(13) .
C3 C4 1.354(16) .
C3 C16 1.480(13) .
C4 C19 1.509(15) .
C5 C6 1.396(15) .
C5 C25 1.452(17) .
C6 C7 1.459(15) .
C7 C8 1.347(15) .
C8 C9 1.453(14) .
C9 C10 1.381(13) .
C10 C12 1.498(18) .
C10 C31 1.505(16) .
C11 C12 1.52(2) .
C12 C17 1.541(14) .
C12 C13 1.555(13) .
C13 C14 1.326(14) .
C13 C18 1.503(19) .
C14 C37 1.469(13) .
C19 C24 1.374(18) .
C19 C20 1.401(15) .
C20 C21 1.374(17) .
C21 C22 1.39(2) .
C22 C23 1.386(17) .
C23 C24 1.397(16) .
C25 C26 1.400(15) .
C25 C30 1.434(15) .
C26 C27 1.39(2) .
C27 C28 1.364(19) .
C28 C29 1.378(17) .
C29 C30 1.344(17) .
C31 C36 1.354(18) .
C31 C32 1.416(13) .
C32 C33 1.369(15) .
C33 C34 1.388(17) .
C34 C35 1.339(17) .
C35 C36 1.407(18) .
C37 C42 1.38(2) .
C37 C38 1.441(19) .
C38 C39 1.400(14) .
C39 C40 1.35(2) .
C40 C41 1.40(2) .
C41 C42 1.413(16) .
C43 C44 1.374(18) .
C43 C48 1.450(18) .
C44 C45 1.359(18) .
C45 C46 1.41(2) .
C46 C47 1.43(3) .
C47 C48 1.35(2) .
C48 C49 1.443(19) .
C49 C50 1.627(18) .
C53 C54 1.374(19) .
C53 C58 1.396(15) .
C54 C55 1.389(13) .
C55 C56 1.417(16) .
C56 C57 1.396(18) .
C57 C58 1.389(13) .
C58 C59 1.522(18) .
C59 C60 1.565(16) .
Cl5 C64 1.79(3) .
C64 Cl6 1.70(2) 4_746
Cl4 C66 1.71(2) .
C66 Cl3 1.679(19) 4_746
Cl6 C64 1.70(2) 4_756
Cl3 C66 1.680(19) 4_756
