#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:40:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179198 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/36/4313634.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_4313634
loop_
_publ_author_name
'Douglas B. Grotjahn'
'Sang Van'
'David Combs'
'Daniel A. Lev'
'Christian Schneider'
'Christopher D. Incarvito'
'Kim-Chung Lam'
'Gene Rossi'
'Arnold L. Rheingold'
'Marc Rideout'
'Christoph Meyer'
'Genaro Hernandez'
'Lupe Mejorado'
_publ_contact_author             A.Rheingold
_publ_contact_author_email       arnrhein@udel.edu
_publ_section_title
;
 Substituent Control of Hydrogen Bonding in Palladium(II)-Pyrazole
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3347
_journal_page_last               3355
_journal_paper_doi               10.1021/ic026104n
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C21 H25 Cl2 N2 P Pd'
_chemical_formula_weight         513.70
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 117.2380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.6515(14)
_cell_length_b                   9.7465(6)
_cell_length_c                   23.3093(15)
_cell_measurement_temperature    153(2)
_cell_volume                     4373.4(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'CCD area detector'
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            49800
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    1.175
_exptl_absorpt_correction_T_max  0.7990
_exptl_absorpt_correction_T_min  0.5912
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         10495
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0337P)²+4.4083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0894
_reflns_number_gt                8613
_reflns_number_total             10495
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic026104nsi20021012_032757_6.cif
_cod_data_source_block           27d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4313634
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'
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
C1 C 0.28330(16) 0.6487(3) 0.17693(15) 0.0245(7) Uani 1 1 d . . .
C2 C 0.31564(16) 0.5329(3) 0.16937(15) 0.0254(7) Uani 1 1 d . . .
H2A H 0.2954 0.4647 0.1369 0.031 Uiso 1 1 calc R . .
C3 C 0.38373(16) 0.5355(3) 0.21861(15) 0.0245(7) Uani 1 1 d . . .
C4 C 0.43910(16) 0.4312(3) 0.23186(16) 0.0261(7) Uani 1 1 d . . .
H4A H 0.4271 0.3782 0.1919 0.031 Uiso 1 1 calc R . .
H4B H 0.4398 0.3665 0.2649 0.031 Uiso 1 1 calc R . .
C5 C 0.51185(16) 0.4911(3) 0.25527(15) 0.0244(7) Uani 1 1 d . . .
H5A H 0.5104 0.5642 0.2252 0.029 Uiso 1 1 calc R . .
H5B H 0.5435 0.4183 0.2549 0.029 Uiso 1 1 calc R . .
C6 C 0.21083(17) 0.7036(4) 0.13670(16) 0.0281(7) Uani 1 1 d . . .
C7 C 0.18836(19) 0.7952(5) 0.17737(19) 0.0438(10) Uani 1 1 d . . .
H7A H 0.1878 0.7412 0.2126 0.066 Uiso 1 1 calc R . .
H7B H 0.1417 0.8315 0.1501 0.066 Uiso 1 1 calc R . .
H7C H 0.2212 0.8715 0.1954 0.066 Uiso 1 1 calc R . .
C8 C 0.21160(19) 0.7880(4) 0.08115(17) 0.0349(8) Uani 1 1 d . . .
H8A H 0.2436 0.8656 0.0989 0.052 Uiso 1 1 calc R . .
H8B H 0.1647 0.8223 0.0533 0.052 Uiso 1 1 calc R . .
H8C H 0.2270 0.7297 0.0559 0.052 Uiso 1 1 calc R . .
C9 C 0.16051(18) 0.5828(4) 0.10923(19) 0.0407(9) Uani 1 1 d . . .
H9A H 0.1600 0.5298 0.1447 0.061 Uiso 1 1 calc R . .
H9B H 0.1757 0.5237 0.0840 0.061 Uiso 1 1 calc R . .
H9C H 0.1137 0.6175 0.0813 0.061 Uiso 1 1 calc R . .
C10 C 0.54923(16) 0.4162(3) 0.38600(15) 0.0225(6) Uani 1 1 d . . .
C11 C 0.58192(18) 0.2948(4) 0.38294(17) 0.0313(8) Uani 1 1 d . . .
H11A H 0.6075 0.2921 0.3590 0.038 Uiso 1 1 calc R . .
C12 C 0.57708(19) 0.1785(4) 0.41482(18) 0.0361(8) Uani 1 1 d . . .
H12A H 0.5988 0.0957 0.4121 0.043 Uiso 1 1 calc R . .
C13 C 0.54064(19) 0.1825(4) 0.45067(17) 0.0354(8) Uani 1 1 d . . .
H13A H 0.5370 0.1021 0.4720 0.042 Uiso 1 1 calc R . .
C14 C 0.50970(18) 0.3026(4) 0.45548(17) 0.0332(8) Uani 1 1 d . . .
H14A H 0.4857 0.3054 0.4809 0.040 Uiso 1 1 calc R . .
C15 C 0.51353(17) 0.4202(4) 0.42311(16) 0.0267(7) Uani 1 1 d . . .
H15A H 0.4920 0.5028 0.4263 0.032 Uiso 1 1 calc R . .
C16 C 0.63531(16) 0.6058(3) 0.35719(16) 0.0231(6) Uani 1 1 d . . .
C17 C 0.65756(17) 0.6201(3) 0.30964(17) 0.0267(7) Uani 1 1 d . . .
H17A H 0.6260 0.6059 0.2655 0.032 Uiso 1 1 calc R . .
C18 C 0.72647(18) 0.6552(4) 0.32779(19) 0.0329(8) Uani 1 1 d . . .
H18A H 0.7418 0.6634 0.2957 0.040 Uiso 1 1 calc R . .
C19 C 0.77263(18) 0.6780(4) 0.39148(19) 0.0345(8) Uani 1 1 d . . .
H19A H 0.8191 0.7042 0.4030 0.041 Uiso 1 1 calc R . .
C20 C 0.75099(17) 0.6625(4) 0.43891(17) 0.0324(8) Uani 1 1 d . . .
H20A H 0.7829 0.6769 0.4830 0.039 Uiso 1 1 calc R . .
C21 C 0.68278(17) 0.6261(4) 0.42169(16) 0.0290(7) Uani 1 1 d . . .
H21A H 0.6683 0.6148 0.4542 0.035 Uiso 1 1 calc R . .
C22 C 0.21011(16) 0.4979(3) 0.32343(15) 0.0242(7) Uani 1 1 d . . .
C23 C 0.17528(17) 0.6116(4) 0.32931(15) 0.0264(7) Uani 1 1 d . . .
H23A H 0.1936 0.6802 0.3618 0.032 Uiso 1 1 calc R . .
C24 C 0.10840(16) 0.6061(3) 0.27866(15) 0.0229(6) Uani 1 1 d . . .
C25 C 0.05121(16) 0.7076(3) 0.26327(16) 0.0265(7) Uani 1 1 d . . .
H25A H 0.0516 0.7740 0.2313 0.032 Uiso 1 1 calc R . .
H25B H 0.0605 0.7593 0.3030 0.032 Uiso 1 1 calc R . .
C26 C -0.02130(16) 0.6434(3) 0.23650(15) 0.0237(7) Uani 1 1 d . . .
H26A H -0.0547 0.7141 0.2354 0.028 Uiso 1 1 calc R . .
H26B H -0.0205 0.5694 0.2659 0.028 Uiso 1 1 calc R . .
C27 C 0.28256(16) 0.4443(4) 0.36493(16) 0.0281(7) Uani 1 1 d . . .
C28 C 0.3285(2) 0.5575(5) 0.4071(3) 0.0680(16) Uani 1 1 d . . .
H28A H 0.3324 0.6302 0.3800 0.102 Uiso 1 1 calc R . .
H28B H 0.3747 0.5205 0.4353 0.102 Uiso 1 1 calc R . .
H28C H 0.3081 0.5953 0.4336 0.102 Uiso 1 1 calc R . .
C29 C 0.3124(2) 0.3818(7) 0.3231(2) 0.0755(19) Uani 1 1 d . . .
H29A H 0.3166 0.4530 0.2954 0.113 Uiso 1 1 calc R . .
H29B H 0.2815 0.3090 0.2962 0.113 Uiso 1 1 calc R . .
H29C H 0.3584 0.3432 0.3507 0.113 Uiso 1 1 calc R . .
C30 C 0.2768(2) 0.3306(5) 0.4075(2) 0.0523(12) Uani 1 1 d . . .
H30A H 0.2578 0.3686 0.4350 0.078 Uiso 1 1 calc R . .
H30B H 0.3230 0.2921 0.4346 0.078 Uiso 1 1 calc R . .
H30C H 0.2460 0.2582 0.3802 0.078 Uiso 1 1 calc R . .
C31 C -0.14132(15) 0.5264(3) 0.13019(15) 0.0219(6) Uani 1 1 d . . .
C32 C -0.18691(17) 0.5221(4) 0.06464(17) 0.0300(7) Uani 1 1 d . . .
H32A H -0.1704 0.5417 0.0341 0.036 Uiso 1 1 calc R . .
C33 C -0.25630(18) 0.4895(4) 0.04343(19) 0.0380(9) Uani 1 1 d . . .
H33A H -0.2873 0.4874 -0.0014 0.046 Uiso 1 1 calc R . .
C34 C -0.28040(18) 0.4596(4) 0.0883(2) 0.0377(9) Uani 1 1 d . . .
H34A H -0.3277 0.4354 0.0740 0.045 Uiso 1 1 calc R . .
C35 C -0.23577(18) 0.4654(4) 0.15310(19) 0.0361(9) Uani 1 1 d . . .
H35A H -0.2527 0.4465 0.1834 0.043 Uiso 1 1 calc R . .
C36 C -0.16580(17) 0.4986(3) 0.17510(17) 0.0279(7) Uani 1 1 d . . .
H36A H -0.1352 0.5022 0.2200 0.033 Uiso 1 1 calc R . .
C37 C -0.05493(15) 0.7174(3) 0.10545(15) 0.0204(6) Uani 1 1 d . . .
C38 C -0.03666(16) 0.7008(3) 0.05586(15) 0.0242(7) Uani 1 1 d . . .
H38A H -0.0217 0.6139 0.0486 0.029 Uiso 1 1 calc R . .
C39 C -0.04035(17) 0.8119(4) 0.01689(17) 0.0297(7) Uani 1 1 d . . .
H39A H -0.0289 0.8002 -0.0176 0.036 Uiso 1 1 calc R . .
C40 C -0.06070(18) 0.9398(4) 0.02827(18) 0.0321(8) Uani 1 1 d . . .
H40A H -0.0621 1.0161 0.0023 0.038 Uiso 1 1 calc R . .
C41 C -0.07895(19) 0.9561(4) 0.07769(19) 0.0347(8) Uani 1 1 d . . .
H41A H -0.0931 1.0437 0.0853 0.042 Uiso 1 1 calc R . .
C42 C -0.07678(17) 0.8466(3) 0.11591(17) 0.0279(7) Uani 1 1 d . . .
H42A H -0.0900 0.8584 0.1492 0.034 Uiso 1 1 calc R . .
Cl1 Cl 0.56177(4) 0.80407(8) 0.43217(4) 0.02676(17) Uani 1 1 d . . .
Cl2 Cl 0.39857(4) 0.89952(9) 0.34233(4) 0.02798(17) Uani 1 1 d . . .
Cl3 Cl -0.06144(4) 0.32812(8) 0.06530(4) 0.02752(17) Uani 1 1 d . . .
Cl4 Cl 0.10014(4) 0.22896(8) 0.16375(4) 0.02553(17) Uani 1 1 d . . .
N1 N 0.39383(13) 0.6479(3) 0.25519(12) 0.0226(6) Uani 1 1 d . . .
N2 N 0.33159(13) 0.7152(3) 0.22846(13) 0.0245(6) Uani 1 1 d . . .
H2B H 0.3240 0.7931 0.2433 0.029 Uiso 1 1 calc R . .
N3 N 0.10111(13) 0.4939(3) 0.24263(12) 0.0218(5) Uani 1 1 d . . .
N4 N 0.16385(13) 0.4296(3) 0.27115(12) 0.0236(6) Uani 1 1 d . . .
H4C H 0.1731 0.3524 0.2571 0.028 Uiso 1 1 calc R . .
P1 P 0.54599(4) 0.56206(8) 0.33632(4) 0.01973(16) Uani 1 1 d . . .
P2 P -0.05084(4) 0.57328(8) 0.15614(4) 0.01817(16) Uani 1 1 d . . .
Pd1 Pd 0.473494(12) 0.72370(2) 0.338529(11) 0.01832(6) Uani 1 1 d . . .
Pd2 Pd 0.024001(11) 0.41228(2) 0.159243(11) 0.01709(6) 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
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 C2 106.0(3) . . ?
N2 C1 C6 123.1(3) . . ?
C2 C1 C6 130.8(3) . . ?
C1 C2 C3 106.7(3) . . ?
N1 C3 C2 109.9(3) . . ?
N1 C3 C4 122.8(3) . . ?
C2 C3 C4 127.2(3) . . ?
C3 C4 C5 114.4(3) . . ?
C4 C5 P1 112.2(2) . . ?
C1 C6 C7 110.8(3) . . ?
C1 C6 C9 109.0(3) . . ?
C7 C6 C9 109.9(3) . . ?
C1 C6 C8 107.6(3) . . ?
C7 C6 C8 109.7(3) . . ?
C9 C6 C8 109.8(3) . . ?
C11 C10 C15 119.4(3) . . ?
C11 C10 P1 120.2(3) . . ?
C15 C10 P1 120.1(2) . . ?
C12 C11 C10 120.1(3) . . ?
C11 C12 C13 120.2(3) . . ?
C14 C13 C12 120.3(3) . . ?
C13 C14 C15 120.2(3) . . ?
C14 C15 C10 119.8(3) . . ?
C21 C16 C17 119.2(3) . . ?
C21 C16 P1 119.4(2) . . ?
C17 C16 P1 121.3(3) . . ?
C18 C17 C16 119.4(3) . . ?
C19 C18 C17 121.0(3) . . ?
C18 C19 C20 119.8(3) . . ?
C21 C20 C19 119.9(3) . . ?
C20 C21 C16 120.7(3) . . ?
N4 C22 C23 105.8(3) . . ?
N4 C22 C27 122.2(3) . . ?
C23 C22 C27 131.9(3) . . ?
C22 C23 C24 106.8(3) . . ?
N3 C24 C23 109.9(3) . . ?
N3 C24 C25 122.8(3) . . ?
C23 C24 C25 127.3(3) . . ?
C24 C25 C26 114.2(3) . . ?
C25 C26 P2 112.7(2) . . ?
C28 C27 C22 110.2(3) . . ?
C28 C27 C29 111.4(4) . . ?
C22 C27 C29 110.4(3) . . ?
C28 C27 C30 109.4(3) . . ?
C22 C27 C30 107.3(3) . . ?
C29 C27 C30 108.1(4) . . ?
C32 C31 C36 119.7(3) . . ?
C32 C31 P2 119.1(2) . . ?
C36 C31 P2 121.2(2) . . ?
C33 C32 C31 120.5(3) . . ?
C32 C33 C34 119.7(3) . . ?
C35 C34 C33 120.0(3) . . ?
C34 C35 C36 120.9(3) . . ?
C35 C36 C31 119.3(3) . . ?
C38 C37 C42 119.6(3) . . ?
C38 C37 P2 120.3(2) . . ?
C42 C37 P2 120.1(2) . . ?
C37 C38 C39 119.9(3) . . ?
C40 C39 C38 120.2(3) . . ?
C41 C40 C39 119.8(3) . . ?
C42 C41 C40 120.7(3) . . ?
C41 C42 C37 119.8(3) . . ?
C3 N1 N2 105.2(2) . . ?
C3 N1 Pd1 135.7(2) . . ?
N2 N1 Pd1 119.0(2) . . ?
C1 N2 N1 112.2(3) . . ?
C24 N3 N4 105.3(2) . . ?
C24 N3 Pd2 135.9(2) . . ?
N4 N3 Pd2 118.7(2) . . ?
C22 N4 N3 112.2(3) . . ?
C10 P1 C16 106.72(14) . . ?
C10 P1 C5 104.08(15) . . ?
C16 P1 C5 104.12(15) . . ?
C10 P1 Pd1 111.04(11) . . ?
C16 P1 Pd1 120.00(11) . . ?
C5 P1 Pd1 109.56(11) . . ?
C37 P2 C26 105.68(15) . . ?
C37 P2 C31 104.68(14) . . ?
C26 P2 C31 104.74(14) . . ?
C37 P2 Pd2 112.59(10) . . ?
C26 P2 Pd2 108.89(11) . . ?
C31 P2 Pd2 119.21(10) . . ?
N1 Pd1 P1 91.11(7) . . ?
N1 Pd1 Cl1 178.84(8) . . ?
P1 Pd1 Cl1 88.54(3) . . ?
N1 Pd1 Cl2 90.14(7) . . ?
P1 Pd1 Cl2 178.62(3) . . ?
Cl1 Pd1 Cl2 90.23(3) . . ?
N3 Pd2 P2 91.27(7) . . ?
N3 Pd2 Cl3 178.22(8) . . ?
P2 Pd2 Cl3 87.93(3) . . ?
N3 Pd2 Cl4 90.13(7) . . ?
P2 Pd2 Cl4 176.48(3) . . ?
Cl3 Pd2 Cl4 90.76(3) . . ?
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
C1 N2 1.344(4) . ?
C1 C2 1.382(5) . ?
C1 C6 1.510(4) . ?
C2 C3 1.394(4) . ?
C3 N1 1.344(4) . ?
C3 C4 1.492(4) . ?
C4 C5 1.527(4) . ?
C5 P1 1.821(3) . ?
C6 C7 1.534(5) . ?
C6 C9 1.532(5) . ?
C6 C8 1.540(5) . ?
C10 C11 1.397(4) . ?
C10 C15 1.400(4) . ?
C10 P1 1.815(3) . ?
C11 C12 1.386(5) . ?
C12 C13 1.388(5) . ?
C13 C14 1.379(5) . ?
C14 C15 1.395(5) . ?
C16 C21 1.393(4) . ?
C16 C17 1.403(4) . ?
C16 P1 1.816(3) . ?
C17 C18 1.394(5) . ?
C18 C19 1.376(5) . ?
C19 C20 1.392(5) . ?
C20 C21 1.388(4) . ?
C22 N4 1.347(4) . ?
C22 C23 1.382(5) . ?
C22 C27 1.510(4) . ?
C23 C24 1.389(4) . ?
C24 N3 1.344(4) . ?
C24 C25 1.495(4) . ?
C25 C26 1.533(4) . ?
C26 P2 1.813(3) . ?
C27 C28 1.509(5) . ?
C27 C29 1.522(5) . ?
C27 C30 1.530(5) . ?
C31 C32 1.389(4) . ?
C31 C36 1.400(4) . ?
C31 P2 1.824(3) . ?
C32 C33 1.387(5) . ?
C33 C34 1.397(5) . ?
C34 C35 1.371(5) . ?
C35 C36 1.397(5) . ?
C37 C38 1.392(4) . ?
C37 C42 1.405(4) . ?
C37 P2 1.811(3) . ?
C38 C39 1.392(4) . ?
C39 C40 1.388(5) . ?
C40 C41 1.387(5) . ?
C41 C42 1.377(5) . ?
Cl1 Pd1 2.2831(8) . ?
Cl2 Pd1 2.3891(8) . ?
Cl3 Pd2 2.2764(8) . ?
Cl4 Pd2 2.4005(8) . ?
N1 N2 1.366(3) . ?
N1 Pd1 2.056(3) . ?
N3 N4 1.361(3) . ?
N3 Pd2 2.056(3) . ?
P1 Pd1 2.2411(8) . ?
P2 Pd2 2.2330(8) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2B Cl2 0.88 2.37 2.975(3) 126.5 .
N4 H4C Cl4 0.88 2.35 2.972(3) 127.7 .
