#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:48:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180356 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/25/7202598.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_7202598
loop_
_publ_author_name
'Smith, Martin B.'
'Dale, Sophie H.'
'Coles, Simon J.'
'Gelbrich, Thomas'
'Hursthouse, Michael B.'
'Light, Mark E.'
'Horton, Peter N.'
_publ_section_title
;
 Hydrogen bonded supramolecular assemblies based on neutral
 square-planar palladium(ii) complexes
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              165
_journal_paper_doi               10.1039/b616337h
_journal_volume                  9
_journal_year                    2007
_chemical_formula_moiety         'C34 H33 Cl2 N O4 P2 Pd'
_chemical_formula_sum            'C34 H33 Cl2 N O4 P2 Pd'
_chemical_formula_weight         758.85
_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                107.154(1)
_cell_angle_beta                 98.373(1)
_cell_angle_gamma                108.360(1)
_cell_formula_units_Z            2
_cell_length_a                   10.8750(1)
_cell_length_b                   11.4418(1)
_cell_length_c                   14.8044(2)
_cell_measurement_reflns_used    6947
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     1611.74(4)
_computing_cell_refinement       'DENZO & COLLECT'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO & COLLECT'
_computing_molecular_graphics    'Bruker SHELXTL and local programs'
_computing_publication_material  Diamond
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0446
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28221
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.13
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  0.9656
_exptl_absorpt_correction_T_min  0.8164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV Blessing (1997)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.995
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         7359
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0208P)²+1.6227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                6605
_reflns_number_total             7359
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b616337h.txt
_cod_data_source_block           2a.MeOH
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1611.75(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7202598
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.7317(2) 0.9860(2) 0.65854(14) 0.0142(4) Uani 1 1 d . . .
C2 C 0.6046(2) 0.8856(2) 0.62690(17) 0.0215(5) Uani 1 1 d . . .
H2 H 0.5685 0.8486 0.6714 0.026 Uiso 1 1 calc R . .
C3 C 0.5307(2) 0.8396(2) 0.52977(18) 0.0298(6) Uani 1 1 d . . .
H3 H 0.4442 0.7710 0.5082 0.036 Uiso 1 1 calc R . .
C4 C 0.5818(3) 0.8927(3) 0.46480(17) 0.0297(6) Uani 1 1 d . . .
H4 H 0.5316 0.8593 0.3983 0.036 Uiso 1 1 calc R . .
C5 C 0.7061(2) 0.9944(3) 0.49603(16) 0.0262(5) Uani 1 1 d . . .
H5 H 0.7403 1.0324 0.4514 0.031 Uiso 1 1 calc R . .
C6 C 0.7814(2) 1.0415(2) 0.59261(16) 0.0193(4) Uani 1 1 d . . .
H6 H 0.8669 1.1116 0.6138 0.023 Uiso 1 1 calc R . .
C7 C 0.80282(19) 1.17771(19) 0.85844(14) 0.0127(4) Uani 1 1 d . . .
C8 C 0.6782(2) 1.1870(2) 0.83264(16) 0.0183(4) Uani 1 1 d . . .
H8 H 0.6134 1.1245 0.7738 0.022 Uiso 1 1 calc R . .
C9 C 0.6496(2) 1.2878(2) 0.89327(18) 0.0254(5) Uani 1 1 d . . .
H9 H 0.5651 1.2943 0.8758 0.030 Uiso 1 1 calc R . .
C10 C 0.7438(2) 1.3789(2) 0.97913(18) 0.0245(5) Uani 1 1 d . . .
H10 H 0.7243 1.4484 1.0198 0.029 Uiso 1 1 calc R . .
C11 C 0.8671(2) 1.3688(2) 1.00591(16) 0.0215(5) Uani 1 1 d . . .
H11 H 0.9310 1.4305 1.0654 0.026 Uiso 1 1 calc R . .
C12 C 0.8968(2) 1.2685(2) 0.94564(15) 0.0168(4) Uani 1 1 d . . .
H12 H 0.9811 1.2618 0.9638 0.020 Uiso 1 1 calc R . .
C13 C 0.96769(19) 0.77785(19) 0.61931(14) 0.0124(4) Uani 1 1 d . . .
C14 C 0.9310(2) 0.6402(2) 0.58697(15) 0.0160(4) Uani 1 1 d . . .
H14 H 0.9410 0.5986 0.6329 0.019 Uiso 1 1 calc R . .
C15 C 0.8798(2) 0.5653(2) 0.48744(16) 0.0190(4) Uani 1 1 d . . .
H15 H 0.8548 0.4721 0.4653 0.023 Uiso 1 1 calc R . .
C16 C 0.8651(2) 0.6258(2) 0.42019(16) 0.0197(4) Uani 1 1 d . . .
H16 H 0.8308 0.5739 0.3522 0.024 Uiso 1 1 calc R . .
C17 C 0.9000(2) 0.7608(2) 0.45159(15) 0.0195(4) Uani 1 1 d . . .
H17 H 0.8885 0.8016 0.4053 0.023 Uiso 1 1 calc R . .
C18 C 0.9521(2) 0.8373(2) 0.55096(15) 0.0161(4) Uani 1 1 d . . .
H18 H 0.9770 0.9304 0.5723 0.019 Uiso 1 1 calc R . .
C19 C 1.17980(19) 0.85286(19) 0.79614(15) 0.0128(4) Uani 1 1 d . . .
C20 C 1.2352(2) 0.7749(2) 0.73757(17) 0.0203(5) Uani 1 1 d . . .
H20 H 1.1994 0.7381 0.6684 0.024 Uiso 1 1 calc R . .
C21 C 1.3431(2) 0.7511(2) 0.78059(19) 0.0254(5) Uani 1 1 d . . .
H21 H 1.3802 0.6972 0.7408 0.031 Uiso 1 1 calc R . .
C22 C 1.3963(2) 0.8058(2) 0.88131(18) 0.0251(5) Uani 1 1 d . . .
H22 H 1.4691 0.7887 0.9106 0.030 Uiso 1 1 calc R . .
C23 C 1.3432(2) 0.8856(2) 0.93914(17) 0.0216(5) Uani 1 1 d . . .
H23 H 1.3802 0.9235 1.0081 0.026 Uiso 1 1 calc R . .
C24 C 1.2366(2) 0.9104(2) 0.89712(15) 0.0165(4) Uani 1 1 d . . .
H24 H 1.2019 0.9668 0.9372 0.020 Uiso 1 1 calc R . .
C25 C 0.67055(19) 0.67254(19) 0.77402(15) 0.0128(4) Uani 1 1 d . . .
C26 C 0.5980(2) 0.5883(2) 0.67715(15) 0.0147(4) Uani 1 1 d . . .
C27 C 0.4868(2) 0.4738(2) 0.65757(16) 0.0183(4) Uani 1 1 d . . .
H27 H 0.4385 0.4182 0.5918 0.022 Uiso 1 1 calc R . .
C28 C 0.4471(2) 0.4417(2) 0.73467(16) 0.0185(4) Uani 1 1 d . . .
H28 H 0.3713 0.3637 0.7217 0.022 Uiso 1 1 calc R . .
C29 C 0.5170(2) 0.5223(2) 0.83060(16) 0.0180(4) Uani 1 1 d . . .
H29 H 0.4884 0.4992 0.8828 0.022 Uiso 1 1 calc R . .
C30 C 0.62965(19) 0.63803(19) 0.85172(15) 0.0135(4) Uani 1 1 d . . .
C31 C 0.7022(2) 0.7194(2) 0.95678(15) 0.0153(4) Uani 1 1 d . . .
C32 C 0.77120(19) 0.91605(19) 0.83275(14) 0.0120(4) Uani 1 1 d . . .
H32A H 0.8206 0.9487 0.9026 0.014 Uiso 1 1 calc R . .
H32B H 0.6758 0.9017 0.8299 0.014 Uiso 1 1 calc R . .
C33 C 0.91475(19) 0.78772(19) 0.80778(14) 0.0118(4) Uani 1 1 d . . .
H33A H 0.9082 0.6949 0.7875 0.014 Uiso 1 1 calc R . .
H33B H 0.9518 0.8291 0.8798 0.014 Uiso 1 1 calc R . .
N1 N 0.78014(16) 0.78958(16) 0.78170(12) 0.0109(3) Uani 1 1 d . . .
O1 O 0.63478(15) 0.61585(15) 0.59953(10) 0.0210(3) Uani 1 1 d . . .
H1 H 0.7038 0.6856 0.6199 0.031 Uiso 1 1 calc R . .
O2 O 0.81362(14) 0.80487(14) 0.98620(10) 0.0166(3) Uani 1 1 d . . .
O3 O 0.62897(16) 0.68778(18) 1.01725(12) 0.0314(4) Uani 1 1 d . . .
H3A H 0.6740 0.7328 1.0756 0.047 Uiso 1 1 calc R . .
P1 P 0.83927(5) 1.04354(5) 0.78153(4) 0.01011(10) Uani 1 1 d . . .
P2 P 1.02971(5) 0.87640(5) 0.74882(4) 0.00985(10) Uani 1 1 d . . .
Cl1 Cl 1.09027(5) 1.30984(5) 0.79785(4) 0.01580(11) Uani 1 1 d . . .
Cl2 Cl 1.27548(5) 1.12727(5) 0.76031(4) 0.01589(11) Uani 1 1 d . . .
Pd1 Pd 1.054906(14) 1.088060(13) 0.777075(10) 0.00946(5) Uani 1 1 d . . .
C41 C 0.7936(3) 1.3786(3) 0.6756(3) 0.0606(10) Uani 1 1 d . . .
H41A H 0.7467 1.3301 0.7130 0.091 Uiso 1 1 calc R . .
H41B H 0.8074 1.3169 0.6200 0.091 Uiso 1 1 calc R . .
H41C H 0.7394 1.4226 0.6514 0.091 Uiso 1 1 calc R . .
O41 O 0.9175(2) 1.47301(18) 0.73590(14) 0.0388(5) Uani 1 1 d . . .
H41 H 0.9646 1.4352 0.7557 0.058 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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
C2 C1 C6 119.22(19) . . ?
C2 C1 P1 122.49(16) . . ?
C6 C1 P1 118.23(16) . . ?
C1 C2 H2 120.1 . . ?
C1 C2 C3 119.8(2) . . ?
H2 C2 C3 120.1 . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.6(2) . . ?
H3 C3 C4 119.7 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.1(2) . . ?
H4 C4 C5 120.0 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(2) . . ?
H5 C5 C6 119.9 . . ?
C1 C6 C5 120.1(2) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C8 C7 C12 119.83(18) . . ?
C8 C7 P1 120.11(15) . . ?
C12 C7 P1 120.01(15) . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C9 119.8(2) . . ?
H8 C8 C9 120.1 . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.3(2) . . ?
H9 C9 C10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.2(2) . . ?
H10 C10 C11 119.9 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(2) . . ?
H11 C11 C12 120.0 . . ?
C7 C12 C11 119.9(2) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 C18 119.44(18) . . ?
C14 C13 P2 120.22(15) . . ?
C18 C13 P2 120.31(15) . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.6(2) . . ?
H14 C14 C15 120.2 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.4(2) . . ?
H15 C15 C16 119.8 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.29(19) . . ?
H16 C16 C17 119.9 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.1(2) . . ?
H17 C17 C18 120.0 . . ?
C13 C18 C17 120.2(2) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C24 119.41(19) . . ?
C20 C19 P2 123.25(16) . . ?
C24 C19 P2 117.23(15) . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 119.9(2) . . ?
H20 C20 C21 120.0 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(2) . . ?
H21 C21 C22 119.9 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 119.9(2) . . ?
H22 C22 C23 120.0 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.4(2) . . ?
H23 C23 C24 119.8 . . ?
C19 C24 C23 120.2(2) . . ?
C19 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C26 C25 C30 118.67(18) . . ?
C26 C25 N1 114.33(17) . . ?
C30 C25 N1 126.99(18) . . ?
C25 C26 C27 121.27(19) . . ?
C25 C26 O1 120.98(18) . . ?
C27 C26 O1 117.76(18) . . ?
C26 C27 H27 120.3 . . ?
C26 C27 C28 119.42(19) . . ?
H27 C27 C28 120.3 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.6(2) . . ?
H28 C28 C29 119.7 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.8(2) . . ?
H29 C29 C30 119.6 . . ?
C25 C30 C29 119.29(19) . . ?
C25 C30 C31 122.56(18) . . ?
C29 C30 C31 118.15(18) . . ?
C30 C31 O2 125.62(18) . . ?
C30 C31 O3 112.01(17) . . ?
O2 C31 O3 122.36(19) . . ?
H32A C32 H32B 107.7 . . ?
H32A C32 N1 108.8 . . ?
H32A C32 P1 108.8 . . ?
H32B C32 N1 108.8 . . ?
H32B C32 P1 108.8 . . ?
N1 C32 P1 113.64(13) . . ?
H33A C33 H33B 107.9 . . ?
H33A C33 N1 109.2 . . ?
H33A C33 P2 109.2 . . ?
H33B C33 N1 109.2 . . ?
H33B C33 P2 109.2 . . ?
N1 C33 P2 111.87(13) . . ?
C25 N1 C32 116.05(15) . . ?
C25 N1 C33 115.32(15) . . ?
C32 N1 C33 113.77(15) . . ?
C26 O1 H1 109.5 . . ?
C31 O3 H3A 109.5 . . ?
C1 P1 C7 107.66(9) . . ?
C1 P1 C32 106.48(9) . . ?
C1 P1 Pd1 110.19(7) . . ?
C7 P1 C32 100.24(9) . . ?
C7 P1 Pd1 116.54(7) . . ?
C32 P1 Pd1 114.83(6) . . ?
C13 P2 C19 108.00(9) . . ?
C13 P2 C33 105.53(9) . . ?
C13 P2 Pd1 111.31(7) . . ?
C19 P2 C33 99.33(9) . . ?
C19 P2 Pd1 115.08(7) . . ?
C33 P2 Pd1 116.50(7) . . ?
P1 Pd1 P2 91.586(18) . . ?
P1 Pd1 Cl1 91.507(18) . . ?
P1 Pd1 Cl2 175.974(18) . . ?
P2 Pd1 Cl1 175.772(18) . . ?
P2 Pd1 Cl2 87.378(18) . . ?
Cl1 Pd1 Cl2 89.339(18) . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41A C41 O41 109.5 . . ?
H41B C41 H41C 109.5 . . ?
H41B C41 O41 109.5 . . ?
H41C C41 O41 109.5 . . ?
C41 O41 H41 109.5 . . ?
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 C2 1.394(3) . ?
C1 C6 1.397(3) . ?
C1 P1 1.818(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.393(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.376(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.399(3) . ?
C7 C12 1.395(3) . ?
C7 P1 1.815(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.389(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.390(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.404(3) . ?
C13 C18 1.395(3) . ?
C13 P2 1.809(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.390(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.388(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.392(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.394(3) . ?
C19 C24 1.394(3) . ?
C19 P2 1.812(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.394(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.386(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.383(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.383(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.409(3) . ?
C25 C30 1.408(3) . ?
C25 N1 1.446(2) . ?
C26 C27 1.392(3) . ?
C26 O1 1.360(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.384(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.384(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.405(3) . ?
C30 C31 1.495(3) . ?
C31 O2 1.209(2) . ?
C31 O3 1.336(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 N1 1.463(2) . ?
C32 P1 1.8403(19) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 N1 1.467(2) . ?
C33 P2 1.8427(19) . ?
O1 H1 0.8400 . ?
O3 H3A 0.8400 . ?
P1 Pd1 2.2529(5) . ?
P2 Pd1 2.2508(5) . ?
Cl1 Pd1 2.3605(5) . ?
Cl2 Pd1 2.3618(5) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C41 O41 1.394(4) . ?
O41 H41 0.8400 . ?
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
O1 H1 N1 0.84 2.23 2.709(2) 116.6 .
O3 H3A Cl2 0.84 2.35 3.1479(17) 158.3 2_777
O41 H41 Cl1 0.84 2.41 3.2518(18) 174.7 .
