#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006247.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2006247
loop_
_publ_author_name
'Stark, J. L.'
'Whitmire, K. H.'
_publ_section_title
;
 <i>trans</i>-Dibromobis(triphenylphosphine)palladium(II)
 Tetrahydrofuran Solvate and
 <i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II)
 Bis(chloroform) Solvate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9700007
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         '[Pd Br2 (C18 H15 P)2] , C4 H8 O'
_chemical_formula_structural
;
[(C6H5)3P]2PdBr2 . C4H8O
;
_chemical_formula_sum            'C40 H38 Br2 O P2 Pd'
_chemical_formula_weight         862.86
_chemical_name_common
;
bis(triphenylphosphine)palladium bromide
;
_chemical_name_systematic
;
 trans-dibromobis(triphenylphosphine)palladium(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                92.16(3)
_cell_angle_beta                 92.81(3)
_cell_angle_gamma                98.73(3)
_cell_formula_units_Z            2
_cell_length_a                   9.356(2)
_cell_length_b                   9.609(2)
_cell_length_c                   20.529(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      6.08
_cell_measurement_theta_min      3.74
_cell_volume                     1820.1(7)
_computing_cell_refinement       'TEXSAN 5.0'
_computing_data_collection       'TEXSAN 5.0'
_computing_data_reduction        'TEXSAN 5.0'
_computing_molecular_graphics    SHELXTL-PLUS
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measurement_device       'Rigaku AFC%-5'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0397
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            5097
_diffrn_reflns_theta_max         24.85
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.824
_exptl_absorpt_correction_T_max  0.568
_exptl_absorpt_correction_T_min  0.517
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.908
_refine_diff_density_min         -1.257
_refine_ls_extinction_coef       0.0013(4)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.051
_refine_ls_goodness_of_fit_obs   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         4756
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_restrained_S_obs      1.080
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_obs          0.0470
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w=1/[\s^2^(Fo^2^)+(0.0589P)^2^+11.8164P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.1418
_refine_ls_wR_factor_obs         0.1316
_reflns_number_observed          3991
_reflns_number_total             4758
_reflns_observed_criterion       >2sigma(I)
_[local]_cod_data_source_file    qa0004.cif
_[local]_cod_data_source_block   1
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1820.1(6)
_cod_database_code               2006247
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pd1 0.0264(3) 0.0272(3) 0.0264(3) 0.0046(2) -0.0011(2) -0.0024(2)
Br1 0.0665(6) 0.0507(6) 0.0526(6) -0.0012(4) -0.0003(4) 0.0020(4)
Br2 0.0441(5) 0.0534(5) 0.0494(5) 0.0030(4) 0.0068(4) -0.0018(4)
P1 0.0288(10) 0.0295(10) 0.0287(10) 0.0070(8) -0.0008(8) -0.0020(8)
P2 0.0245(9) 0.0311(10) 0.0274(9) 0.0054(8) -0.0003(7) -0.0024(8)
C111 0.038(4) 0.030(4) 0.026(4) 0.009(3) 0.001(3) -0.002(3)
C112 0.052(5) 0.039(5) 0.046(5) 0.015(4) 0.001(4) 0.002(4)
C113 0.074(7) 0.052(6) 0.054(5) 0.034(5) 0.015(5) 0.015(4)
C114 0.111(9) 0.029(5) 0.049(5) 0.019(5) 0.021(6) 0.001(4)
C115 0.076(7) 0.041(5) 0.067(6) -0.005(5) -0.002(5) -0.008(5)
C116 0.044(5) 0.041(5) 0.051(5) 0.007(4) -0.007(4) -0.010(4)
C121 0.028(4) 0.039(4) 0.028(4) 0.004(3) -0.004(3) -0.001(3)
C122 0.039(4) 0.042(5) 0.043(5) 0.010(4) 0.002(4) -0.006(4)
C123 0.045(5) 0.070(6) 0.041(5) 0.015(4) 0.009(4) -0.009(4)
C124 0.043(5) 0.078(7) 0.039(5) -0.004(5) 0.007(4) 0.007(5)
C125 0.058(6) 0.052(5) 0.049(5) -0.003(4) 0.001(4) 0.012(4)
C126 0.054(5) 0.036(5) 0.042(5) 0.005(4) 0.007(4) 0.001(4)
C131 0.027(4) 0.028(4) 0.039(4) 0.007(3) -0.001(3) 0.003(3)
C132 0.036(4) 0.048(5) 0.033(4) 0.011(4) 0.002(3) -0.002(3)
C133 0.046(5) 0.058(5) 0.045(5) 0.022(4) 0.014(4) 0.005(4)
C134 0.035(4) 0.058(5) 0.052(5) 0.018(4) 0.005(4) 0.015(4)
C135 0.047(5) 0.065(6) 0.040(5) 0.015(4) -0.013(4) -0.003(4)
C136 0.049(5) 0.051(5) 0.035(4) 0.022(4) -0.006(4) -0.008(4)
C211 0.029(4) 0.040(4) 0.026(4) 0.010(3) 0.000(3) 0.003(3)
C212 0.033(4) 0.063(6) 0.043(5) 0.013(4) -0.001(4) -0.017(4)
C213 0.047(5) 0.078(7) 0.043(5) 0.036(5) 0.013(4) 0.004(5)
C214 0.028(4) 0.070(6) 0.058(6) 0.003(4) 0.000(4) 0.014(5)
C215 0.035(5) 0.047(5) 0.069(6) 0.000(4) -0.009(4) -0.004(4)
C216 0.037(4) 0.036(4) 0.043(4) 0.003(3) -0.002(3) 0.001(4)
C221 0.036(4) 0.025(4) 0.033(4) 0.002(3) 0.002(3) -0.006(3)
C222 0.035(4) 0.043(5) 0.044(5) 0.002(3) 0.004(4) 0.003(4)
C223 0.048(5) 0.042(5) 0.052(5) 0.001(4) 0.013(4) 0.000(4)
C224 0.078(7) 0.044(5) 0.037(5) -0.007(5) 0.015(5) 0.005(4)
C225 0.066(6) 0.054(5) 0.040(5) 0.011(5) -0.006(4) 0.015(4)
C226 0.039(4) 0.045(5) 0.040(4) 0.010(4) -0.001(4) 0.002(4)
C231 0.026(4) 0.031(4) 0.035(4) 0.004(3) 0.005(3) 0.002(3)
C232 0.037(4) 0.047(5) 0.031(4) 0.014(4) 0.002(3) -0.001(3)
C233 0.054(5) 0.049(5) 0.041(5) 0.018(4) 0.009(4) -0.009(4)
C234 0.058(5) 0.038(5) 0.056(6) 0.020(4) 0.021(4) 0.006(4)
C235 0.058(5) 0.047(5) 0.043(5) 0.025(4) 0.013(4) 0.015(4)
C236 0.042(4) 0.041(4) 0.034(4) 0.015(4) 0.009(3) 0.002(3)
O1 0.108(7) 0.140(9) 0.103(7) 0.014(6) 0.007(6) -0.006(7)
C1 0.138(14) 0.129(13) 0.090(10) 0.008(11) 0.047(10) 0.021(9)
C2 0.114(13) 0.115(15) 0.27(3) 0.011(11) 0.043(16) 0.017(17)
C3 0.41(4) 0.074(11) 0.089(12) 0.021(17) -0.027(17) 0.033(9)
C4 0.199(19) 0.128(15) 0.108(13) -0.023(14) 0.064(13) 0.021(11)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Pd1 0.73514(5) 0.74706(5) 0.25547(2) 0.0268(2) Uani d . 1 Pd
Br1 0.90861(10) 0.92286(10) 0.20917(4) 0.0578(3) Uani d . 1 Br
Br2 0.56790(9) 0.56652(9) 0.30252(4) 0.0494(3) Uani d . 1 Br
P1 0.8344(2) 0.8383(2) 0.35770(9) 0.0289(4) Uani d . 1 P
P2 0.6500(2) 0.6484(2) 0.15245(8) 0.0277(4) Uani d . 1 P
C111 0.8612(8) 1.0295(7) 0.3624(3) 0.031(2) Uani d . 1 C
C112 0.7458(9) 1.0948(8) 0.3426(4) 0.045(2) Uani d . 1 C
H11A 0.6576(9) 1.0397(8) 0.3278(4) 0.054 Uiso calc R 1 H
C113 0.7583(11) 1.2393(10) 0.3443(4) 0.057(2) Uani d . 1 C
H11B 0.6789(11) 1.2826(10) 0.3309(4) 0.068 Uiso calc R 1 H
C114 0.8878(13) 1.3207(9) 0.3655(4) 0.062(3) Uani d . 1 C
H11C 0.8968(13) 1.4195(9) 0.3665(4) 0.074 Uiso calc R 1 H
C115 1.0019(11) 1.2577(9) 0.3850(5) 0.063(3) Uani d . 1 C
H11D 1.0902(11) 1.3135(9) 0.3990(5) 0.076 Uiso calc R 1 H
C116 0.9901(9) 1.1111(8) 0.3845(4) 0.046(2) Uani d . 1 C
H11E 1.0690(9) 1.0683(8) 0.3991(4) 0.055 Uiso calc R 1 H
C121 0.7385(7) 0.7900(8) 0.4311(3) 0.032(2) Uani d . 1 C
C122 0.6755(8) 0.8846(8) 0.4674(4) 0.041(2) Uani d . 1 C
H12A 0.6802(8) 0.9782(8) 0.4548(4) 0.049 Uiso calc R 1 H
C123 0.6044(9) 0.8412(10) 0.5231(4) 0.051(2) Uani d . 1 C
H12B 0.5606(9) 0.9060(10) 0.5476(4) 0.062 Uiso calc R 1 H
C124 0.5974(9) 0.7057(10) 0.5425(4) 0.054(2) Uani d . 1 C
H12C 0.5492(9) 0.6773(10) 0.5801(4) 0.065 Uiso calc R 1 H
C125 0.6608(10) 0.6133(10) 0.5070(4) 0.054(2) Uani d . 1 C
H12D 0.6570(10) 0.5202(10) 0.5201(4) 0.065 Uiso calc R 1 H
C126 0.7310(9) 0.6539(8) 0.4516(4) 0.044(2) Uani d . 1 C
H12E 0.7744(9) 0.5881(8) 0.4275(4) 0.053 Uiso calc R 1 H
C131 1.0092(7) 0.7819(7) 0.3752(3) 0.031(2) Uani d . 1 C
C132 1.0761(8) 0.7169(8) 0.3264(4) 0.038(2) Uani d . 1 C
H13A 1.0297(8) 0.6993(8) 0.2846(4) 0.046 Uiso calc R 1 H
C133 1.2105(9) 0.6779(9) 0.3387(4) 0.048(2) Uani d . 1 C
H13B 1.2548(9) 0.6337(9) 0.3053(4) 0.057 Uiso calc R 1 H
C134 1.2802(9) 0.7032(9) 0.3995(4) 0.047(2) Uani d . 1 C
H13C 1.3731(9) 0.6794(9) 0.4073(4) 0.056 Uiso calc R 1 H
C135 1.2131(9) 0.7633(9) 0.4486(4) 0.051(2) Uani d . 1 C
H13D 1.2592(9) 0.7782(9) 0.4905(4) 0.061 Uiso calc R 1 H
C136 1.0777(9) 0.8024(8) 0.4371(4) 0.044(2) Uani d . 1 C
H13E 1.0322(9) 0.8429(8) 0.4713(4) 0.053 Uiso calc R 1 H
C211 0.4530(7) 0.6108(8) 0.1429(3) 0.031(2) Uani d . 1 C
C212 0.3752(8) 0.7072(9) 0.1699(4) 0.046(2) Uani d . 1 C
H21A 0.4239(8) 0.7868(9) 0.1941(4) 0.056 Uiso calc R 1 H
C213 0.2261(9) 0.6873(10) 0.1615(4) 0.053(2) Uani d . 1 C
H21B 0.1737(9) 0.7542(10) 0.1794(4) 0.063 Uiso calc R 1 H
C214 0.1535(9) 0.5695(10) 0.1270(4) 0.052(2) Uani d . 1 C
H21C 0.0519(9) 0.5556(10) 0.1217(4) 0.063 Uiso calc R 1 H
C215 0.2291(9) 0.4743(9) 0.1009(4) 0.052(2) Uani d . 1 C
H21D 0.1797(9) 0.3939(9) 0.0775(4) 0.062 Uiso calc R 1 H
C216 0.3801(8) 0.4942(8) 0.1083(4) 0.039(2) Uani d . 1 C
H21E 0.4319(8) 0.4278(8) 0.0896(4) 0.047 Uiso calc R 1 H
C221 0.6960(8) 0.7504(7) 0.0808(3) 0.032(2) Uani d . 1 C
C222 0.8413(8) 0.7708(8) 0.0631(4) 0.041(2) Uani d . 1 C
H22A 0.9118(8) 0.7336(8) 0.0884(4) 0.049 Uiso calc R 1 H
C223 0.8800(9) 0.8448(8) 0.0091(4) 0.048(2) Uani d . 1 C
H22B 0.9769(9) 0.8576(8) -0.0025(4) 0.057 Uiso calc R 1 H
C224 0.7796(11) 0.8995(9) -0.0275(4) 0.054(2) Uani d . 1 C
H22C 0.8072(11) 0.9500(9) -0.0643(4) 0.065 Uiso calc R 1 H
C225 0.6368(10) 0.8816(9) -0.0109(4) 0.053(2) Uani d . 1 C
H22D 0.5674(10) 0.9198(9) -0.0365(4) 0.064 Uiso calc R 1 H
C226 0.5963(8) 0.8075(8) 0.0431(4) 0.041(2) Uani d . 1 C
H22E 0.4991(8) 0.7958(8) 0.0542(4) 0.049 Uiso calc R 1 H
C231 0.7197(7) 0.4846(7) 0.1347(3) 0.030(2) Uani d . 1 C
C232 0.7160(8) 0.4276(8) 0.0710(4) 0.038(2) Uani d . 1 C
H23A 0.6798(8) 0.4752(8) 0.0362(4) 0.045 Uiso calc R 1 H
C233 0.7651(9) 0.3018(9) 0.0592(4) 0.047(2) Uani d . 1 C
H23B 0.7614(9) 0.2635(9) 0.0162(4) 0.056 Uiso calc R 1 H
C234 0.8191(9) 0.2319(8) 0.1089(4) 0.049(2) Uani d . 1 C
H23C 0.8509(9) 0.1453(8) 0.1001(4) 0.058 Uiso calc R 1 H
C235 0.8273(9) 0.2879(9) 0.1719(4) 0.047(2) Uani d . 1 C
H23D 0.8663(9) 0.2405(9) 0.2061(4) 0.057 Uiso calc R 1 H
C236 0.7778(8) 0.4141(8) 0.1845(4) 0.038(2) Uani d . 1 C
H23E 0.7838(8) 0.4524(8) 0.2276(4) 0.046 Uiso calc R 1 H
O1 0.4270(11) 1.0129(11) 0.2580(5) 0.118(3) Uani d . 1 O
C1 0.3183(18) 1.0605(18) 0.2881(7) 0.118(5) Uani d . 1 C
H1A 0.3458(18) 1.0785(18) 0.3347(7) 0.142 Uiso calc R 1 H
H1B 0.2321(18) 0.9882(18) 0.2840(7) 0.142 Uiso calc R 1 H
C2 0.284(2) 1.189(2) 0.2604(13) 0.165(8) Uani d . 1 C
H2A 0.181(2) 1.180(2) 0.2464(13) 0.198 Uiso calc R 1 H
H2B 0.309(2) 1.270(2) 0.2916(13) 0.198 Uiso calc R 1 H
C3 0.374(4) 1.2021(18) 0.2057(8) 0.191(13) Uani d . 1 C
H3A 0.315(4) 1.2049(18) 0.1652(8) 0.230 Uiso calc R 1 H
H3B 0.444(4) 1.2893(18) 0.2107(8) 0.230 Uiso calc R 1 H
C4 0.445(2) 1.088(2) 0.2032(8) 0.148(7) Uani d . 1 C
H4A 0.549(2) 1.120(2) 0.1988(8) 0.177 Uiso calc R 1 H
H4B 0.409(2) 1.027(2) 0.1647(8) 0.177 Uiso calc R 1 H
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'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 '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_publ_flag
P1 Pd1 P2 176.06(6) y
P1 Pd1 Br1 86.82(6) y
P2 Pd1 Br1 92.18(6) y
P1 Pd1 Br2 92.76(6) y
P2 Pd1 Br2 88.12(6) y
Br1 Pd1 Br2 178.09(4) y
C111 P1 C131 108.0(3) ?
C111 P1 C121 103.6(3) ?
C131 P1 C121 102.2(3) ?
C111 P1 Pd1 111.8(2) ?
C131 P1 Pd1 110.6(2) ?
C121 P1 Pd1 119.7(2) ?
C211 P2 C231 107.7(3) ?
C211 P2 C221 102.2(3) ?
C231 P2 C221 102.8(3) ?
C211 P2 Pd1 113.3(2) ?
C231 P2 Pd1 111.5(2) ?
C221 P2 Pd1 118.3(2) ?
C112 C111 C116 119.3(7) ?
C112 C111 P1 117.5(6) ?
C116 C111 P1 123.3(6) ?
C113 C112 C111 120.8(8) ?
C112 C113 C114 119.9(8) ?
C115 C114 C113 119.8(8) ?
C114 C115 C116 120.9(9) ?
C111 C116 C115 119.3(8) ?
C122 C121 C126 118.5(7) ?
C122 C121 P1 122.5(6) ?
C126 C121 P1 119.0(5) ?
C121 C122 C123 119.7(8) ?
C124 C123 C122 121.1(8) ?
C125 C124 C123 119.0(8) ?
C124 C125 C126 120.8(8) ?
C125 C126 C121 120.9(8) ?
C132 C131 C136 118.7(6) ?
C132 C131 P1 120.1(5) ?
C136 C131 P1 121.2(5) ?
C133 C132 C131 120.4(7) ?
C134 C133 C132 120.6(7) ?
C135 C134 C133 119.4(7) ?
C134 C135 C136 120.7(7) ?
C135 C136 C131 120.1(7) ?
C216 C211 C212 119.1(7) ?
C216 C211 P2 123.0(5) ?
C212 C211 P2 117.9(6) ?
C211 C212 C213 120.3(8) ?
C214 C213 C212 120.3(8) ?
C215 C214 C213 119.7(7) ?
C214 C215 C216 120.6(8) ?
C211 C216 C215 120.1(7) ?
C226 C221 C222 118.2(7) ?
C226 C221 P2 123.5(6) ?
C222 C221 P2 118.3(6) ?
C223 C222 C221 120.2(7) ?
C224 C223 C222 120.4(8) ?
C223 C224 C225 120.4(8) ?
C226 C225 C224 119.8(8) ?
C221 C226 C225 121.0(8) ?
C236 C231 C232 118.5(6) ?
C236 C231 P2 120.3(5) ?
C232 C231 P2 121.2(5) ?
C233 C232 C231 120.0(7) ?
C234 C233 C232 120.9(7) ?
C233 C234 C235 120.1(7) ?
C234 C235 C236 119.6(7) ?
C235 C236 C231 120.8(7) ?
C1 O1 C4 105.8(13) ?
O1 C1 C2 111.5(13) ?
C3 C2 C1 101.9(15) ?
C4 C3 C2 107.9(14) ?
C3 C4 O1 111.1(15) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 P1 2.336(2) y
Pd1 P2 2.337(2) y
Pd1 Br1 2.4148(13) y
Pd1 Br2 2.4169(13) y
P1 C111 1.815(7) ?
P1 C131 1.823(7) ?
P1 C121 1.830(7) ?
P2 C211 1.823(7) ?
P2 C231 1.824(7) ?
P2 C221 1.831(7) ?
C111 C112 1.380(10) ?
C111 C116 1.381(10) ?
C112 C113 1.375(12) ?
C113 C114 1.380(14) ?
C114 C115 1.356(14) ?
C115 C116 1.396(12) ?
C121 C122 1.372(10) ?
C121 C126 1.382(10) ?
C122 C123 1.397(11) ?
C123 C124 1.369(12) ?
C124 C125 1.351(12) ?
C125 C126 1.380(11) ?
C131 C132 1.384(10) ?
C131 C136 1.389(10) ?
C132 C133 1.380(11) ?
C133 C134 1.375(11) ?
C134 C135 1.368(11) ?
C135 C136 1.387(11) ?
C211 C216 1.373(10) ?
C211 C212 1.379(10) ?
C212 C213 1.380(11) ?
C213 C214 1.380(12) ?
C214 C215 1.350(12) ?
C215 C216 1.397(11) ?
C221 C226 1.374(10) ?
C221 C222 1.411(10) ?
C222 C223 1.374(11) ?
C223 C224 1.355(12) ?
C224 C225 1.382(12) ?
C225 C226 1.378(11) ?
C231 C236 1.383(10) ?
C231 C232 1.394(10) ?
C232 C233 1.375(11) ?
C233 C234 1.360(11) ?
C234 C235 1.376(11) ?
C235 C236 1.382(11) ?
O1 C1 1.34(2) ?
O1 C4 1.36(2) ?
C1 C2 1.45(2) ?
C2 C3 1.44(2) ?
C3 C4 1.36(2) ?