#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/92/2209202.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_2209202
loop_
_publ_author_name
'Chahen, Ludovic'
'Therrien, Bruno'
'Süss-Fink, Georg'
_publ_section_title
trans-Dichloro{P,P'-[3,3'-oxybis(m-phenylenemethylene)]bis(diphenylphosphine)}palladium(II)
_journal_coeditor_code           HG2034
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1270
_journal_page_last               m1271
_journal_paper_doi               10.1107/S1600536806016710
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pd Cl2 (C38 H32 O P2)]'
_chemical_formula_moiety         'C38 H32 Cl2 O P2 Pd'
_chemical_formula_sum            'C38 H32 Cl2 O P2 Pd'
_chemical_formula_weight         743.88
_chemical_name_systematic
;
Dichloro{P,P'-[3,3'-oxybis(m-
phenylenemethylene)]bis(diphenylphosphine)}palladium(II)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.4170(5)
_cell_length_b                   20.8796(17)
_cell_length_c                   27.6747(13)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      2.08
_cell_volume                     6597.2(7)
_computing_cell_refinement       'CELL in IPDS Software'
_computing_data_collection       'EXPOSE in IPDS Software (Stoe & Cie, 2000)'
_computing_data_reduction        'INTEGRATE in IPDS Software'
_computing_molecular_graphics    'ORTEP-32 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_detector_area_resol_mean 0.81
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       φ
_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  0.0730
_diffrn_reflns_av_sigmaI/netI    0.0962
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            24892
_diffrn_reflns_theta_full        25.98
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.852
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.639
_refine_diff_density_min         -0.800
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.822
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.822
_refine_ls_R_factor_all          0.0859
_refine_ls_R_factor_gt           0.0369
_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)+(0.0295P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0744
_reflns_number_gt                3612
_reflns_number_total             6403
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hg2034.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_database_code               2209202
_cod_database_fobs_code          2209202
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'
'-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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
C C1 0.3890(3) 0.0435(2) 0.58133(13) 0.0261(9) Uani d . 1
H H1A 0.3173 0.0673 0.5757 0.031 Uiso calc R 1
H H1B 0.4075 0.0206 0.5518 0.031 Uiso calc R 1
C C2 0.3666(3) -0.0050(2) 0.62097(13) 0.0223(9) Uani d . 1
C C3 0.2757(3) 0.0049(2) 0.65342(14) 0.0274(10) Uani d . 1
H H3 0.2297 0.0415 0.6509 0.033 Uiso calc R 1
C C4 0.2527(4) -0.0394(2) 0.68961(14) 0.0326(11) Uani d . 1
H H4 0.1913 -0.0325 0.7111 0.039 Uiso calc R 1
C C5 0.3208(4) -0.0937(2) 0.69374(13) 0.0309(10) Uani d . 1
H H5 0.3052 -0.1238 0.7177 0.037 Uiso calc R 1
C C6 0.4131(3) -0.1029(2) 0.66185(14) 0.0261(9) Uani d . 1
C C7 0.4349(3) -0.05946(19) 0.62531(13) 0.0249(10) Uani d . 1
H H7 0.4956 -0.0668 0.6036 0.030 Uiso calc R 1
C C8 0.5959(4) -0.1597(2) 0.67097(14) 0.0257(9) Uani d . 1
C C9 0.6494(4) -0.2189(2) 0.66721(14) 0.0306(10) Uani d . 1
H H9 0.6048 -0.2555 0.6616 0.037 Uiso calc R 1
C C10 0.7695(4) -0.2232(2) 0.67190(15) 0.0346(11) Uani d . 1
H H10 0.8062 -0.2629 0.6697 0.041 Uiso calc R 1
C C11 0.8354(4) -0.1684(2) 0.67983(14) 0.0310(10) Uani d . 1
H H11 0.9163 -0.1719 0.6831 0.037 Uiso calc R 1
C C12 0.7832(3) -0.1089(2) 0.68297(13) 0.0258(10) Uani d . 1
C C13 0.6607(3) -0.1044(2) 0.67962(12) 0.0237(9) Uani d . 1
H H13 0.6235 -0.0650 0.6831 0.028 Uiso calc R 1
C C14 0.8558(3) -0.0491(2) 0.68865(13) 0.0273(9) Uani d . 1
H H14A 0.9354 -0.0606 0.6973 0.033 Uiso calc R 1
H H14B 0.8237 -0.0229 0.7144 0.033 Uiso calc R 1
C C15 0.4459(3) 0.1596(2) 0.63502(14) 0.0224(9) Uani d . 1
C C16 0.4253(3) 0.2231(2) 0.62130(14) 0.0254(9) Uani d . 1
H H16 0.4430 0.2358 0.5899 0.031 Uiso calc R 1
C C17 0.3794(4) 0.2672(2) 0.65330(15) 0.0308(10) Uani d . 1
H H17 0.3652 0.3090 0.6433 0.037 Uiso calc R 1
C C18 0.3546(3) 0.2488(2) 0.70045(15) 0.0318(11) Uani d . 1
H H18 0.3252 0.2785 0.7223 0.038 Uiso calc R 1
C C19 0.3737(4) 0.1863(2) 0.71470(15) 0.0302(10) Uani d . 1
H H19 0.3553 0.1739 0.7461 0.036 Uiso calc R 1
C C20 0.4197(3) 0.1419(2) 0.68292(13) 0.0268(10) Uani d . 1
H H20 0.4334 0.1002 0.6932 0.032 Uiso calc R 1
C C21 0.5233(4) 0.1435(2) 0.53712(14) 0.0266(10) Uani d . 1
C C22 0.4307(4) 0.1522(2) 0.50554(15) 0.0381(12) Uani d . 1
H H22 0.3563 0.1381 0.5142 0.046 Uiso calc R 1
C C23 0.4475(6) 0.1818(3) 0.46104(16) 0.0514(15) Uani d . 1
H H23 0.3847 0.1874 0.4401 0.062 Uiso calc R 1
C C24 0.5558(6) 0.2024(2) 0.44827(17) 0.0495(15) Uani d . 1
H H24 0.5669 0.2212 0.4181 0.059 Uiso calc R 1
C C25 0.6493(5) 0.1961(2) 0.47900(18) 0.0476(14) Uani d . 1
H H25 0.7227 0.2115 0.4702 0.057 Uiso calc R 1
C C26 0.6329(4) 0.1664(2) 0.52356(16) 0.0371(11) Uani d . 1
H H26 0.6960 0.1617 0.5445 0.045 Uiso calc R 1
C C27 0.9229(3) -0.05852(19) 0.58918(13) 0.0228(9) Uani d . 1
C C28 0.8546(4) -0.1068(2) 0.56920(14) 0.0285(10) Uani d . 1
H H28 0.7752 -0.1089 0.5766 0.034 Uiso calc R 1
C C29 0.9028(4) -0.1518(2) 0.53854(15) 0.0355(11) Uani d . 1
H H29 0.8564 -0.1841 0.5257 0.043 Uiso calc R 1
C C30 1.0205(4) -0.1485(2) 0.52707(15) 0.0388(12) Uani d . 1
H H30 1.0532 -0.1785 0.5062 0.047 Uiso calc R 1
C C31 1.0887(4) -0.1012(2) 0.54622(16) 0.0398(12) Uani d . 1
H H31 1.1678 -0.0992 0.5382 0.048 Uiso calc R 1
C C32 1.0415(4) -0.0562(2) 0.57758(14) 0.0330(11) Uani d . 1
H H32 1.0890 -0.0245 0.5908 0.040 Uiso calc R 1
C C33 0.9620(3) 0.06065(19) 0.63969(14) 0.0251(9) Uani d . 1
C C34 0.9997(3) 0.0825(2) 0.68446(13) 0.0238(9) Uani d . 1
H H34 0.9742 0.0621 0.7125 0.029 Uiso calc R 1
C C35 1.0748(3) 0.1343(2) 0.68775(15) 0.0284(10) Uani d . 1
H H35 1.0994 0.1486 0.7179 0.034 Uiso calc R 1
C C36 1.1132(4) 0.1648(2) 0.64679(15) 0.0301(10) Uani d . 1
H H36 1.1638 0.1995 0.6492 0.036 Uiso calc R 1
C C37 1.0761(4) 0.1435(2) 0.60172(15) 0.0316(11) Uani d . 1
H H37 1.1029 0.1638 0.5739 0.038 Uiso calc R 1
C C38 1.0004(4) 0.0928(2) 0.59784(14) 0.0278(10) Uani d . 1
H H38 0.9744 0.0797 0.5676 0.033 Uiso calc R 1
O O1 0.4748(2) -0.16025(15) 0.66673(11) 0.0336(7) Uani d . 1
P P1 0.50731(9) 0.10066(5) 0.59370(3) 0.0214(2) Uani d . 1
P P2 0.85659(8) -0.00311(5) 0.63181(3) 0.0216(2) Uani d . 1
Cl Cl1 0.68596(10) 0.08552(6) 0.69191(3) 0.0349(3) Uani d . 1
Cl Cl2 0.67431(10) 0.00658(5) 0.53700(3) 0.0342(2) Uani d . 1
Pd Pd1 0.67902(3) 0.046387(15) 0.614145(10) 0.02061(8) Uani d . 1
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'
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_publ_flag
C2 C1 P1 115.1(3) ?
C2 C1 H1A 108.5 ?
P1 C1 H1A 108.5 ?
C2 C1 H1B 108.5 ?
P1 C1 H1B 108.5 ?
H1A C1 H1B 107.5 ?
C7 C2 C3 119.2(4) ?
C7 C2 C1 121.1(3) ?
C3 C2 C1 119.6(4) ?
C4 C3 C2 120.5(4) ?
C4 C3 H3 119.7 ?
C2 C3 H3 119.7 ?
C5 C4 C3 120.1(4) ?
C5 C4 H4 120.0 ?
C3 C4 H4 120.0 ?
C4 C5 C6 119.3(4) ?
C4 C5 H5 120.3 ?
C6 C5 H5 120.3 ?
C7 C6 C5 120.8(4) ?
C7 C6 O1 122.9(4) ?
C5 C6 O1 116.1(4) ?
C6 C7 C2 120.1(4) ?
C6 C7 H7 120.0 ?
C2 C7 H7 120.0 ?
C9 C8 O1 115.2(4) ?
C9 C8 C13 121.3(4) ?
O1 C8 C13 123.4(4) ?
C10 C9 C8 119.3(4) ?
C10 C9 H9 120.3 ?
C8 C9 H9 120.3 ?
C9 C10 C11 120.1(4) ?
C9 C10 H10 120.0 ?
C11 C10 H10 120.0 ?
C12 C11 C10 121.2(4) ?
C12 C11 H11 119.4 ?
C10 C11 H11 119.4 ?
C11 C12 C13 119.1(4) ?
C11 C12 C14 121.0(4) ?
C13 C12 C14 119.9(4) ?
C8 C13 C12 119.0(4) ?
C8 C13 H13 120.5 ?
C12 C13 H13 120.5 ?
C12 C14 P2 110.2(3) ?
C12 C14 H14A 109.6 ?
P2 C14 H14A 109.6 ?
C12 C14 H14B 109.6 ?
P2 C14 H14B 109.6 ?
H14A C14 H14B 108.1 ?
C16 C15 C20 117.9(4) ?
C16 C15 P1 122.3(3) ?
C20 C15 P1 119.8(3) ?
C17 C16 C15 121.5(4) ?
C17 C16 H16 119.3 ?
C15 C16 H16 119.3 ?
C16 C17 C18 119.7(4) ?
C16 C17 H17 120.1 ?
C18 C17 H17 120.1 ?
C19 C18 C17 119.8(4) ?
C19 C18 H18 120.1 ?
C17 C18 H18 120.1 ?
C18 C19 C20 120.8(4) ?
C18 C19 H19 119.6 ?
C20 C19 H19 119.6 ?
C19 C20 C15 120.4(4) ?
C19 C20 H20 119.8 ?
C15 C20 H20 119.8 ?
C22 C21 C26 118.1(4) ?
C22 C21 P1 122.3(3) ?
C26 C21 P1 119.5(3) ?
C21 C22 C23 120.8(5) ?
C21 C22 H22 119.6 ?
C23 C22 H22 119.6 ?
C24 C23 C22 119.9(5) ?
C24 C23 H23 120.1 ?
C22 C23 H23 120.1 ?
C23 C24 C25 121.2(4) ?
C23 C24 H24 119.4 ?
C25 C24 H24 119.4 ?
C24 C25 C26 119.2(5) ?
C24 C25 H25 120.4 ?
C26 C25 H25 120.4 ?
C21 C26 C25 120.8(5) ?
C21 C26 H26 119.6 ?
C25 C26 H26 119.6 ?
C28 C27 C32 118.7(4) ?
C28 C27 P2 119.1(3) ?
C32 C27 P2 122.2(3) ?
C29 C28 C27 120.9(4) ?
C29 C28 H28 119.5 ?
C27 C28 H28 119.5 ?
C28 C29 C30 119.7(5) ?
C28 C29 H29 120.2 ?
C30 C29 H29 120.2 ?
C31 C30 C29 120.2(4) ?
C31 C30 H30 119.9 ?
C29 C30 H30 119.9 ?
C30 C31 C32 120.7(4) ?
C30 C31 H31 119.6 ?
C32 C31 H31 119.6 ?
C31 C32 C27 119.8(4) ?
C31 C32 H32 120.1 ?
C27 C32 H32 120.1 ?
C34 C33 C38 118.7(4) ?
C34 C33 P2 123.8(3) ?
C38 C33 P2 117.3(3) ?
C35 C34 C33 120.5(4) ?
C35 C34 H34 119.7 ?
C33 C34 H34 119.7 ?
C36 C35 C34 120.4(4) ?
C36 C35 H35 119.8 ?
C34 C35 H35 119.8 ?
C35 C36 C37 119.7(4) ?
C35 C36 H36 120.1 ?
C37 C36 H36 120.1 ?
C38 C37 C36 120.6(4) ?
C38 C37 H37 119.7 ?
C36 C37 H37 119.7 ?
C37 C38 C33 120.0(4) ?
C37 C38 H38 120.0 ?
C33 C38 H38 120.0 ?
C8 O1 C6 120.3(3) yes
C21 P1 C15 104.38(19) ?
C21 P1 C1 103.52(18) ?
C15 P1 C1 105.87(19) ?
C21 P1 Pd1 111.39(14) ?
C15 P1 Pd1 119.94(13) ?
C1 P1 Pd1 110.35(14) yes
C33 P2 C27 105.66(18) ?
C33 P2 C14 106.51(18) ?
C27 P2 C14 102.96(19) ?
C33 P2 Pd1 106.14(13) ?
C27 P2 Pd1 120.61(13) ?
C14 P2 Pd1 113.97(13) yes
Cl2 Pd1 Cl1 179.21(4) yes
Cl2 Pd1 P2 93.15(4) ?
Cl1 Pd1 P2 86.06(4) ?
Cl2 Pd1 P1 86.02(4) ?
Cl1 Pd1 P1 94.77(4) ?
P2 Pd1 P1 176.50(4) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 1.515(6) ?
C1 P1 1.835(4) yes
C1 H1A 0.9700 ?
C1 H1B 0.9700 ?
C2 C7 1.383(6) ?
C2 C3 1.389(5) ?
C3 C4 1.389(6) ?
C3 H3 0.9300 ?
C4 C5 1.379(6) ?
C4 H4 0.9300 ?
C5 C6 1.387(6) ?
C5 H5 0.9300 ?
C6 C7 1.381(6) ?
C6 O1 1.396(5) yes
C7 H7 0.9300 ?
C8 C9 1.383(6) ?
C8 O1 1.388(5) yes
C8 C13 1.393(6) ?
C9 C10 1.380(6) ?
C9 H9 0.9300 ?
C10 C11 1.387(6) ?
C10 H10 0.9300 ?
C11 C12 1.382(6) ?
C11 H11 0.9300 ?
C12 C13 1.405(6) ?
C12 C14 1.506(6) ?
C13 H13 0.9300 ?
C14 P2 1.843(4) yes
C14 H14A 0.9700 ?
C14 H14B 0.9700 ?
C15 C16 1.399(6) ?
C15 C20 1.408(5) ?
C15 P1 1.819(4) ?
C16 C17 1.381(6) ?
C16 H16 0.9300 ?
C17 C18 1.389(6) ?
C17 H17 0.9300 ?
C18 C19 1.381(6) ?
C18 H18 0.9300 ?
C19 C20 1.381(6) ?
C19 H19 0.9300 ?
C20 H20 0.9300 ?
C21 C22 1.384(6) ?
C21 C26 1.391(6) ?
C21 P1 1.812(4) ?
C22 C23 1.391(6) ?
C22 H22 0.9300 ?
C23 C24 1.356(8) ?
C23 H23 0.9300 ?
C24 C25 1.371(8) ?
C24 H24 0.9300 ?
C25 C26 1.394(6) ?
C25 H25 0.9300 ?
C26 H26 0.9300 ?
C27 C28 1.390(6) ?
C27 C32 1.393(6) ?
C27 P2 1.817(4) ?
C28 C29 1.380(6) ?
C28 H28 0.9300 ?
C29 C30 1.382(7) ?
C29 H29 0.9300 ?
C30 C31 1.363(7) ?
C30 H30 0.9300 ?
C31 C32 1.389(6) ?
C31 H31 0.9300 ?
C32 H32 0.9300 ?
C33 C34 1.389(5) ?
C33 C38 1.409(5) ?
C33 P2 1.808(4) ?
C34 C35 1.384(6) ?
C34 H34 0.9300 ?
C35 C36 1.372(6) ?
C35 H35 0.9300 ?
C36 C37 1.390(6) ?
C36 H36 0.9300 ?
C37 C38 1.370(6) ?
C37 H37 0.9300 ?
C38 H38 0.9300 ?
P1 Pd1 2.3341(11) yes
P2 Pd1 2.3275(10) yes
Cl1 Pd1 2.3034(9) yes
Cl2 Pd1 2.2916(9) yes
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
C1 H1B Cl2 0.97 3.09 3.565(4) 111.9
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
P1 C1 C2 C7 -81.4(4)
P1 C1 C2 C3 99.0(4)
C7 C2 C3 C4 -0.5(6)
C1 C2 C3 C4 179.1(4)
C2 C3 C4 C5 0.4(6)
C3 C4 C5 C6 0.8(6)
C4 C5 C6 C7 -1.9(6)
C4 C5 C6 O1 -177.1(4)
C5 C6 C7 C2 1.8(6)
O1 C6 C7 C2 176.7(4)
C3 C2 C7 C6 -0.6(6)
C1 C2 C7 C6 179.8(4)
O1 C8 C9 C10 -178.8(4)
C13 C8 C9 C10 -0.3(6)
C8 C9 C10 C11 -0.6(6)
C9 C10 C11 C12 -0.3(6)
C10 C11 C12 C13 2.1(6)
C10 C11 C12 C14 -176.4(4)
C9 C8 C13 C12 2.1(6)
O1 C8 C13 C12 -179.6(3)
C11 C12 C13 C8 -3.0(5)
C14 C12 C13 C8 175.5(3)
C11 C12 C14 P2 107.0(4)
C13 C12 C14 P2 -71.5(4)
C20 C15 C16 C17 -0.8(6)
P1 C15 C16 C17 -179.6(3)
C15 C16 C17 C18 1.1(6)
C16 C17 C18 C19 -1.4(6)
C17 C18 C19 C20 1.4(6)
C18 C19 C20 C15 -1.2(6)
C16 C15 C20 C19 0.8(6)
P1 C15 C20 C19 179.6(3)
C26 C21 C22 C23 1.3(7)
P1 C21 C22 C23 -176.0(4)
C21 C22 C23 C24 0.1(8)
C22 C23 C24 C25 -1.7(8)
C23 C24 C25 C26 1.8(8)
C22 C21 C26 C25 -1.2(7)
P1 C21 C26 C25 176.2(4)
C24 C25 C26 C21 -0.3(7)
C32 C27 C28 C29 0.1(6)
P2 C27 C28 C29 -176.8(3)
C27 C28 C29 C30 -0.7(6)
C28 C29 C30 C31 0.4(7)
C29 C30 C31 C32 0.3(7)
C30 C31 C32 C27 -0.9(7)
C28 C27 C32 C31 0.6(6)
P2 C27 C32 C31 177.5(3)
C38 C33 C34 C35 -0.9(6)
P2 C33 C34 C35 -175.8(3)
C33 C34 C35 C36 -0.1(6)
C34 C35 C36 C37 0.1(6)
C35 C36 C37 C38 0.8(6)
C36 C37 C38 C33 -1.8(6)
C34 C33 C38 C37 1.8(6)
P2 C33 C38 C37 177.0(3)
C9 C8 O1 C6 -169.3(3)
C13 C8 O1 C6 12.3(6)
C7 C6 O1 C8 56.8(5)
C5 C6 O1 C8 -128.2(4)
C22 C21 P1 C15 -81.7(4)
C26 C21 P1 C15 101.0(4)
C22 C21 P1 C1 28.9(4)
C26 C21 P1 C1 -148.3(4)
C22 C21 P1 Pd1 147.5(3)
C26 C21 P1 Pd1 -29.8(4)
C16 C15 P1 C21 -2.5(4)
C20 C15 P1 C21 178.8(3)
C16 C15 P1 C1 -111.4(3)
C20 C15 P1 C1 69.9(3)
C16 C15 P1 Pd1 123.1(3)
C20 C15 P1 Pd1 -55.6(3)
C2 C1 P1 C21 172.7(3)
C2 C1 P1 C15 -77.8(3)
C2 C1 P1 Pd1 53.4(3)
C34 C33 P2 C27 -129.5(3)
C38 C33 P2 C27 55.6(3)
C34 C33 P2 C14 -20.5(4)
C38 C33 P2 C14 164.6(3)
C34 C33 P2 Pd1 101.3(3)
C38 C33 P2 Pd1 -73.6(3)
C28 C27 P2 C33 -168.6(3)
C32 C27 P2 C33 14.5(4)
C28 C27 P2 C14 79.8(3)
C32 C27 P2 C14 -97.0(4)
C28 C27 P2 Pd1 -48.5(4)
C32 C27 P2 Pd1 134.6(3)
C12 C14 P2 C33 -171.9(3)
C12 C14 P2 C27 -61.0(3)
C12 C14 P2 Pd1 71.4(3)
C33 P2 Pd1 Cl2 113.33(14)
C27 P2 Pd1 Cl2 -6.52(16)
C14 P2 Pd1 Cl2 -129.77(16)
C33 P2 Pd1 Cl1 -66.78(14)
C27 P2 Pd1 Cl1 173.37(16)
C14 P2 Pd1 Cl1 50.12(16)
C21 P1 Pd1 Cl2 -49.90(15)
C15 P1 Pd1 Cl2 -172.13(16)
C1 P1 Pd1 Cl2 64.49(13)
C21 P1 Pd1 Cl1 130.16(15)
C15 P1 Pd1 Cl1 7.93(16)
C1 P1 Pd1 Cl1 -115.45(13)
