#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:12:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179780 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/76/7007699.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_7007699
loop_
_publ_author_name
'Cadierno, Victorio'
'Díez, Josefina'
'García-Alvarez, Joaquín'
'Gimeno, José'
'Nebra, Noel'
'Rubio-García, Javier'
_publ_section_title
;
 Synthesis and reactivity studies of palladium(II) complexes containing
 the N-phosphorylated iminophosphorane-phosphine ligands
 Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic
 synthesis of 2,3-dimethylfuran.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5593
_journal_page_last               5604
_journal_paper_doi               10.1039/b609359k
_journal_year                    2006
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C58 H64 Cl2 N2 O6 P6 Pd1'
_chemical_formula_sum            'C58 H64 Cl2 N2 O6 P6 Pd'
_chemical_formula_weight         1248.23
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                102.3320(10)
_cell_angle_beta                 98.4270(10)
_cell_angle_gamma                109.9560(10)
_cell_formula_units_Z            1
_cell_length_a                   9.5971(2)
_cell_length_b                   9.9089(2)
_cell_length_c                   17.5208(4)
_cell_measurement_reflns_used    4586
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      70
_cell_measurement_theta_min      2
_cell_volume                     1485.66(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2005)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens, 1999)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device       '95 mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'φ and ω scan'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9981
_diffrn_reflns_theta_full        70.02
_diffrn_reflns_theta_max         70.02
_diffrn_reflns_theta_min         2.66
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.276
_exptl_absorpt_correction_T_max  1.080
_exptl_absorpt_correction_T_min  0.900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'SORTAV (R.H. Blessing, Acta Cryst. (1995), A51, 33-38)'
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.780
_refine_diff_density_min         -0.834
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         5470
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0374
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0899P)²+1.2057P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1072
_refine_ls_wR_factor_ref         0.1376
_reflns_number_gt                4989
_reflns_number_total             5470
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b609359k.txt
_cod_data_source_block           7
_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        1485.66(5)
_cod_database_code               7007699
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 0.0568(4) 0.8906(4) 0.17996(19) 0.0249(6) Uani 1 1 d . . .
H1A H -0.0447 0.8139 0.1495 0.030 Uiso 1 1 calc R . .
H1B H 0.1155 0.8371 0.2023 0.030 Uiso 1 1 calc R . .
C2 C 0.4782(5) 1.1544(6) 0.4263(3) 0.0573(12) Uani 1 1 d . . .
H2A H 0.5553 1.1129 0.4139 0.069 Uiso 1 1 calc R . .
H2B H 0.4344 1.1751 0.3774 0.069 Uiso 1 1 calc R . .
C3 C 0.5492(10) 1.2901(8) 0.4904(5) 0.123(3) Uani 1 1 d . . .
H3A H 0.4805 1.3439 0.4935 0.185 Uiso 1 1 calc R . .
H3B H 0.6447 1.3528 0.4805 0.185 Uiso 1 1 calc R . .
H3C H 0.5712 1.2666 0.5413 0.185 Uiso 1 1 calc R . .
C4 C 0.0129(10) 0.7327(8) 0.4293(6) 0.127(4) Uani 1 1 d . . .
H4A H -0.0542 0.7028 0.3750 0.152 Uiso 1 1 calc R . .
H4B H 0.0763 0.6720 0.4267 0.152 Uiso 1 1 calc R . .
C5 C -0.0776(10) 0.6928(8) 0.4797(5) 0.117(3) Uani 1 1 d . . .
H5A H -0.0156 0.6935 0.5296 0.175 Uiso 1 1 calc R . .
H5B H -0.1558 0.5920 0.4540 0.175 Uiso 1 1 calc R . .
H5C H -0.1269 0.7639 0.4920 0.175 Uiso 1 1 calc R . .
C6 C 0.2139(4) 0.8208(4) 0.05878(19) 0.0268(7) Uani 1 1 d . . .
C7 C 0.1599(4) 0.6771(4) 0.0669(2) 0.0315(7) Uani 1 1 d . . .
H7 H 0.0860 0.6502 0.0973 0.038 Uiso 1 1 calc R . .
C8 C 0.2143(5) 0.5714(4) 0.0301(2) 0.0395(8) Uani 1 1 d . . .
H8 H 0.1778 0.4729 0.0358 0.047 Uiso 1 1 calc R . .
C9 C 0.3212(4) 0.6114(5) -0.0141(2) 0.0420(9) Uani 1 1 d . . .
H9 H 0.3587 0.5400 -0.0386 0.050 Uiso 1 1 calc R . .
C10 C 0.3743(4) 0.7530(4) -0.0234(2) 0.0399(9) Uani 1 1 d . . .
H10 H 0.4478 0.7791 -0.0543 0.048 Uiso 1 1 calc R . .
C11 C 0.3202(4) 0.8573(4) 0.0123(2) 0.0332(7) Uani 1 1 d . . .
H11 H 0.3558 0.9547 0.0053 0.040 Uiso 1 1 calc R . .
C12 C 0.3324(4) 1.1165(4) 0.16616(18) 0.0266(7) Uani 1 1 d . . .
C13 C 0.3557(4) 1.2659(4) 0.1804(2) 0.0320(7) Uani 1 1 d . . .
H13 H 0.2760 1.2938 0.1593 0.038 Uiso 1 1 calc R . .
C14 C 0.4956(5) 1.3760(4) 0.2257(2) 0.0442(9) Uani 1 1 d . . .
H14 H 0.5112 1.4788 0.2358 0.053 Uiso 1 1 calc R . .
C15 C 0.6130(5) 1.3344(5) 0.2562(3) 0.0492(10) Uani 1 1 d . . .
H15 H 0.7090 1.4092 0.2865 0.059 Uiso 1 1 calc R . .
C16 C 0.5901(4) 1.1864(5) 0.2425(2) 0.0439(9) Uani 1 1 d . . .
H16 H 0.6700 1.1585 0.2632 0.053 Uiso 1 1 calc R . .
C17 C 0.4509(4) 1.0780(4) 0.1987(2) 0.0345(8) Uani 1 1 d . . .
H17 H 0.4349 0.9754 0.1903 0.041 Uiso 1 1 calc R . .
C18 C -0.1700(4) 0.9148(4) 0.2696(2) 0.0283(7) Uani 1 1 d . . .
C19 C -0.2888(4) 0.8338(4) 0.2020(2) 0.0349(8) Uani 1 1 d . . .
H19 H -0.2691 0.8218 0.1499 0.042 Uiso 1 1 calc R . .
C20 C -0.4376(4) 0.7699(5) 0.2107(2) 0.0404(8) Uani 1 1 d . . .
H20 H -0.5185 0.7116 0.1644 0.049 Uiso 1 1 calc R . .
C21 C -0.4680(5) 0.7908(5) 0.2859(3) 0.0442(9) Uani 1 1 d . . .
H21 H -0.5696 0.7489 0.2914 0.053 Uiso 1 1 calc R . .
C22 C -0.3496(5) 0.8731(5) 0.3532(2) 0.0464(10) Uani 1 1 d . . .
H22 H -0.3701 0.8872 0.4051 0.056 Uiso 1 1 calc R . .
C23 C -0.2011(4) 0.9351(4) 0.3455(2) 0.0378(8) Uani 1 1 d . . .
H23 H -0.1204 0.9916 0.3920 0.045 Uiso 1 1 calc R . .
C24 C 0.0411(4) 1.1879(4) 0.24913(19) 0.0268(7) Uani 1 1 d . . .
C25 C -0.0453(4) 1.1968(4) 0.1811(2) 0.0311(7) Uani 1 1 d . . .
H25 H -0.1157 1.1081 0.1418 0.037 Uiso 1 1 calc R . .
C26 C -0.0285(5) 1.3359(4) 0.1706(2) 0.0395(8) Uani 1 1 d . . .
H26 H -0.0852 1.3425 0.1233 0.047 Uiso 1 1 calc R . .
C27 C 0.0708(5) 1.4651(4) 0.2290(2) 0.0416(9) Uani 1 1 d . . .
H27 H 0.0811 1.5602 0.2220 0.050 Uiso 1 1 calc R . .
C28 C 0.1549(4) 1.4562(4) 0.2974(2) 0.0377(8) Uani 1 1 d . . .
H28 H 0.2220 1.5452 0.3376 0.045 Uiso 1 1 calc R . .
C29 C 0.1418(4) 1.3177(4) 0.3077(2) 0.0352(8) Uani 1 1 d . . .
H29 H 0.2010 1.3115 0.3543 0.042 Uiso 1 1 calc R . .
Cl1 Cl 0.20744(9) 1.19216(9) -0.00997(5) 0.0326(2) Uani 1 1 d . . .
N1 N 0.1421(3) 1.0449(3) 0.34681(16) 0.0303(6) Uani 1 1 d . . .
O1 O 0.2231(3) 0.8149(3) 0.32683(16) 0.0402(6) Uani 1 1 d . . .
O2 O 0.3593(3) 1.0472(3) 0.44894(16) 0.0430(6) Uani 1 1 d . . .
O3 O 0.1104(3) 0.8814(3) 0.44533(16) 0.0456(7) Uani 1 1 d . . .
P1 P 0.15232(9) 0.96731(9) 0.10636(4) 0.02242(19) Uani 1 1 d . . .
P2 P 0.02588(9) 1.00997(9) 0.26550(5) 0.0246(2) Uani 1 1 d . . .
P3 P 0.20726(10) 0.93832(10) 0.38440(5) 0.0289(2) Uani 1 1 d . . .
Pd1 Pd 0.0000 1.0000 0.0000 0.02203(13) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 '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
P2 C1 P1 121.90(18) . . ?
P2 C1 H1A 106.9 . . ?
P1 C1 H1A 106.9 . . ?
P2 C1 H1B 106.9 . . ?
P1 C1 H1B 106.9 . . ?
H1A C1 H1B 106.7 . . ?
C3 C2 O2 109.9(4) . . ?
C3 C2 H2A 109.7 . . ?
O2 C2 H2A 109.7 . . ?
C3 C2 H2B 109.7 . . ?
O2 C2 H2B 109.7 . . ?
H2A C2 H2B 108.2 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 O3 119.5(7) . . ?
C5 C4 H4A 107.5 . . ?
O3 C4 H4A 107.5 . . ?
C5 C4 H4B 107.5 . . ?
O3 C4 H4B 107.5 . . ?
H4A C4 H4B 107.0 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 119.1(3) . . ?
C7 C6 P1 123.1(3) . . ?
C11 C6 P1 117.8(3) . . ?
C6 C7 C8 120.1(3) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C9 C8 C7 119.5(4) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C10 C9 C8 121.0(3) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 C11 119.6(3) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C10 C11 C6 120.7(3) . . ?
C10 C11 H11 119.7 . . ?
C6 C11 H11 119.7 . . ?
C13 C12 C17 118.9(3) . . ?
C13 C12 P1 122.2(3) . . ?
C17 C12 P1 118.9(3) . . ?
C12 C13 C14 120.2(4) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 119.7(4) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C16 C15 C14 120.3(4) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 119.8(4) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C12 121.1(4) . . ?
C16 C17 H17 119.4 . . ?
C12 C17 H17 119.4 . . ?
C19 C18 C23 119.5(3) . . ?
C19 C18 P2 123.7(3) . . ?
C23 C18 P2 116.7(3) . . ?
C18 C19 C20 119.8(3) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C21 C20 C19 120.5(4) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C22 119.6(4) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C21 C22 C23 120.5(4) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C18 120.1(4) . . ?
C22 C23 H23 119.9 . . ?
C18 C23 H23 119.9 . . ?
C25 C24 C29 120.4(3) . . ?
C25 C24 P2 121.7(3) . . ?
C29 C24 P2 117.9(3) . . ?
C24 C25 C26 119.7(3) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C27 C26 C25 120.1(3) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 120.3(3) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C28 C29 C24 119.4(3) . . ?
C28 C29 H29 120.3 . . ?
C24 C29 H29 120.3 . . ?
P2 N1 P3 130.61(19) . . ?
C2 O2 P3 120.2(3) . . ?
C4 O3 P3 121.9(4) . . ?
C12 P1 C6 102.62(15) . . ?
C12 P1 C1 105.01(15) . . ?
C6 P1 C1 103.29(15) . . ?
C12 P1 Pd1 121.57(11) . . ?
C6 P1 Pd1 104.93(10) . . ?
C1 P1 Pd1 116.98(11) . . ?
N1 P2 C24 106.92(16) . . ?
N1 P2 C18 112.29(15) . . ?
C24 P2 C18 106.75(15) . . ?
N1 P2 C1 113.54(15) . . ?
C24 P2 C1 111.20(15) . . ?
C18 P2 C1 106.00(15) . . ?
O1 P3 O2 114.49(16) . . ?
O1 P3 O3 112.37(16) . . ?
O2 P3 O3 97.32(15) . . ?
O1 P3 N1 116.63(15) . . ?
O2 P3 N1 105.42(16) . . ?
O3 P3 N1 108.71(16) . . ?
Cl1 Pd1 Cl1 180.00(4) 2_575 . ?
Cl1 Pd1 P1 90.41(3) 2_575 2_575 ?
Cl1 Pd1 P1 89.59(3) . 2_575 ?
Cl1 Pd1 P1 89.59(3) 2_575 . ?
Cl1 Pd1 P1 90.41(3) . . ?
P1 Pd1 P1 180.00(4) 2_575 . ?
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 P2 1.829(3) . ?
C1 P1 1.836(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.428(8) . ?
C2 O2 1.440(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.353(9) . ?
C4 O3 1.390(7) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.385(5) . ?
C6 C11 1.397(5) . ?
C6 P1 1.834(3) . ?
C7 C8 1.403(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.377(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.374(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(5) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.380(5) . ?
C12 C17 1.401(5) . ?
C12 P1 1.826(3) . ?
C13 C14 1.393(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.401(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.367(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(5) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.386(5) . ?
C18 C23 1.393(5) . ?
C18 P2 1.813(3) . ?
C19 C20 1.396(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.379(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.386(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.386(5) . ?
C24 C29 1.392(5) . ?
C24 P2 1.807(3) . ?
C25 C26 1.388(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.384(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(5) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
Cl1 Pd1 2.2969(8) . ?
N1 P2 1.567(3) . ?
N1 P3 1.602(3) . ?
O1 P3 1.477(3) . ?
O2 P3 1.579(3) . ?
O3 P3 1.585(3) . ?
P1 Pd1 2.3446(8) . ?
Pd1 Cl1 2.2969(8) 2_575 ?
Pd1 P1 2.3446(8) 2_575 ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 C6 C7 C8 1.4(5) . . . . ?
P1 C6 C7 C8 -178.7(3) . . . . ?
C6 C7 C8 C9 -0.2(5) . . . . ?
C7 C8 C9 C10 -0.5(6) . . . . ?
C8 C9 C10 C11 0.2(6) . . . . ?
C9 C10 C11 C6 1.0(6) . . . . ?
C7 C6 C11 C10 -1.7(5) . . . . ?
P1 C6 C11 C10 178.3(3) . . . . ?
C17 C12 C13 C14 0.7(5) . . . . ?
P1 C12 C13 C14 -179.3(3) . . . . ?
C12 C13 C14 C15 0.5(6) . . . . ?
C13 C14 C15 C16 -0.8(6) . . . . ?
C14 C15 C16 C17 -0.1(6) . . . . ?
C15 C16 C17 C12 1.3(6) . . . . ?
C13 C12 C17 C16 -1.6(5) . . . . ?
P1 C12 C17 C16 178.4(3) . . . . ?
C23 C18 C19 C20 -1.8(5) . . . . ?
P2 C18 C19 C20 -177.0(3) . . . . ?
C18 C19 C20 C21 2.1(6) . . . . ?
C19 C20 C21 C22 -1.3(6) . . . . ?
C20 C21 C22 C23 0.3(6) . . . . ?
C21 C22 C23 C18 -0.1(6) . . . . ?
C19 C18 C23 C22 0.8(6) . . . . ?
P2 C18 C23 C22 176.3(3) . . . . ?
C29 C24 C25 C26 1.4(5) . . . . ?
P2 C24 C25 C26 -179.2(3) . . . . ?
C24 C25 C26 C27 -1.9(6) . . . . ?
C25 C26 C27 C28 0.8(6) . . . . ?
C26 C27 C28 C29 0.7(6) . . . . ?
C27 C28 C29 C24 -1.1(6) . . . . ?
C25 C24 C29 C28 0.1(5) . . . . ?
P2 C24 C29 C28 -179.3(3) . . . . ?
C3 C2 O2 P3 143.5(6) . . . . ?
C5 C4 O3 P3 -173.9(7) . . . . ?
C13 C12 P1 C6 148.0(3) . . . . ?
C17 C12 P1 C6 -32.0(3) . . . . ?
C13 C12 P1 C1 -104.3(3) . . . . ?
C17 C12 P1 C1 75.7(3) . . . . ?
C13 C12 P1 Pd1 31.4(3) . . . . ?
C17 C12 P1 Pd1 -148.6(2) . . . . ?
C7 C6 P1 C12 123.2(3) . . . . ?
C11 C6 P1 C12 -56.9(3) . . . . ?
C7 C6 P1 C1 14.2(3) . . . . ?
C11 C6 P1 C1 -165.9(3) . . . . ?
C7 C6 P1 Pd1 -108.9(3) . . . . ?
C11 C6 P1 Pd1 71.1(3) . . . . ?
P2 C1 P1 C12 53.1(2) . . . . ?
P2 C1 P1 C6 160.32(19) . . . . ?
P2 C1 P1 Pd1 -85.0(2) . . . . ?
P3 N1 P2 C24 -165.5(2) . . . . ?
P3 N1 P2 C18 77.8(3) . . . . ?
P3 N1 P2 C1 -42.4(3) . . . . ?
C25 C24 P2 N1 178.8(3) . . . . ?
C29 C24 P2 N1 -1.8(3) . . . . ?
C25 C24 P2 C18 -60.8(3) . . . . ?
C29 C24 P2 C18 118.5(3) . . . . ?
C25 C24 P2 C1 54.4(3) . . . . ?
C29 C24 P2 C1 -126.3(3) . . . . ?
C19 C18 P2 N1 -160.6(3) . . . . ?
C23 C18 P2 N1 24.1(3) . . . . ?
C19 C18 P2 C24 82.6(3) . . . . ?
C23 C18 P2 C24 -92.7(3) . . . . ?
C19 C18 P2 C1 -36.1(3) . . . . ?
C23 C18 P2 C1 148.6(3) . . . . ?
P1 C1 P2 N1 -101.8(2) . . . . ?
P1 C1 P2 C24 18.8(3) . . . . ?
P1 C1 P2 C18 134.4(2) . . . . ?
C2 O2 P3 O1 74.7(4) . . . . ?
C2 O2 P3 O3 -166.6(3) . . . . ?
C2 O2 P3 N1 -54.9(4) . . . . ?
C4 O3 P3 O1 -19.5(6) . . . . ?
C4 O3 P3 O2 -139.8(6) . . . . ?
C4 O3 P3 N1 111.2(6) . . . . ?
P2 N1 P3 O1 31.6(3) . . . . ?
P2 N1 P3 O2 159.9(2) . . . . ?
P2 N1 P3 O3 -96.7(3) . . . . ?
C12 P1 Pd1 Cl1 -158.65(12) . . . 2_575 ?
C6 P1 Pd1 Cl1 85.93(12) . . . 2_575 ?
C1 P1 Pd1 Cl1 -27.81(12) . . . 2_575 ?
C12 P1 Pd1 Cl1 21.35(12) . . . . ?
C6 P1 Pd1 Cl1 -94.07(12) . . . . ?
C1 P1 Pd1 Cl1 152.19(12) . . . . ?
C12 P1 Pd1 P1 40(100) . . . 2_575 ?
C6 P1 Pd1 P1 -76(100) . . . 2_575 ?
C1 P1 Pd1 P1 171(100) . . . 2_575 ?
