#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:34:13 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178571 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/81/4068139.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_4068139
loop_
_publ_author_name
'Hayashi, Yumi'
'Wada, Shinji'
'Yamashita, Makoto'
'Nozaki, Kyoko'
_publ_section_title
;
 Syntheses and Thermolysis of Arylpalladium Hydroxide Complexes:
 Implications for C(sp2)--OH Bond-Forming Reductive Elimination To
 Generate Phenol Derivatives
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              1073
_journal_paper_doi               10.1021/om201142s
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C31 H52 I N O2 P2 Pd'
_chemical_formula_weight         765.98
_chemical_name_systematic
; 
 ? 
;
_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                108.242(4)
_cell_angle_beta                 90.661(4)
_cell_angle_gamma                92.202(4)
_cell_formula_units_Z            2
_cell_length_a                   9.713(3)
_cell_length_b                   11.476(3)
_cell_length_c                   16.032(5)
_cell_measurement_reflns_used    5746
_cell_measurement_temperature    103.1500
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.2857
_cell_volume                     1695.4(9)
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_collection       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_molecular_graphics    ORTEP-III
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'RIGAKU/MSC Meacury CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10967
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         3.28
_exptl_absorpt_coefficient_mu    1.579
_exptl_absorpt_correction_T_max  0.5708
_exptl_absorpt_correction_T_min  0.4510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5811
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0208
_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)+(0.0207P)²+0.1243P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0496
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                5338
_reflns_number_total             5811
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om201142s_si_002.cif
_cod_data_source_block           4-NO2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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        1695.4(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4068139
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
Pd1 Pd 0.510380(16) -0.020042(14) 0.263452(10) 0.01039(5) Uani 1 1 d .
I1 I 0.256203(14) 0.054534(13) 0.308355(9) 0.01812(5) Uani 1 1 d .
C1 C 0.4061(2) -0.18626(19) 0.23479(14) 0.0150(5) Uani 1 1 d .
C2 C 0.3653(2) -0.2468(2) 0.29503(14) 0.0156(5) Uani 1 1 d .
H1 H 0.3948 -0.2132 0.3548 0.019 Uiso 1 1 calc R
C3 C 0.2838(2) -0.3537(2) 0.26971(16) 0.0200(5) Uani 1 1 d .
H2 H 0.2592 -0.3940 0.3113 0.024 Uiso 1 1 calc R
C4 C 0.2381(2) -0.4016(2) 0.18318(15) 0.0192(5) Uani 1 1 d .
C5 C 0.2723(2) -0.3437(2) 0.12168(15) 0.0198(5) Uani 1 1 d .
H3 H 0.2393 -0.3764 0.0626 0.024 Uiso 1 1 calc R
C6 C 0.3555(2) -0.2375(2) 0.14825(14) 0.0172(5) Uani 1 1 d .
H4 H 0.3793 -0.1978 0.1062 0.021 Uiso 1 1 calc R
N1 N 0.1487(2) -0.51326(18) 0.15612(15) 0.0269(5) Uani 1 1 d .
O1 O 0.10894(19) -0.55373(16) 0.07922(12) 0.0357(5) Uani 1 1 d .
O2 O 0.1159(2) -0.56179(19) 0.21159(13) 0.0504(6) Uani 1 1 d .
P1 P 0.71976(6) -0.11234(5) 0.26071(4) 0.01183(12) Uani 1 1 d .
C7 C 0.8687(2) -0.01320(19) 0.25273(15) 0.0154(5) Uani 1 1 d .
H5 H 0.9525 -0.0492 0.2683 0.019 Uiso 1 1 calc R
H6 H 0.8760 -0.0167 0.1905 0.019 Uiso 1 1 calc R
C8 C 0.8709(2) 0.1219(2) 0.30847(15) 0.0176(5) Uani 1 1 d .
H7 H 0.8295 0.1291 0.3659 0.021 Uiso 1 1 calc R
H8 H 0.9676 0.1543 0.3195 0.021 Uiso 1 1 calc R
C9 C 0.7917(2) 0.1986(2) 0.26327(15) 0.0181(5) Uani 1 1 d .
H9 H 0.8187 0.1756 0.2010 0.022 Uiso 1 1 calc R
H10 H 0.8199 0.2862 0.2912 0.022 Uiso 1 1 calc R
P2 P 0.60248(6) 0.18185(5) 0.26668(4) 0.01218(12) Uani 1 1 d .
C10 C 0.7558(2) -0.2537(2) 0.16508(14) 0.0170(5) Uani 1 1 d .
C11 C 0.9084(2) -0.2851(2) 0.16209(16) 0.0239(5) Uani 1 1 d .
H11 H 0.9351 -0.3007 0.2167 0.036 Uiso 1 1 calc R
H12 H 0.9652 -0.2162 0.1556 0.036 Uiso 1 1 calc R
H13 H 0.9222 -0.3586 0.1120 0.036 Uiso 1 1 calc R
C12 C 0.6707(2) -0.3709(2) 0.16180(16) 0.0225(5) Uani 1 1 d .
H14 H 0.6757 -0.4311 0.1031 0.034 Uiso 1 1 calc R
H15 H 0.5745 -0.3509 0.1746 0.034 Uiso 1 1 calc R
H16 H 0.7078 -0.4055 0.2056 0.034 Uiso 1 1 calc R
C13 C 0.7174(2) -0.2209(2) 0.08193(14) 0.0206(5) Uani 1 1 d .
H17 H 0.7398 -0.2885 0.0297 0.031 Uiso 1 1 calc R
H18 H 0.7696 -0.1460 0.0821 0.031 Uiso 1 1 calc R
H19 H 0.6185 -0.2073 0.0811 0.031 Uiso 1 1 calc R
C14 C 0.7511(2) -0.1361(2) 0.37180(15) 0.0179(5) Uani 1 1 d .
C15 C 0.6652(3) -0.0441(2) 0.43893(15) 0.0228(5) Uani 1 1 d .
H20 H 0.6787 -0.0542 0.4969 0.034 Uiso 1 1 calc R
H21 H 0.5675 -0.0591 0.4213 0.034 Uiso 1 1 calc R
H22 H 0.6945 0.0396 0.4415 0.034 Uiso 1 1 calc R
C16 C 0.9037(2) -0.1130(2) 0.40253(16) 0.0252(6) Uani 1 1 d .
H23 H 0.9323 -0.0276 0.4096 0.038 Uiso 1 1 calc R
H24 H 0.9609 -0.1681 0.3586 0.038 Uiso 1 1 calc R
H25 H 0.9149 -0.1288 0.4588 0.038 Uiso 1 1 calc R
C17 C 0.7076(2) -0.2663(2) 0.37141(16) 0.0224(5) Uani 1 1 d .
H26 H 0.7725 -0.3247 0.3370 0.034 Uiso 1 1 calc R
H27 H 0.6148 -0.2881 0.3451 0.034 Uiso 1 1 calc R
H28 H 0.7076 -0.2692 0.4318 0.034 Uiso 1 1 calc R
C18 C 0.5516(2) 0.2050(2) 0.15878(15) 0.0197(5) Uani 1 1 d .
C19 C 0.6107(3) 0.0979(2) 0.08656(15) 0.0279(6) Uani 1 1 d .
H29 H 0.5743 0.0199 0.0921 0.042 Uiso 1 1 calc R
H30 H 0.7114 0.1021 0.0927 0.042 Uiso 1 1 calc R
H31 H 0.5840 0.1034 0.0288 0.042 Uiso 1 1 calc R
C20 C 0.3952(3) 0.1956(2) 0.14290(16) 0.0285(6) Uani 1 1 d .
H32 H 0.3744 0.1990 0.0838 0.043 Uiso 1 1 calc R
H33 H 0.3531 0.2641 0.1864 0.043 Uiso 1 1 calc R
H34 H 0.3581 0.1178 0.1483 0.043 Uiso 1 1 calc R
C21 C 0.6099(3) 0.3268(2) 0.15029(17) 0.0302(6) Uani 1 1 d .
H35 H 0.5888 0.3303 0.0912 0.045 Uiso 1 1 calc R
H36 H 0.7101 0.3325 0.1602 0.045 Uiso 1 1 calc R
H37 H 0.5682 0.3953 0.1940 0.045 Uiso 1 1 calc R
C22 C 0.5612(2) 0.3197(2) 0.36402(14) 0.0171(5) Uani 1 1 d .
C23 C 0.4191(2) 0.3691(2) 0.35349(16) 0.0250(6) Uani 1 1 d .
H38 H 0.3955 0.4306 0.4087 0.038 Uiso 1 1 calc R
H39 H 0.3494 0.3013 0.3385 0.038 Uiso 1 1 calc R
H40 H 0.4219 0.4070 0.3065 0.038 Uiso 1 1 calc R
C24 C 0.6675(2) 0.4278(2) 0.38220(16) 0.0250(6) Uani 1 1 d .
H41 H 0.6796 0.4507 0.3287 0.038 Uiso 1 1 calc R
H42 H 0.7558 0.4036 0.4004 0.038 Uiso 1 1 calc R
H43 H 0.6349 0.4979 0.4291 0.038 Uiso 1 1 calc R
C25 C 0.5609(2) 0.2752(2) 0.44523(14) 0.0231(5) Uani 1 1 d .
H44 H 0.5381 0.3430 0.4972 0.035 Uiso 1 1 calc R
H45 H 0.6523 0.2469 0.4539 0.035 Uiso 1 1 calc R
H46 H 0.4921 0.2074 0.4362 0.035 Uiso 1 1 calc R
C26 C -0.0153(3) 0.4340(2) 0.55801(17) 0.0287(6) Uani 1 1 d .
H47 H -0.0257 0.3885 0.5980 0.034 Uiso 1 1 calc R
C27 C 0.0462(2) 0.3822(2) 0.47856(17) 0.0270(6) Uani 1 1 d .
H48 H 0.0778 0.3011 0.4640 0.032 Uiso 1 1 calc R
C28 C 0.0620(2) 0.4479(2) 0.42030(17) 0.0292(6) Uani 1 1 d .
H49 H 0.1045 0.4124 0.3656 0.035 Uiso 1 1 calc R
C29 C -0.0262(3) 0.1215(3) 0.01377(18) 0.0367(7) Uani 1 1 d .
H50 H -0.0441 0.2054 0.0231 0.044 Uiso 1 1 calc R
C30 C 0.0516(3) 0.0887(3) 0.07449(17) 0.0371(7) Uani 1 1 d .
H51 H 0.0868 0.1500 0.1259 0.045 Uiso 1 1 calc R
C31 C 0.0784(3) -0.0324(3) 0.06085(18) 0.0368(7) Uani 1 1 d .
H52 H 0.1326 -0.0549 0.1026 0.044 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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
C1 Pd1 P1 90.97(6) . .
C1 Pd1 P2 165.91(6) . .
P1 Pd1 P2 97.45(3) . .
C1 Pd1 I1 80.11(6) . .
P1 Pd1 I1 161.408(16) . .
P2 Pd1 I1 94.75(2) . .
C6 C1 C2 116.6(2) . .
C6 C1 Pd1 116.27(15) . .
C2 C1 Pd1 126.60(16) . .
C3 C2 C1 121.8(2) . .
C3 C2 H1 119.1 . .
C1 C2 H1 119.1 . .
C2 C3 C4 119.3(2) . .
C2 C3 H2 120.3 . .
C4 C3 H2 120.3 . .
C3 C4 C5 121.1(2) . .
C3 C4 N1 119.8(2) . .
C5 C4 N1 119.1(2) . .
C6 C5 C4 118.6(2) . .
C6 C5 H3 120.7 . .
C4 C5 H3 120.7 . .
C5 C6 C1 122.5(2) . .
C5 C6 H4 118.8 . .
C1 C6 H4 118.8 . .
O1 N1 O2 122.8(2) . .
O1 N1 C4 118.6(2) . .
O2 N1 C4 118.5(2) . .
C7 P1 C10 99.26(10) . .
C7 P1 C14 102.70(10) . .
C10 P1 C14 112.54(10) . .
C7 P1 Pd1 113.32(7) . .
C10 P1 Pd1 119.08(7) . .
C14 P1 Pd1 108.54(7) . .
C8 C7 P1 118.15(15) . .
C8 C7 H5 107.8 . .
P1 C7 H5 107.8 . .
C8 C7 H6 107.8 . .
P1 C7 H6 107.8 . .
H5 C7 H6 107.1 . .
C9 C8 C7 111.62(18) . .
C9 C8 H7 109.3 . .
C7 C8 H7 109.3 . .
C9 C8 H8 109.3 . .
C7 C8 H8 109.3 . .
H7 C8 H8 108.0 . .
C8 C9 P2 114.97(15) . .
C8 C9 H9 108.5 . .
P2 C9 H9 108.5 . .
C8 C9 H10 108.5 . .
P2 C9 H10 108.5 . .
H9 C9 H10 107.5 . .
C9 P2 C18 100.46(10) . .
C9 P2 C22 101.96(10) . .
C18 P2 C22 111.50(10) . .
C9 P2 Pd1 115.76(7) . .
C18 P2 Pd1 107.49(7) . .
C22 P2 Pd1 118.29(7) . .
C11 C10 C12 107.15(18) . .
C11 C10 C13 109.07(18) . .
C12 C10 C13 107.29(18) . .
C11 C10 P1 112.24(16) . .
C12 C10 P1 115.43(16) . .
C13 C10 P1 105.42(15) . .
C10 C11 H11 109.5 . .
C10 C11 H12 109.5 . .
H11 C11 H12 109.5 . .
C10 C11 H13 109.5 . .
H11 C11 H13 109.5 . .
H12 C11 H13 109.5 . .
C10 C12 H14 109.5 . .
C10 C12 H15 109.5 . .
H14 C12 H15 109.5 . .
C10 C12 H16 109.5 . .
H14 C12 H16 109.5 . .
H15 C12 H16 109.5 . .
C10 C13 H17 109.5 . .
C10 C13 H18 109.5 . .
H17 C13 H18 109.5 . .
C10 C13 H19 109.5 . .
H17 C13 H19 109.5 . .
H18 C13 H19 109.5 . .
C15 C14 C17 108.61(19) . .
C15 C14 C16 108.37(19) . .
C17 C14 C16 107.25(18) . .
C15 C14 P1 107.34(15) . .
C17 C14 P1 112.51(16) . .
C16 C14 P1 112.62(15) . .
C14 C15 H20 109.5 . .
C14 C15 H21 109.5 . .
H20 C15 H21 109.5 . .
C14 C15 H22 109.5 . .
H20 C15 H22 109.5 . .
H21 C15 H22 109.5 . .
C14 C16 H23 109.5 . .
C14 C16 H24 109.5 . .
H23 C16 H24 109.5 . .
C14 C16 H25 109.5 . .
H23 C16 H25 109.5 . .
H24 C16 H25 109.5 . .
C14 C17 H26 109.5 . .
C14 C17 H27 109.5 . .
H26 C17 H27 109.5 . .
C14 C17 H28 109.5 . .
H26 C17 H28 109.5 . .
H27 C17 H28 109.5 . .
C20 C18 C21 109.6(2) . .
C20 C18 C19 106.54(19) . .
C21 C18 C19 109.2(2) . .
C20 C18 P2 112.47(16) . .
C21 C18 P2 112.79(16) . .
C19 C18 P2 105.95(16) . .
C18 C19 H29 109.5 . .
C18 C19 H30 109.5 . .
H29 C19 H30 109.5 . .
C18 C19 H31 109.5 . .
H29 C19 H31 109.5 . .
H30 C19 H31 109.5 . .
C18 C20 H32 109.5 . .
C18 C20 H33 109.5 . .
H32 C20 H33 109.5 . .
C18 C20 H34 109.5 . .
H32 C20 H34 109.5 . .
H33 C20 H34 109.5 . .
C18 C21 H35 109.5 . .
C18 C21 H36 109.5 . .
H35 C21 H36 109.5 . .
C18 C21 H37 109.5 . .
H35 C21 H37 109.5 . .
H36 C21 H37 109.5 . .
C24 C22 C23 107.39(18) . .
C24 C22 C25 107.50(18) . .
C23 C22 C25 108.94(19) . .
C24 C22 P2 114.11(16) . .
C23 C22 P2 112.29(15) . .
C25 C22 P2 106.43(15) . .
C22 C23 H38 109.5 . .
C22 C23 H39 109.5 . .
H38 C23 H39 109.5 . .
C22 C23 H40 109.5 . .
H38 C23 H40 109.5 . .
H39 C23 H40 109.5 . .
C22 C24 H41 109.5 . .
C22 C24 H42 109.5 . .
H41 C24 H42 109.5 . .
C22 C24 H43 109.5 . .
H41 C24 H43 109.5 . .
H42 C24 H43 109.5 . .
C22 C25 H44 109.5 . .
C22 C25 H45 109.5 . .
H44 C25 H45 109.5 . .
C22 C25 H46 109.5 . .
H44 C25 H46 109.5 . .
H45 C25 H46 109.5 . .
C27 C26 C28 120.3(2) . 2_566
C27 C26 H47 119.8 . .
C28 C26 H47 119.8 2_566 .
C28 C27 C26 120.1(2) . .
C28 C27 H48 119.9 . .
C26 C27 H48 119.9 . .
C27 C28 C26 119.6(2) . 2_566
C27 C28 H49 120.2 . .
C26 C28 H49 120.2 2_566 .
C30 C29 C31 120.0(3) . 2
C30 C29 H50 120.0 . .
C31 C29 H50 120.0 2 .
C31 C30 C29 120.1(3) . .
C31 C30 H51 120.0 . .
C29 C30 H51 120.0 . .
C30 C31 C29 119.9(3) . 2
C30 C31 H52 120.0 . .
C29 C31 H52 120.0 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C1 2.042(2) .
Pd1 P1 2.3234(7) .
Pd1 P2 2.4364(8) .
Pd1 I1 2.6764(6) .
C1 C6 1.401(3) .
C1 C2 1.407(3) .
C2 C3 1.379(3) .
C2 H1 0.9500 .
C3 C4 1.383(3) .
C3 H2 0.9500 .
C4 C5 1.387(3) .
C4 N1 1.463(3) .
C5 C6 1.383(3) .
C5 H3 0.9500 .
C6 H4 0.9500 .
N1 O1 1.225(3) .
N1 O2 1.227(3) .
P1 C7 1.836(2) .
P1 C10 1.898(2) .
P1 C14 1.907(2) .
C7 C8 1.527(3) .
C7 H5 0.9900 .
C7 H6 0.9900 .
C8 C9 1.527(3) .
C8 H7 0.9900 .
C8 H8 0.9900 .
C9 P2 1.844(2) .
C9 H9 0.9900 .
C9 H10 0.9900 .
P2 C18 1.893(2) .
P2 C22 1.901(2) .
C10 C11 1.537(3) .
C10 C12 1.538(3) .
C10 C13 1.540(3) .
C11 H11 0.9800 .
C11 H12 0.9800 .
C11 H13 0.9800 .
C12 H14 0.9800 .
C12 H15 0.9800 .
C12 H16 0.9800 .
C13 H17 0.9800 .
C13 H18 0.9800 .
C13 H19 0.9800 .
C14 C15 1.531(3) .
C14 C17 1.535(3) .
C14 C16 1.543(3) .
C15 H20 0.9800 .
C15 H21 0.9800 .
C15 H22 0.9800 .
C16 H23 0.9800 .
C16 H24 0.9800 .
C16 H25 0.9800 .
C17 H26 0.9800 .
C17 H27 0.9800 .
C17 H28 0.9800 .
C18 C20 1.531(3) .
C18 C21 1.534(3) .
C18 C19 1.536(3) .
C19 H29 0.9800 .
C19 H30 0.9800 .
C19 H31 0.9800 .
C20 H32 0.9800 .
C20 H33 0.9800 .
C20 H34 0.9800 .
C21 H35 0.9800 .
C21 H36 0.9800 .
C21 H37 0.9800 .
C22 C24 1.535(3) .
C22 C23 1.540(3) .
C22 C25 1.540(3) .
C23 H38 0.9800 .
C23 H39 0.9800 .
C23 H40 0.9800 .
C24 H41 0.9800 .
C24 H42 0.9800 .
C24 H43 0.9800 .
C25 H44 0.9800 .
C25 H45 0.9800 .
C25 H46 0.9800 .
C26 C27 1.380(4) .
C26 C28 1.385(3) 2_566
C26 H47 0.9500 .
C27 C28 1.378(4) .
C27 H48 0.9500 .
C28 C26 1.385(3) 2_566
C28 H49 0.9500 .
C29 C30 1.377(4) .
C29 C31 1.384(4) 2
C29 H50 0.9500 .
C30 C31 1.373(4) .
C30 H51 0.9500 .
C31 C29 1.384(4) 2
C31 H52 0.9500 .
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_4
P1 Pd1 C1 C6 -103.88(16) . .
P2 Pd1 C1 C6 23.0(4) . .
I1 Pd1 C1 C6 92.52(16) . .
P1 Pd1 C1 C2 84.58(18) . .
P2 Pd1 C1 C2 -148.55(18) . .
I1 Pd1 C1 C2 -79.02(18) . .
C6 C1 C2 C3 2.2(3) . .
Pd1 C1 C2 C3 173.76(17) . .
C1 C2 C3 C4 -1.4(3) . .
C2 C3 C4 C5 -0.4(3) . .
C2 C3 C4 N1 -178.5(2) . .
C3 C4 C5 C6 1.1(3) . .
N1 C4 C5 C6 179.2(2) . .
C4 C5 C6 C1 -0.2(3) . .
C2 C1 C6 C5 -1.5(3) . .
Pd1 C1 C6 C5 -173.87(17) . .
C3 C4 N1 O1 179.6(2) . .
C5 C4 N1 O1 1.5(3) . .
C3 C4 N1 O2 0.2(3) . .
C5 C4 N1 O2 -178.0(2) . .
C1 Pd1 P1 C7 163.95(10) . .
P2 Pd1 P1 C7 -4.72(8) . .
I1 Pd1 P1 C7 -135.29(8) . .
C1 Pd1 P1 C10 47.83(10) . .
P2 Pd1 P1 C10 -120.84(8) . .
I1 Pd1 P1 C10 108.59(9) . .
C1 Pd1 P1 C14 -82.65(10) . .
P2 Pd1 P1 C14 108.68(7) . .
I1 Pd1 P1 C14 -21.90(10) . .
C10 P1 C7 C8 169.68(17) . .
C14 P1 C7 C8 -74.54(18) . .
Pd1 P1 C7 C8 42.34(18) . .
P1 C7 C8 C9 -84.6(2) . .
C7 C8 C9 P2 76.1(2) . .
C8 C9 P2 C18 -148.13(17) . .
C8 C9 P2 C22 97.04(18) . .
C8 C9 P2 Pd1 -32.76(19) . .
C1 Pd1 P2 C9 -124.8(3) . .
P1 Pd1 P2 C9 1.46(9) . .
I1 Pd1 P2 C9 167.40(8) . .
C1 Pd1 P2 C18 -13.5(3) . .
P1 Pd1 P2 C18 112.77(8) . .
I1 Pd1 P2 C18 -81.29(8) . .
C1 Pd1 P2 C22 113.8(3) . .
P1 Pd1 P2 C22 -119.94(8) . .
I1 Pd1 P2 C22 46.00(8) . .
C7 P1 C10 C11 43.43(17) . .
C14 P1 C10 C11 -64.55(18) . .
Pd1 P1 C10 C11 166.77(13) . .
C7 P1 C10 C12 166.60(16) . .
C14 P1 C10 C12 58.62(19) . .
Pd1 P1 C10 C12 -70.05(17) . .
C7 P1 C10 C13 -75.19(16) . .
C14 P1 C10 C13 176.83(14) . .
Pd1 P1 C10 C13 48.15(16) . .
C7 P1 C14 C15 97.52(16) . .
C10 P1 C14 C15 -156.70(15) . .
Pd1 P1 C14 C15 -22.72(16) . .
C7 P1 C14 C17 -143.05(16) . .
C10 P1 C14 C17 -37.26(19) . .
Pd1 P1 C14 C17 96.71(15) . .
C7 P1 C14 C16 -21.68(19) . .
C10 P1 C14 C16 84.10(18) . .
Pd1 P1 C14 C16 -141.92(15) . .
C9 P2 C18 C20 179.89(17) . .
C22 P2 C18 C20 -72.71(19) . .
Pd1 P2 C18 C20 58.45(18) . .
C9 P2 C18 C21 -55.6(2) . .
C22 P2 C18 C21 51.8(2) . .
Pd1 P2 C18 C21 -177.01(16) . .
C9 P2 C18 C19 63.87(17) . .
C22 P2 C18 C19 171.28(15) . .
Pd1 P2 C18 C19 -57.57(16) . .
C9 P2 C22 C24 26.51(18) . .
C18 P2 C22 C24 -79.92(18) . .
Pd1 P2 C22 C24 154.71(14) . .
C9 P2 C22 C23 149.01(16) . .
C18 P2 C22 C23 42.58(19) . .
Pd1 P2 C22 C23 -82.78(16) . .
C9 P2 C22 C25 -91.88(16) . .
C18 P2 C22 C25 161.70(14) . .
Pd1 P2 C22 C25 36.33(16) . .
C28 C26 C27 C28 0.2(4) 2_566 .
C26 C27 C28 C26 -0.2(4) . 2_566
C31 C29 C30 C31 0.4(4) 2 .
C29 C30 C31 C29 -0.4(4) . 2
