#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:00:26 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180118 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/16/7101619.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_7101619
loop_
_publ_author_name
'Agostinho, Magno'
'Braunstein, Pierre'
_publ_section_title
;
 Structurally characterized intermediates in the stepwise insertion of
 CO-ethylene or CO-methyl acrylate into the metal-carbon bond of Pd(II)
 complexes stabilized by (phosphinomethyl)oxazoline ligands.
;
_journal_issue                   1
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              58
_journal_page_last               60
_journal_paper_doi               10.1039/b613865a
_journal_year                    2007
_chemical_formula_moiety         'C17 H19 Cl N O P Pd'
_chemical_formula_sum            'C17 H19 Cl N O P Pd'
_chemical_formula_weight         426.15
_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                82.744(4)
_cell_angle_beta                 83.051(4)
_cell_angle_gamma                86.4320(16)
_cell_formula_units_Z            4
_cell_length_a                   8.5550(4)
_cell_length_b                   8.8270(5)
_cell_length_c                   22.6280(9)
_cell_measurement_reflns_used    2108
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     1680.70(14)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.836
_diffrn_measured_fraction_theta_max 0.836
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'π scans'
_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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.1103
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8059
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.38
_exptl_absorpt_coefficient_mu    1.358
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.790
_refine_diff_density_min         -2.706
_refine_diff_density_rms         0.235
_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     397
_refine_ls_number_reflns         6429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.1357
_refine_ls_R_factor_gt           0.0956
_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)+(0.0600P)²+50.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2505
_refine_ls_wR_factor_ref         0.2694
_reflns_number_gt                4199
_reflns_number_total             6429
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b613865a.txt
_cod_data_source_block           compound_2a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7101619
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
Pd1 Pd 0.44031(13) 0.47446(12) 0.10033(5) 0.0306(3) Uani 1 1 d
Pd2 Pd 0.49983(12) 0.57848(12) 0.40350(5) 0.0293(3) Uani 1 1 d
Cl1 Cl 0.3147(5) 0.7206(4) 0.07903(18) 0.0474(10) Uani 1 1 d
Cl2 Cl 0.2563(4) 0.7115(5) 0.42972(18) 0.0433(9) Uani 1 1 d
P1 P 0.5365(4) 0.2368(4) 0.11846(15) 0.0255(7) Uani 1 1 d
P2 P 0.7400(4) 0.4736(4) 0.38074(16) 0.0262(7) Uani 1 1 d
O1 O 0.2698(12) 0.1773(12) -0.0070(5) 0.043(3) Uani 1 1 d
O2 O 0.8320(12) 0.7309(12) 0.5033(5) 0.039(2) Uani 1 1 d
N1 N 0.3149(13) 0.3751(14) 0.0419(6) 0.036(3) Uani 1 1 d
N2 N 0.6165(13) 0.6898(13) 0.4608(5) 0.033(3) Uani 1 1 d
C1 C 0.1813(18) 0.432(2) 0.0084(9) 0.051(5) Uani 1 1 d
H1A H 0.2081 0.5253 -0.0192 0.062 Uiso 1 1 calc
H1B H 0.0867 0.4556 0.0361 0.062 Uiso 1 1 calc
C2 C 0.154(2) 0.303(2) -0.0258(8) 0.052(4) Uani 1 1 d
H2A H 0.0444 0.2695 -0.0155 0.063 Uiso 1 1 calc
H2B H 0.1720 0.3346 -0.0695 0.063 Uiso 1 1 calc
C3 C 0.3504(16) 0.2366(17) 0.0306(6) 0.031(3) Uani 1 1 d
C4 C 0.4789(15) 0.1429(16) 0.0565(6) 0.029(3) Uani 1 1 d
H4A H 0.5701 0.1335 0.0255 0.035 Uiso 1 1 calc
H4B H 0.4434 0.0391 0.0717 0.035 Uiso 1 1 calc
C5 C 0.4434(15) 0.1305(16) 0.1859(6) 0.028(3) Uani 1 1 d
C6 C 0.3589(18) 0.2036(18) 0.2310(7) 0.039(3) Uani 1 1 d
H6 H 0.3501 0.3121 0.2269 0.046 Uiso 1 1 calc
C7 C 0.288(2) 0.122(2) 0.2813(7) 0.051(5) Uani 1 1 d
H7 H 0.2308 0.1754 0.3116 0.062 Uiso 1 1 calc
C8 C 0.2981(19) -0.0365(19) 0.2893(8) 0.046(4) Uani 1 1 d
H8 H 0.2500 -0.0927 0.3247 0.055 Uiso 1 1 calc
C9 C 0.382(2) -0.1105(19) 0.2432(8) 0.048(4) Uani 1 1 d
H9 H 0.3869 -0.2191 0.2466 0.058 Uiso 1 1 calc
C10 C 0.4550(17) -0.0318(17) 0.1946(7) 0.039(4) Uani 1 1 d
H10 H 0.5160 -0.0853 0.1653 0.047 Uiso 1 1 calc
C11 C 0.7447(15) 0.1812(16) 0.1222(7) 0.031(3) Uani 1 1 d
C12 C 0.8314(17) 0.0897(19) 0.0856(7) 0.042(4) Uani 1 1 d
H12 H 0.7845 0.0583 0.0535 0.050 Uiso 1 1 calc
C13 C 0.9882(17) 0.0390(19) 0.0930(9) 0.049(4) Uani 1 1 d
H13 H 1.0457 -0.0269 0.0672 0.059 Uiso 1 1 calc
C14 C 1.0527(17) 0.087(2) 0.1379(9) 0.051(5) Uani 1 1 d
H14 H 1.1600 0.0599 0.1426 0.061 Uiso 1 1 calc
C15 C 0.968(2) 0.175(3) 0.1771(12) 0.090(8) Uani 1 1 d
H15 H 1.0149 0.2042 0.2096 0.108 Uiso 1 1 calc
C16 C 0.813(2) 0.223(3) 0.1697(10) 0.071(6) Uani 1 1 d
H16 H 0.7541 0.2837 0.1972 0.086 Uiso 1 1 calc
C17 C 0.565(2) 0.5583(16) 0.1605(7) 0.043(4) Uani 1 1 d
H17A H 0.5004 0.6389 0.1793 0.064 Uiso 1 1 calc
H17B H 0.6621 0.6005 0.1394 0.064 Uiso 1 1 calc
H17C H 0.5903 0.4754 0.1914 0.064 Uiso 1 1 calc
C18 C 0.5670(19) 0.8196(18) 0.4948(7) 0.041(4) Uani 1 1 d
H18A H 0.4746 0.7949 0.5245 0.049 Uiso 1 1 calc
H18B H 0.5399 0.9118 0.4676 0.049 Uiso 1 1 calc
C19 C 0.710(2) 0.8437(19) 0.5258(7) 0.045(4) Uani 1 1 d
H19A H 0.7453 0.9493 0.5150 0.054 Uiso 1 1 calc
H19B H 0.6858 0.8241 0.5699 0.054 Uiso 1 1 calc
C20 C 0.7611(16) 0.6522(15) 0.4678(6) 0.028(3) Uani 1 1 d
C21 C 0.8539(16) 0.5284(15) 0.4386(6) 0.031(3) Uani 1 1 d
H21A H 0.8718 0.4393 0.4686 0.037 Uiso 1 1 calc
H21B H 0.9577 0.5649 0.4199 0.037 Uiso 1 1 calc
C22 C 0.7838(16) 0.2720(16) 0.3778(6) 0.031(3) Uani 1 1 d
C23 C 0.8968(17) 0.1892(17) 0.4097(7) 0.038(3) Uani 1 1 d
H23 H 0.9482 0.2367 0.4370 0.046 Uiso 1 1 calc
C24 C 0.9343(19) 0.0368(18) 0.4018(8) 0.044(4) Uani 1 1 d
H24 H 1.0091 -0.0195 0.4247 0.053 Uiso 1 1 calc
C25 C 0.8657(19) -0.0341(17) 0.3614(8) 0.044(4) Uani 1 1 d
H25 H 0.8965 -0.1362 0.3545 0.053 Uiso 1 1 calc
C26 C 0.750(3) 0.048(2) 0.3308(10) 0.068(6) Uani 1 1 d
H26 H 0.6958 0.0005 0.3043 0.082 Uiso 1 1 calc
C27 C 0.713(3) 0.1994(19) 0.3391(10) 0.067(6) Uani 1 1 d
H27 H 0.6353 0.2548 0.3170 0.080 Uiso 1 1 calc
C28 C 0.8405(15) 0.5578(15) 0.3101(6) 0.027(3) Uani 1 1 d
C29 C 0.7651(15) 0.6793(16) 0.2762(7) 0.031(3) Uani 1 1 d
H29 H 0.6614 0.7153 0.2894 0.038 Uiso 1 1 calc
C30 C 0.8453(17) 0.7456(17) 0.2231(7) 0.038(3) Uani 1 1 d
H30 H 0.7955 0.8285 0.2003 0.046 Uiso 1 1 calc
C31 C 0.9905(19) 0.6960(18) 0.2032(7) 0.041(4) Uani 1 1 d
H31 H 1.0425 0.7420 0.1665 0.049 Uiso 1 1 calc
C32 C 1.0653(19) 0.575(2) 0.2373(9) 0.061(5) Uani 1 1 d
H32 H 1.1692 0.5404 0.2235 0.073 Uiso 1 1 calc
C33 C 0.9924(19) 0.5070(19) 0.2892(8) 0.054(5) Uani 1 1 d
H33 H 1.0444 0.4246 0.3115 0.065 Uiso 1 1 calc
C34 C 0.3928(16) 0.4717(16) 0.3428(6) 0.031(3) Uani 1 1 d
H34A H 0.2937 0.5278 0.3346 0.047 Uiso 1 1 calc
H34B H 0.3711 0.3664 0.3599 0.047 Uiso 1 1 calc
H34C H 0.4633 0.4707 0.3053 0.047 Uiso 1 1 calc
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'
Cl Cl 0.1484 0.1585 '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'
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
C17 Pd1 N1 176.4(5) y
C17 Pd1 P1 94.5(4) y
N1 Pd1 P1 82.2(3) y
C17 Pd1 Cl1 90.1(5) y
N1 Pd1 Cl1 93.2(3) y
P1 Pd1 Cl1 174.66(15) y
C34 Pd2 N2 176.9(5) y
C34 Pd2 P2 95.3(4) y
N2 Pd2 P2 82.8(3) y
C34 Pd2 Cl2 89.5(4) y
N2 Pd2 Cl2 92.3(3) y
P2 Pd2 Cl2 174.38(14) y
C5 P1 C11 102.1(6) ?
C5 P1 C4 104.7(6) ?
C11 P1 C4 105.4(6) ?
C5 P1 Pd1 114.4(5) ?
C11 P1 Pd1 125.1(5) ?
C4 P1 Pd1 103.4(5) ?
C22 P2 C28 102.3(6) ?
C22 P2 C21 106.1(6) ?
C28 P2 C21 104.7(6) ?
C22 P2 Pd2 124.6(5) ?
C28 P2 Pd2 113.8(4) ?
C21 P2 Pd2 103.5(5) ?
C3 O1 C2 104.4(12) ?
C20 O2 C19 105.7(11) ?
C3 N1 C1 107.2(12) ?
C3 N1 Pd1 120.2(9) ?
C1 N1 Pd1 132.6(10) ?
C20 N2 C18 108.1(12) ?
C20 N2 Pd2 120.0(9) ?
C18 N2 Pd2 131.7(10) ?
N1 C1 C2 104.3(13) ?
N1 C1 H1A 110.9 ?
C2 C1 H1A 110.9 ?
N1 C1 H1B 110.9 ?
C2 C1 H1B 110.9 ?
H1A C1 H1B 108.9 ?
O1 C2 C1 105.2(12) ?
O1 C2 H2A 110.7 ?
C1 C2 H2A 110.7 ?
O1 C2 H2B 110.7 ?
C1 C2 H2B 110.7 ?
H2A C2 H2B 108.8 ?
N1 C3 O1 118.8(13) ?
N1 C3 C4 122.6(12) ?
O1 C3 C4 118.6(13) ?
C3 C4 P1 108.1(9) ?
C3 C4 H4A 110.1 ?
P1 C4 H4A 110.1 ?
C3 C4 H4B 110.1 ?
P1 C4 H4B 110.1 ?
H4A C4 H4B 108.4 ?
C6 C5 C10 117.2(13) ?
C6 C5 P1 121.6(11) ?
C10 C5 P1 121.2(11) ?
C7 C6 C5 121.0(15) ?
C7 C6 H6 119.5 ?
C5 C6 H6 119.5 ?
C6 C7 C8 121.6(16) ?
C6 C7 H7 119.2 ?
C8 C7 H7 119.2 ?
C7 C8 C9 117.4(15) ?
C7 C8 H8 121.3 ?
C9 C8 H8 121.3 ?
C10 C9 C8 121.3(15) ?
C10 C9 H9 119.3 ?
C8 C9 H9 119.3 ?
C9 C10 C5 121.4(15) ?
C9 C10 H10 119.3 ?
C5 C10 H10 119.3 ?
C12 C11 C16 117.9(14) ?
C12 C11 P1 124.7(11) ?
C16 C11 P1 117.0(12) ?
C11 C12 C13 123.0(15) ?
C11 C12 H12 118.5 ?
C13 C12 H12 118.5 ?
C14 C13 C12 117.3(16) ?
C14 C13 H13 121.3 ?
C12 C13 H13 121.3 ?
C13 C14 C15 121.5(15) ?
C13 C14 H14 119.3 ?
C15 C14 H14 119.3 ?
C14 C15 C16 120.5(19) ?
C14 C15 H15 119.8 ?
C16 C15 H15 119.8 ?
C11 C16 C15 119.6(18) ?
C11 C16 H16 120.2 ?
C15 C16 H16 120.2 ?
Pd1 C17 H17A 109.5 ?
Pd1 C17 H17B 109.5 ?
H17A C17 H17B 109.5 ?
Pd1 C17 H17C 109.5 ?
H17A C17 H17C 109.5 ?
H17B C17 H17C 109.5 ?
N2 C18 C19 104.2(12) ?
N2 C18 H18A 110.9 ?
C19 C18 H18A 110.9 ?
N2 C18 H18B 110.9 ?
C19 C18 H18B 110.9 ?
H18A C18 H18B 108.9 ?
O2 C19 C18 104.3(11) ?
O2 C19 H19A 110.9 ?
C18 C19 H19A 110.9 ?
O2 C19 H19B 110.9 ?
C18 C19 H19B 110.9 ?
H19A C19 H19B 108.9 ?
N2 C20 O2 117.6(13) ?
N2 C20 C21 123.8(12) ?
O2 C20 C21 118.6(11) ?
C20 C21 P2 107.7(9) ?
C20 C21 H21A 110.2 ?
P2 C21 H21A 110.2 ?
C20 C21 H21B 110.2 ?
P2 C21 H21B 110.2 ?
H21A C21 H21B 108.5 ?
C27 C22 C23 118.1(13) ?
C27 C22 P2 118.9(11) ?
C23 C22 P2 122.8(10) ?
C22 C23 C24 120.0(13) ?
C22 C23 H23 120.0 ?
C24 C23 H23 120.0 ?
C25 C24 C23 121.5(14) ?
C25 C24 H24 119.2 ?
C23 C24 H24 119.2 ?
C24 C25 C26 118.1(14) ?
C24 C25 H25 121.0 ?
C26 C25 H25 121.0 ?
C27 C26 C25 120.0(16) ?
C27 C26 H26 120.0 ?
C25 C26 H26 120.0 ?
C22 C27 C26 122.2(16) ?
C22 C27 H27 118.9 ?
C26 C27 H27 118.9 ?
C33 C28 C29 119.2(13) ?
C33 C28 P2 121.5(11) ?
C29 C28 P2 119.4(10) ?
C30 C29 C28 118.7(12) ?
C30 C29 H29 120.6 ?
C28 C29 H29 120.6 ?
C31 C30 C29 121.8(14) ?
C31 C30 H30 119.1 ?
C29 C30 H30 119.1 ?
C30 C31 C32 119.2(13) ?
C30 C31 H31 120.4 ?
C32 C31 H31 120.4 ?
C33 C32 C31 121.2(14) ?
C33 C32 H32 119.4 ?
C31 C32 H32 119.4 ?
C32 C33 C28 119.9(14) ?
C32 C33 H33 120.0 ?
C28 C33 H33 120.0 ?
Pd2 C34 H34A 109.5 ?
Pd2 C34 H34B 109.5 ?
H34A C34 H34B 109.5 ?
Pd2 C34 H34C 109.5 ?
H34A C34 H34C 109.5 ?
H34B C34 H34C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 C17 2.057(13) y
Pd1 N1 2.103(12) y
Pd1 P1 2.212(4) y
Pd1 Cl1 2.383(4) y
Pd2 C34 2.087(12) y
Pd2 N2 2.098(11) y
Pd2 P2 2.230(3) y
Pd2 Cl2 2.376(4) y
P1 C5 1.811(14) ?
P1 C11 1.827(13) ?
P1 C4 1.847(13) y
P2 C22 1.803(14) ?
P2 C28 1.816(14) ?
P2 C21 1.851(13) y
O1 C3 1.332(16) ?
O1 C2 1.50(2) ?
O2 C20 1.345(16) ?
O2 C19 1.487(19) ?
N1 C3 1.291(18) y
N1 C1 1.475(18) ?
N2 C20 1.284(17) y
N2 C18 1.471(17) ?
C1 C2 1.50(2) ?
C1 H1A 0.9900 ?
C1 H1B 0.9900 ?
C2 H2A 0.9900 ?
C2 H2B 0.9900 ?
C3 C4 1.468(19) ?
C4 H4A 0.9900 ?
C4 H4B 0.9900 ?
C5 C6 1.38(2) ?
C5 C10 1.42(2) ?
C6 C7 1.36(2) ?
C6 H6 0.9500 ?
C7 C8 1.39(2) ?
C7 H7 0.9500 ?
C8 C9 1.40(2) ?
C8 H8 0.9500 ?
C9 C10 1.33(2) ?
C9 H9 0.9500 ?
C10 H10 0.9500 ?
C11 C12 1.35(2) ?
C11 C16 1.38(2) ?
C12 C13 1.41(2) ?
C12 H12 0.9500 ?
C13 C14 1.34(3) ?
C13 H13 0.9500 ?
C14 C15 1.37(3) ?
C14 H14 0.9500 ?
C15 C16 1.39(3) ?
C15 H15 0.9500 ?
C16 H16 0.9500 ?
C17 H17A 0.9800 ?
C17 H17B 0.9800 ?
C17 H17C 0.9800 ?
C18 C19 1.52(2) ?
C18 H18A 0.9900 ?
C18 H18B 0.9900 ?
C19 H19A 0.9900 ?
C19 H19B 0.9900 ?
C20 C21 1.49(2) y
C21 H21A 0.9900 ?
C21 H21B 0.9900 ?
C22 C27 1.37(2) ?
C22 C23 1.39(2) ?
C23 C24 1.39(2) ?
C23 H23 0.9500 ?
C24 C25 1.38(2) ?
C24 H24 0.9500 ?
C25 C26 1.39(3) ?
C25 H25 0.9500 ?
C26 C27 1.38(2) ?
C26 H26 0.9500 ?
C27 H27 0.9500 ?
C28 C33 1.395(19) ?
C28 C29 1.407(19) ?
C29 C30 1.39(2) ?
C29 H29 0.9500 ?
C30 C31 1.34(2) ?
C30 H30 0.9500 ?
C31 C32 1.40(2) ?
C31 H31 0.9500 ?
C32 C33 1.35(2) ?
C32 H32 0.9500 ?
C33 H33 0.9500 ?
C34 H34A 0.9800 ?
C34 H34B 0.9800 ?
C34 H34C 0.9800 ?
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
C17 Pd1 P1 C5 79.7(7)
N1 Pd1 P1 C5 -98.8(6)
Cl1 Pd1 P1 C5 -68.4(16)
C17 Pd1 P1 C11 -47.1(8)
N1 Pd1 P1 C11 134.3(7)
Cl1 Pd1 P1 C11 164.8(15)
C17 Pd1 P1 C4 -167.1(7)
N1 Pd1 P1 C4 14.3(5)
Cl1 Pd1 P1 C4 44.8(16)
C34 Pd2 P2 C22 -50.4(7)
N2 Pd2 P2 C22 132.0(7)
Cl2 Pd2 P2 C22 161.5(14)
C34 Pd2 P2 C28 75.7(6)
N2 Pd2 P2 C28 -101.9(6)
Cl2 Pd2 P2 C28 -72.5(15)
C34 Pd2 P2 C21 -171.3(6)
N2 Pd2 P2 C21 11.1(6)
Cl2 Pd2 P2 C21 40.6(16)
C17 Pd1 N1 C3 -33(10)
P1 Pd1 N1 C3 -10.1(11)
Cl1 Pd1 N1 C3 172.6(11)
C17 Pd1 N1 C1 146(10)
P1 Pd1 N1 C1 168.6(15)
Cl1 Pd1 N1 C1 -8.7(14)
C34 Pd2 N2 C20 -59(10)
P2 Pd2 N2 C20 -7.3(11)
Cl2 Pd2 N2 C20 175.5(11)
C34 Pd2 N2 C18 116(10)
P2 Pd2 N2 C18 168.0(13)
Cl2 Pd2 N2 C18 -9.3(13)
C3 N1 C1 C2 -2.6(18)
Pd1 N1 C1 C2 178.6(11)
C3 O1 C2 C1 -1.7(17)
N1 C1 C2 O1 2.6(18)
C1 N1 C3 O1 1.7(19)
Pd1 N1 C3 O1 -179.3(10)
C1 N1 C3 C4 180.0(14)
Pd1 N1 C3 C4 -1.0(19)
C2 O1 C3 N1 0.1(18)
C2 O1 C3 C4 -178.3(13)
N1 C3 C4 P1 14.2(17)
O1 C3 C4 P1 -167.5(10)
C5 P1 C4 C3 101.2(10)
C11 P1 C4 C3 -151.5(9)
Pd1 P1 C4 C3 -18.8(10)
C11 P1 C5 C6 118.1(12)
C4 P1 C5 C6 -132.3(12)
Pd1 P1 C5 C6 -19.8(13)
C11 P1 C5 C10 -61.6(12)
C4 P1 C5 C10 48.1(13)
Pd1 P1 C5 C10 160.5(10)
C10 C5 C6 C7 -1(2)
P1 C5 C6 C7 179.4(12)
C5 C6 C7 C8 0(3)
C6 C7 C8 C9 -1(3)
C7 C8 C9 C10 3(3)
C8 C9 C10 C5 -4(3)
C6 C5 C10 C9 3(2)
P1 C5 C10 C9 -177.6(13)
C5 P1 C11 C12 109.2(14)
C4 P1 C11 C12 0.0(15)
Pd1 P1 C11 C12 -119.0(13)
C5 P1 C11 C16 -63.8(16)
C4 P1 C11 C16 -172.9(15)
Pd1 P1 C11 C16 68.0(16)
C16 C11 C12 C13 -2(3)
P1 C11 C12 C13 -174.6(13)
C11 C12 C13 C14 -1(3)
C12 C13 C14 C15 4(3)
C13 C14 C15 C16 -3(4)
C12 C11 C16 C15 2(3)
P1 C11 C16 C15 176(2)
C14 C15 C16 C11 0(4)
C20 N2 C18 C19 -3.1(17)
Pd2 N2 C18 C19 -178.7(10)
C20 O2 C19 C18 -2.8(15)
N2 C18 C19 O2 3.5(16)
C18 N2 C20 O2 1.4(18)
Pd2 N2 C20 O2 177.7(9)
C18 N2 C20 C21 -178.1(13)
Pd2 N2 C20 C21 -1.8(19)
C19 O2 C20 N2 1.0(17)
C19 O2 C20 C21 -179.5(12)
N2 C20 C21 P2 11.9(17)
O2 C20 C21 P2 -167.6(10)
C22 P2 C21 C20 -147.5(9)
C28 P2 C21 C20 104.8(10)
Pd2 P2 C21 C20 -14.7(10)
C28 P2 C22 C27 -71.6(16)
C21 P2 C22 C27 178.9(16)
Pd2 P2 C22 C27 59.2(17)
C28 P2 C22 C23 103.0(13)
C21 P2 C22 C23 -6.5(14)
Pd2 P2 C22 C23 -126.2(11)
C27 C22 C23 C24 0(2)
P2 C22 C23 C24 -174.7(12)
C22 C23 C24 C25 2(2)
C23 C24 C25 C26 -4(3)
C24 C25 C26 C27 4(3)
C23 C22 C27 C26 0(3)
P2 C22 C27 C26 174.8(19)
C25 C26 C27 C22 -2(4)
C22 P2 C28 C33 -43.5(15)
C21 P2 C28 C33 67.0(15)
Pd2 P2 C28 C33 179.4(12)
C22 P2 C28 C29 137.9(11)
C21 P2 C28 C29 -111.5(11)
Pd2 P2 C28 C29 0.8(12)
C33 C28 C29 C30 0(2)
P2 C28 C29 C30 178.1(11)
C28 C29 C30 C31 1(2)
C29 C30 C31 C32 -1(3)
C30 C31 C32 C33 1(3)
C31 C32 C33 C28 -1(3)
C29 C28 C33 C32 0(3)
P2 C28 C33 C32 -178.1(16)
