#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:58:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179164 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/25/4312550.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_4312550
loop_
_publ_author_name
'Xavier Morise'
'Pierre Braunstein'
'Richard Welter'
_publ_contact_author_address
;
Institut Le Bel, rue Blaise Pascal, 67000 STRASBOURG, FRANCE
;
_publ_contact_author_email       morise@chimie.u-strasbg.fr
_publ_contact_author_fax         0390245001
_publ_contact_author_name
;
Xavier Morise
;
_publ_contact_author_phone       0390241316
_publ_section_title
;
 Enolphosphato-Phosphines: A New Class of P,O Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7752
_journal_page_last               7765
_journal_paper_doi               10.1021/ic030032y
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C23 H26 N2 O P Pd, B F4'
_chemical_formula_sum            'C23 H26 B F4 N2 O P Pd'
_chemical_formula_weight         570.64
_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                99.023(5)
_cell_angle_beta                 104.466(5)
_cell_angle_gamma                95.540(5)
_cell_formula_units_Z            2
_cell_length_a                   10.172(5)
_cell_length_b                   11.129(5)
_cell_length_c                   11.190(5)
_cell_measurement_reflns_used    15949
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      40.250
_cell_measurement_theta_min      0.998
_cell_volume                     1199.2(10)
_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 0.986
_diffrn_measured_fraction_theta_max 0.986
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16951
_diffrn_reflns_theta_full        40.32
_diffrn_reflns_theta_max         40.32
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.890
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.669
_refine_diff_density_min         -1.811
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         14964
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0436
_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)+(0.0616P)²+0.7600P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1227
_reflns_number_gt                13091
_reflns_number_total             14964
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic030032y_2.cif
_cod_data_source_block           cristal
_cod_database_code               4312550
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 0.83696(17) 0.33643(13) 0.53498(14) 0.0225(2) Uani 1 1 d . . .
C2 C 0.69314(18) 0.31749(15) 0.49877(17) 0.0275(3) Uani 1 1 d . . .
H2 H 0.6467 0.2548 0.4320 0.033 Uiso 1 1 calc . . .
C3 C 0.6188(2) 0.39141(18) 0.5616(2) 0.0329(3) Uani 1 1 d . . .
H3 H 0.5235 0.3785 0.5357 0.040 Uiso 1 1 calc . . .
C4 C 0.6871(2) 0.48476(19) 0.6633(2) 0.0365(4) Uani 1 1 d . . .
H4 H 0.6376 0.5339 0.7053 0.044 Uiso 1 1 calc . . .
C5 C 0.8294(2) 0.50368(18) 0.70117(19) 0.0343(4) Uani 1 1 d . . .
H5 H 0.8752 0.5649 0.7696 0.041 Uiso 1 1 calc . . .
C6 C 0.90416(19) 0.43154(14) 0.63728(15) 0.0261(3) Uani 1 1 d . . .
C7 C 1.05789(19) 0.45596(14) 0.66939(17) 0.0284(3) Uani 1 1 d . . .
H7A H 1.0858 0.5189 0.6263 0.034 Uiso 1 1 calc . . .
H7B H 1.0949 0.4853 0.7591 0.034 Uiso 1 1 calc . . .
C8 C 1.2488(2) 0.37066(18) 0.6089(2) 0.0338(3) Uani 1 1 d . . .
H8A H 1.2405 0.4189 0.5441 0.051 Uiso 1 1 calc . . .
H8B H 1.2828 0.2960 0.5835 0.051 Uiso 1 1 calc . . .
H8C H 1.3114 0.4165 0.6851 0.051 Uiso 1 1 calc . . .
C9 C 1.1266(3) 0.2664(2) 0.7307(2) 0.0391(4) Uani 1 1 d . . .
H9A H 1.0388 0.2465 0.7455 0.059 Uiso 1 1 calc . . .
H9B H 1.1895 0.3125 0.8065 0.059 Uiso 1 1 calc . . .
H9C H 1.1608 0.1920 0.7049 0.059 Uiso 1 1 calc . . .
C10 C 1.06216(19) 0.06238(15) 0.29885(16) 0.0268(3) Uani 1 1 d . . .
C11 C 1.1520(2) -0.0225(2) 0.2522(2) 0.0370(4) Uani 1 1 d . . .
H11A H 1.1018 -0.0720 0.1726 0.056 Uiso 1 1 calc . . .
H11B H 1.1803 -0.0748 0.3116 0.056 Uiso 1 1 calc . . .
H11C H 1.2314 0.0249 0.2425 0.056 Uiso 1 1 calc . . .
C12 C 0.67750(17) 0.03999(13) 0.28191(14) 0.0237(2) Uani 1 1 d . . .
C13 C 0.5716(3) -0.0048(2) 0.17369(18) 0.0412(5) Uani 1 1 d . . .
H13 H 0.5710 0.0245 0.1002 0.049 Uiso 1 1 calc . . .
C14 C 0.4662(3) -0.0936(2) 0.1757(2) 0.0470(6) Uani 1 1 d . . .
H14 H 0.3950 -0.1231 0.1034 0.056 Uiso 1 1 calc . . .
C15 C 0.4669(2) -0.13811(18) 0.2837(2) 0.0351(4) Uani 1 1 d . . .
H15 H 0.3974 -0.1989 0.2837 0.042 Uiso 1 1 calc . . .
C16 C 0.5709(2) -0.09241(18) 0.3926(2) 0.0336(3) Uani 1 1 d . . .
H16 H 0.5702 -0.1213 0.4660 0.040 Uiso 1 1 calc . . .
C17 C 0.6761(2) -0.00330(16) 0.39178(17) 0.0293(3) Uani 1 1 d . . .
H17 H 0.7458 0.0275 0.4649 0.035 Uiso 1 1 calc . . .
C18 C 0.77105(18) 0.23574(14) 0.16304(15) 0.0252(2) Uani 1 1 d . . .
C19 C 0.8581(2) 0.26129(17) 0.08830(17) 0.0304(3) Uani 1 1 d . . .
H19 H 0.9375 0.2248 0.0944 0.036 Uiso 1 1 calc . . .
C20 C 0.8255(3) 0.3416(2) 0.00475(19) 0.0380(4) Uani 1 1 d . . .
H20 H 0.8835 0.3588 -0.0447 0.046 Uiso 1 1 calc . . .
C21 C 0.7075(3) 0.3955(2) -0.0049(2) 0.0430(5) Uani 1 1 d . . .
H21 H 0.6867 0.4494 -0.0603 0.052 Uiso 1 1 calc . . .
C22 C 0.6203(3) 0.3695(2) 0.0677(2) 0.0431(5) Uani 1 1 d . . .
H22 H 0.5405 0.4055 0.0602 0.052 Uiso 1 1 calc . . .
C23 C 0.6513(2) 0.28958(18) 0.15220(19) 0.0331(3) Uani 1 1 d . . .
H23 H 0.5925 0.2724 0.2009 0.040 Uiso 1 1 calc . . .
N1 N 1.11215(15) 0.34057(12) 0.63080(13) 0.0237(2) Uani 1 1 d . . .
N2 N 0.93151(17) 0.05534(13) 0.22880(13) 0.0263(2) Uani 1 1 d D . .
H26 H 0.897(3) -0.005(2) 0.1526(16) 0.040 Uiso 1 1 d D . .
Pd Pd 0.966194(11) 0.242552(9) 0.465132(10) 0.02021(3) Uani 1 1 d . . .
O O 1.10734(14) 0.13503(13) 0.40124(13) 0.0300(2) Uani 1 1 d . . .
P P 0.82361(4) 0.14628(3) 0.28379(4) 0.02128(7) Uani 1 1 d . . .
B1 B 0.2328(2) 0.2039(2) 0.0612(2) 0.0409(5) Uiso 1 1 d D . .
F1 F 0.2019(3) 0.2207(3) 0.1767(2) 0.0692(4) Uiso 0.75 1 d PD . .
F2 F 0.3109(6) 0.2114(6) 0.1847(3) 0.0692(4) Uiso 0.38 1 d PD . .
F3 F 0.3271(7) 0.2866(7) 0.0322(8) 0.0692(4) Uiso 0.28 1 d PD . .
F4 F 0.1707(7) 0.3059(4) 0.0296(6) 0.0692(4) Uiso 0.35 1 d PD . .
F5 F 0.1120(4) 0.1556(5) -0.0328(4) 0.0692(4) Uiso 0.42 1 d PD . .
F6 F 0.2790(5) 0.3191(3) 0.0411(5) 0.0692(4) Uiso 0.50 1 d PD . .
F7 F 0.3384(5) 0.1310(5) 0.0778(7) 0.0692(4) Uiso 0.35 1 d PD . .
F8 F 0.2519(8) 0.0869(4) 0.0077(7) 0.0692(4) Uiso 0.30 1 d PD . .
F9 F 0.1268(5) 0.1064(4) 0.0068(5) 0.0692(4) Uiso 0.41 1 d PD . .
F10 F 0.3133(8) 0.1701(8) -0.0200(7) 0.0692(4) Uiso 0.26 1 d PD . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pd Pd -0.9988 1.0072 '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'
F F 0.0171 0.0103 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
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
C2 C1 C6 118.09(14) . . ?
C2 C1 Pd 128.93(12) . . ?
C6 C1 Pd 112.94(12) . . ?
C3 C2 C1 120.89(17) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 120.25(19) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 119.53(17) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 120.45(18) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 120.77(17) . . ?
C5 C6 C7 121.77(16) . . ?
C1 C6 C7 117.37(14) . . ?
N1 C7 C6 109.53(13) . . ?
N1 C7 H7A 109.8 . . ?
C6 C7 H7A 109.8 . . ?
N1 C7 H7B 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O C10 N2 121.55(15) . . ?
O C10 C11 120.09(18) . . ?
N2 C10 C11 118.33(16) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C17 119.53(16) . . ?
C13 C12 P 122.36(14) . . ?
C17 C12 P 118.00(12) . . ?
C12 C13 C14 119.79(19) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 120.5(2) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 120.08(18) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 119.90(18) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C16 C17 C12 120.20(17) . . ?
C16 C17 H17 119.9 . . ?
C12 C17 H17 119.9 . . ?
C23 C18 C19 119.71(16) . . ?
C23 C18 P 120.46(14) . . ?
C19 C18 P 119.52(14) . . ?
C20 C19 C18 119.8(2) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C21 C20 C19 120.3(2) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 120.16(19) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C23 120.4(2) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C18 C23 C22 119.6(2) . . ?
C18 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C9 N1 C8 108.83(16) . . ?
C9 N1 C7 109.96(16) . . ?
C8 N1 C7 109.91(14) . . ?
C9 N1 Pd 109.72(12) . . ?
C8 N1 Pd 111.81(12) . . ?
C7 N1 Pd 106.60(10) . . ?
C10 N2 P 119.33(12) . . ?
C10 N2 H26 120.0(19) . . ?
P N2 H26 120.5(19) . . ?
C1 Pd N1 83.10(7) . . ?
C1 Pd O 175.90(6) . . ?
N1 Pd O 95.16(6) . . ?
C1 Pd P 99.24(6) . . ?
N1 Pd P 175.63(4) . . ?
O Pd P 82.75(5) . . ?
C10 O Pd 116.96(12) . . ?
N2 P C12 104.59(8) . . ?
N2 P C18 103.96(8) . . ?
C12 P C18 108.35(8) . . ?
N2 P Pd 99.36(6) . . ?
C12 P Pd 120.13(6) . . ?
C18 P Pd 117.71(6) . . ?
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 C2 1.402(2) . ?
C1 C6 1.410(2) . ?
C1 Pd 1.9882(16) . ?
C2 C3 1.395(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.397(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.387(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.394(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.502(3) . ?
C7 N1 1.491(2) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N1 1.487(3) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N1 1.477(2) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 O 1.246(2) . ?
C10 N2 1.352(2) . ?
C10 C11 1.500(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.390(2) . ?
C12 C17 1.392(2) . ?
C12 P 1.8015(18) . ?
C13 C14 1.393(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.375(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.386(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.390(3) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C23 1.395(3) . ?
C18 C19 1.400(3) . ?
C18 P 1.8073(17) . ?
C19 C20 1.395(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.381(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.383(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.398(3) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
N1 Pd 2.1234(15) . ?
N2 P 1.7217(16) . ?
N2 H26 0.960(2) . ?
Pd O 2.1402(15) . ?
Pd P 2.2174(8) . ?
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
C6 C1 C2 C3 0.5(3) . . . . ?
Pd C1 C2 C3 178.21(14) . . . . ?
C1 C2 C3 C4 -1.0(3) . . . . ?
C2 C3 C4 C5 0.2(3) . . . . ?
C3 C4 C5 C6 1.0(3) . . . . ?
C4 C5 C6 C1 -1.4(3) . . . . ?
C4 C5 C6 C7 175.14(19) . . . . ?
C2 C1 C6 C5 0.6(3) . . . . ?
Pd C1 C6 C5 -177.39(14) . . . . ?
C2 C1 C6 C7 -176.06(15) . . . . ?
Pd C1 C6 C7 5.90(19) . . . . ?
C5 C6 C7 N1 155.31(17) . . . . ?
C1 C6 C7 N1 -28.0(2) . . . . ?
C17 C12 C13 C14 -0.9(4) . . . . ?
P C12 C13 C14 175.3(2) . . . . ?
C12 C13 C14 C15 -0.5(4) . . . . ?
C13 C14 C15 C16 1.7(4) . . . . ?
C14 C15 C16 C17 -1.3(3) . . . . ?
C15 C16 C17 C12 -0.1(3) . . . . ?
C13 C12 C17 C16 1.2(3) . . . . ?
P C12 C17 C16 -175.13(15) . . . . ?
C23 C18 C19 C20 0.8(3) . . . . ?
P C18 C19 C20 -172.80(14) . . . . ?
C18 C19 C20 C21 -0.3(3) . . . . ?
C19 C20 C21 C22 -0.5(3) . . . . ?
C20 C21 C22 C23 0.6(4) . . . . ?
C19 C18 C23 C22 -0.7(3) . . . . ?
P C18 C23 C22 172.90(17) . . . . ?
C21 C22 C23 C18 -0.1(3) . . . . ?
C6 C7 N1 C9 -84.85(18) . . . . ?
C6 C7 N1 C8 155.36(15) . . . . ?
C6 C7 N1 Pd 34.01(16) . . . . ?
O C10 N2 P -1.5(2) . . . . ?
C11 C10 N2 P 176.82(14) . . . . ?
C2 C1 Pd N1 -166.41(16) . . . . ?
C6 C1 Pd N1 11.36(12) . . . . ?
C2 C1 Pd O -101.4(8) . . . . ?
C6 C1 Pd O 76.4(8) . . . . ?
C2 C1 Pd P 17.32(15) . . . . ?
C6 C1 Pd P -164.91(11) . . . . ?
C9 N1 Pd C1 93.43(15) . . . . ?
C8 N1 Pd C1 -145.73(12) . . . . ?
C7 N1 Pd C1 -25.59(11) . . . . ?
C9 N1 Pd O -82.84(15) . . . . ?
C8 N1 Pd O 38.01(12) . . . . ?
C7 N1 Pd O 158.14(11) . . . . ?
C9 N1 Pd P -144.0(5) . . . . ?
C8 N1 Pd P -23.1(6) . . . . ?
C7 N1 Pd P 97.0(5) . . . . ?
N2 C10 O Pd 2.6(2) . . . . ?
C11 C10 O Pd -175.66(14) . . . . ?
C1 Pd O C10 117.1(7) . . . . ?
N1 Pd O C10 -178.29(14) . . . . ?
P Pd O C10 -2.15(13) . . . . ?
C10 N2 P C12 -124.96(14) . . . . ?
C10 N2 P C18 121.47(14) . . . . ?
C10 N2 P Pd -0.31(14) . . . . ?
C13 C12 P N2 -82.26(19) . . . . ?
C17 C12 P N2 93.97(15) . . . . ?
C13 C12 P C18 28.2(2) . . . . ?
C17 C12 P C18 -155.60(14) . . . . ?
C13 C12 P Pd 167.54(16) . . . . ?
C17 C12 P Pd -16.23(16) . . . . ?
C23 C18 P N2 158.72(14) . . . . ?
C19 C18 P N2 -27.71(15) . . . . ?
C23 C18 P C12 47.87(16) . . . . ?
C19 C18 P C12 -138.56(13) . . . . ?
C23 C18 P Pd -92.63(15) . . . . ?
C19 C18 P Pd 80.95(14) . . . . ?
C1 Pd P N2 -175.30(7) . . . . ?
N1 Pd P N2 62.6(5) . . . . ?
O Pd P N2 1.08(7) . . . . ?
C1 Pd P C12 -62.29(8) . . . . ?
N1 Pd P C12 175.6(5) . . . . ?
O Pd P C12 114.08(8) . . . . ?
C1 Pd P C18 73.43(8) . . . . ?
N1 Pd P C18 -48.7(5) . . . . ?
O Pd P C18 -110.20(8) . . . . ?
