#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:10:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179097 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/59/4305998.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_4305998
loop_
_publ_author_name
'Roberto Pattacini'
'Günter Margraf'
'Abdelatif Messaoudi'
'Nicola Oberbeckmann-Winter'
'Pierre Braunstein'
_publ_contact_author_address
;Laboratoire de Chimie de Coordination
CNRS-Université Louis Pasteur
Institut Le Bel - 4 rue Blaise Pascal
67070 Strasbourg Cedex - France
;
_publ_contact_author_email       braunst@chimie.u-strasbg.fr
_publ_contact_author_fax         +33(0)390241322
_publ_contact_author_name        'Dr. Pierre Braunstein'
_publ_contact_author_phone       +33(0)390241308
_publ_section_title
;
Formation of P-C Bonds under Unexpectedly Mild Conditions. Phosphoryl
Migration and Metal Coordination of Diphenylphosphinomethyl-oxazolines and
-thiazolines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9886
_journal_page_last               9897
_journal_paper_doi               10.1021/ic800934h
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C25 H27 N2 P Pd S'
_chemical_formula_sum            'C25 H27 N2 P Pd S'
_chemical_formula_weight         524.92
_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                111.414(1)
_cell_angle_beta                 110.096(1)
_cell_angle_gamma                90.230(1)
_cell_formula_units_Z            2
_cell_length_a                   9.6610(1)
_cell_length_b                   10.9010(2)
_cell_length_c                   12.7800(2)
_cell_measurement_reflns_used    6218
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.98
_cell_measurement_theta_min      0.998
_cell_volume                     1163.75(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9969
_diffrn_reflns_theta_full        30.09
_diffrn_reflns_theta_max         30.09
_diffrn_reflns_theta_min         2.27
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.970
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.789
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         6784
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0272
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0171P)²+0.5982P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0640
_reflns_number_gt                6147
_reflns_number_total             6784
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800934h_si_001_7.cif
_cod_data_source_block           Compound9
_cod_database_code               4305998
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
Pd Pd 0.322444(13) 0.122963(12) 0.606532(11) 0.01948(4) Uani 1 1 d . . .
P P 0.28460(5) 0.33420(4) 0.63895(4) 0.01913(9) Uani 1 1 d . . .
N1 N 0.18926(16) 0.09050(15) 0.42556(13) 0.0251(3) Uani 1 1 d . . .
N2 N 0.31871(16) -0.08127(15) 0.59621(14) 0.0250(3) Uani 1 1 d . . .
S S 0.04045(5) 0.16727(6) 0.25244(4) 0.03404(11) Uani 1 1 d . . .
C1 C 0.1226(3) -0.0321(2) 0.31890(18) 0.0400(5) Uani 1 1 d . . .
H1A H 0.0313 -0.0712 0.3208 0.048 Uiso 1 1 calc R . .
H1B H 0.1934 -0.0975 0.3176 0.048 Uiso 1 1 calc R . .
C2 C 0.0844(3) -0.0006(2) 0.2070(2) 0.0505(6) Uani 1 1 d . . .
H2A H -0.0021 -0.0636 0.1397 0.061 Uiso 1 1 calc R . .
H2B H 0.1702 -0.0058 0.1807 0.061 Uiso 1 1 calc R . .
C3 C 0.15151(18) 0.19954(19) 0.40589(15) 0.0237(3) Uani 1 1 d . . .
C4 C 0.19084(19) 0.32726(18) 0.49253(15) 0.0244(3) Uani 1 1 d . . .
H4 H 0.1693 0.4040 0.4747 0.029 Uiso 1 1 calc R . .
C5 C 0.47662(18) 0.15797(17) 0.77096(15) 0.0223(3) Uani 1 1 d . . .
C6 C 0.5933(2) 0.26415(19) 0.84388(16) 0.0270(4) Uani 1 1 d . . .
H6 H 0.5989 0.3368 0.8205 0.032 Uiso 1 1 calc R . .
C7 C 0.7010(2) 0.2656(2) 0.94967(17) 0.0325(4) Uani 1 1 d . . .
H7 H 0.7787 0.3391 0.9979 0.039 Uiso 1 1 calc R . .
C8 C 0.6957(2) 0.1605(2) 0.98528(18) 0.0355(4) Uani 1 1 d . . .
H8 H 0.7682 0.1626 1.0587 0.043 Uiso 1 1 calc R . .
C9 C 0.5840(2) 0.0520(2) 0.91307(18) 0.0329(4) Uani 1 1 d . . .
H9 H 0.5811 -0.0214 0.9360 0.039 Uiso 1 1 calc R . .
C10 C 0.4758(2) 0.05062(18) 0.80693(16) 0.0253(3) Uani 1 1 d . . .
C11 C 0.3541(2) -0.06494(19) 0.72453(18) 0.0302(4) Uani 1 1 d . . .
H11A H 0.3864 -0.1472 0.7349 0.036 Uiso 1 1 calc R . .
H11B H 0.2640 -0.0490 0.7450 0.036 Uiso 1 1 calc R . .
C12 C 0.1744(2) -0.1701(2) 0.5212(2) 0.0380(5) Uani 1 1 d . . .
H12A H 0.1561 -0.1937 0.4354 0.057 Uiso 1 1 calc R . .
H12B H 0.0942 -0.1241 0.5408 0.057 Uiso 1 1 calc R . .
H12C H 0.1775 -0.2512 0.5377 0.057 Uiso 1 1 calc R . .
C13 C 0.4356(2) -0.1439(2) 0.5541(2) 0.0368(5) Uani 1 1 d . . .
H13A H 0.4364 -0.2335 0.5547 0.055 Uiso 1 1 calc R . .
H13B H 0.5329 -0.0898 0.6080 0.055 Uiso 1 1 calc R . .
H13C H 0.4149 -0.1498 0.4716 0.055 Uiso 1 1 calc R . .
C14 C 0.42774(18) 0.48025(16) 0.71725(15) 0.0208(3) Uani 1 1 d . . .
C15 C 0.50526(19) 0.51130(18) 0.65374(16) 0.0253(3) Uani 1 1 d . . .
H15 H 0.4826 0.4564 0.5710 0.030 Uiso 1 1 calc R . .
C16 C 0.6150(2) 0.62160(19) 0.71058(18) 0.0295(4) Uani 1 1 d . . .
H16 H 0.6661 0.6427 0.6664 0.035 Uiso 1 1 calc R . .
C17 C 0.6503(2) 0.70093(19) 0.83134(19) 0.0322(4) Uani 1 1 d . . .
H17 H 0.7267 0.7757 0.8704 0.039 Uiso 1 1 calc R . .
C18 C 0.5743(2) 0.6714(2) 0.89548(18) 0.0339(4) Uani 1 1 d . . .
H18 H 0.5980 0.7263 0.9784 0.041 Uiso 1 1 calc R . .
C19 C 0.4632(2) 0.56151(19) 0.83852(17) 0.0289(4) Uani 1 1 d . . .
H19 H 0.4111 0.5418 0.8828 0.035 Uiso 1 1 calc R . .
C20 C 0.16097(18) 0.37906(17) 0.72387(15) 0.0214(3) Uani 1 1 d . . .
C21 C 0.1569(2) 0.32162(19) 0.80373(17) 0.0290(4) Uani 1 1 d . . .
H21 H 0.2234 0.2607 0.8188 0.035 Uiso 1 1 calc R . .
C22 C 0.0557(2) 0.3530(2) 0.86185(19) 0.0367(5) Uani 1 1 d . . .
H22 H 0.0544 0.3141 0.9171 0.044 Uiso 1 1 calc R . .
C23 C -0.0422(2) 0.4398(2) 0.83965(19) 0.0362(5) Uani 1 1 d . . .
H23 H -0.1135 0.4585 0.8771 0.043 Uiso 1 1 calc R . .
C24 C -0.0363(2) 0.4995(2) 0.7628(2) 0.0372(5) Uani 1 1 d . . .
H24 H -0.1019 0.5616 0.7491 0.045 Uiso 1 1 calc R . .
C25 C 0.0646(2) 0.4697(2) 0.70538(18) 0.0314(4) Uani 1 1 d . . .
H25 H 0.0679 0.5117 0.6528 0.038 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
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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
C5 Pd N1 170.83(6) . . ?
C5 Pd N2 81.43(6) . . ?
N1 Pd N2 100.68(6) . . ?
C5 Pd P 97.41(5) . . ?
N1 Pd P 82.74(4) . . ?
N2 Pd P 165.63(4) . . ?
C4 P C14 106.86(8) . . ?
C4 P C20 109.15(8) . . ?
C14 P C20 102.06(8) . . ?
C4 P Pd 102.80(6) . . ?
C14 P Pd 126.22(6) . . ?
C20 P Pd 109.12(6) . . ?
C3 N1 C1 113.35(16) . . ?
C3 N1 Pd 115.36(12) . . ?
C1 N1 Pd 131.14(13) . . ?
C13 N2 C12 108.97(16) . . ?
C13 N2 C11 109.76(15) . . ?
C12 N2 C11 107.84(14) . . ?
C13 N2 Pd 110.57(11) . . ?
C12 N2 Pd 116.05(12) . . ?
C11 N2 Pd 103.38(11) . . ?
C3 S C2 90.12(10) . . ?
N1 C1 C2 108.83(18) . . ?
N1 C1 H1A 109.9 . . ?
C2 C1 H1A 109.9 . . ?
N1 C1 H1B 109.9 . . ?
C2 C1 H1B 109.9 . . ?
H1A C1 H1B 108.3 . . ?
C1 C2 S 104.91(15) . . ?
C1 C2 H2A 110.8 . . ?
S C2 H2A 110.8 . . ?
C1 C2 H2B 110.8 . . ?
S C2 H2B 110.8 . . ?
H2A C2 H2B 108.8 . . ?
N1 C3 C4 125.33(16) . . ?
N1 C3 S 113.70(13) . . ?
C4 C3 S 120.97(14) . . ?
C3 C4 P 113.16(13) . . ?
C3 C4 H4 123.4 . . ?
P C4 H4 123.4 . . ?
C6 C5 C10 117.27(16) . . ?
C6 C5 Pd 128.77(13) . . ?
C10 C5 Pd 113.33(13) . . ?
C7 C6 C5 121.37(17) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C8 C7 C6 120.41(18) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 119.53(18) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C8 C9 C10 120.07(18) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 C5 121.29(17) . . ?
C9 C10 C11 122.27(17) . . ?
C5 C10 C11 116.44(16) . . ?
N2 C11 C10 109.32(14) . . ?
N2 C11 H11A 109.8 . . ?
C10 C11 H11A 109.8 . . ?
N2 C11 H11B 109.8 . . ?
C10 C11 H11B 109.8 . . ?
H11A C11 H11B 108.3 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 H13A 109.5 . . ?
N2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 118.85(16) . . ?
C19 C14 P 122.17(13) . . ?
C15 C14 P 118.97(13) . . ?
C16 C15 C14 120.48(17) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 120.20(17) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 119.96(17) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C19 120.02(18) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C14 120.47(17) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?
C25 C20 C21 118.64(16) . . ?
C25 C20 P 119.38(13) . . ?
C21 C20 P 121.94(14) . . ?
C20 C21 C22 120.29(18) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 120.33(18) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 119.66(18) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C23 C24 C25 120.34(19) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C24 C25 C20 120.69(18) . . ?
C24 C25 H25 119.7 . . ?
C20 C25 H25 119.7 . . ?
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
Pd C5 2.0097(17) . ?
Pd N1 2.1174(15) . ?
Pd N2 2.1811(15) . ?
Pd P 2.2410(5) . ?
P C4 1.7490(17) . ?
P C14 1.8211(17) . ?
P C20 1.8307(16) . ?
N1 C3 1.330(2) . ?
N1 C1 1.455(2) . ?
N2 C13 1.479(2) . ?
N2 C12 1.481(2) . ?
N2 C11 1.496(2) . ?
S C3 1.7798(17) . ?
S C2 1.808(3) . ?
C1 C2 1.515(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.375(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.400(2) . ?
C5 C10 1.406(2) . ?
C6 C7 1.389(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.387(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.499(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.391(2) . ?
C14 C15 1.397(2) . ?
C15 C16 1.386(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.388(3) . ?
C20 C21 1.389(2) . ?
C21 C22 1.393(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.375(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(3) . ?
C24 H24 0.9500 . ?
C25 H25 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 Pd P C4 164.64(8) . . . . ?
N1 Pd P C4 -6.12(7) . . . . ?
N2 Pd P C4 -110.96(17) . . . . ?
C5 Pd P C14 42.29(8) . . . . ?
N1 Pd P C14 -128.47(8) . . . . ?
N2 Pd P C14 126.70(18) . . . . ?
C5 Pd P C20 -79.59(7) . . . . ?
N1 Pd P C20 109.65(7) . . . . ?
N2 Pd P C20 4.82(18) . . . . ?
N2 Pd N1 C3 170.50(12) . . . . ?
P Pd N1 C3 4.63(12) . . . . ?
N2 Pd N1 C1 -4.85(18) . . . . ?
P Pd N1 C1 -170.72(17) . . . . ?
C5 Pd N2 C13 -85.92(13) . . . . ?
N1 Pd N2 C13 85.03(13) . . . . ?
P Pd N2 C13 -172.35(13) . . . . ?
C5 Pd N2 C12 149.33(14) . . . . ?
N1 Pd N2 C12 -39.72(14) . . . . ?
P Pd N2 C12 62.9(2) . . . . ?
C5 Pd N2 C11 31.49(11) . . . . ?
N1 Pd N2 C11 -157.55(10) . . . . ?
P Pd N2 C11 -54.9(2) . . . . ?
C3 N1 C1 C2 23.7(2) . . . . ?
Pd N1 C1 C2 -160.86(16) . . . . ?
N1 C1 C2 S -31.3(2) . . . . ?
C3 S C2 C1 24.67(17) . . . . ?
C1 N1 C3 C4 175.59(17) . . . . ?
Pd N1 C3 C4 -0.6(2) . . . . ?
C1 N1 C3 S -4.1(2) . . . . ?
Pd N1 C3 S 179.71(7) . . . . ?
C2 S C3 N1 -13.12(15) . . . . ?
C2 S C3 C4 167.17(16) . . . . ?
N1 C3 C4 P -5.4(2) . . . . ?
S C3 C4 P 174.24(9) . . . . ?
C14 P C4 C3 142.40(13) . . . . ?
C20 P C4 C3 -107.94(13) . . . . ?
Pd P C4 C3 7.81(14) . . . . ?
N2 Pd C5 C6 155.38(17) . . . . ?
P Pd C5 C6 -39.08(16) . . . . ?
N2 Pd C5 C10 -15.21(12) . . . . ?
P Pd C5 C10 150.33(12) . . . . ?
C10 C5 C6 C7 -2.2(3) . . . . ?
Pd C5 C6 C7 -172.44(14) . . . . ?
C5 C6 C7 C8 0.4(3) . . . . ?
C6 C7 C8 C9 1.5(3) . . . . ?
C7 C8 C9 C10 -1.5(3) . . . . ?
C8 C9 C10 C5 -0.3(3) . . . . ?
C8 C9 C10 C11 178.94(18) . . . . ?
C6 C5 C10 C9 2.1(3) . . . . ?
Pd C5 C10 C9 173.86(14) . . . . ?
C6 C5 C10 C11 -177.18(16) . . . . ?
Pd C5 C10 C11 -5.4(2) . . . . ?
C13 N2 C11 C10 76.33(19) . . . . ?
C12 N2 C11 C10 -165.08(16) . . . . ?
Pd N2 C11 C10 -41.65(16) . . . . ?
C9 C10 C11 N2 -145.39(17) . . . . ?
C5 C10 C11 N2 33.9(2) . . . . ?
C4 P C14 C19 141.77(15) . . . . ?
C20 P C14 C19 27.23(17) . . . . ?
Pd P C14 C19 -97.64(15) . . . . ?
C4 P C14 C15 -38.66(16) . . . . ?
C20 P C14 C15 -153.20(14) . . . . ?
Pd P C14 C15 81.93(14) . . . . ?
C19 C14 C15 C16 -0.3(3) . . . . ?
P C14 C15 C16 -179.91(14) . . . . ?
C14 C15 C16 C17 0.9(3) . . . . ?
C15 C16 C17 C18 -1.0(3) . . . . ?
C16 C17 C18 C19 0.4(3) . . . . ?
C17 C18 C19 C14 0.2(3) . . . . ?
C15 C14 C19 C18 -0.2(3) . . . . ?
P C14 C19 C18 179.34(15) . . . . ?
C4 P C20 C25 -36.74(17) . . . . ?
C14 P C20 C25 76.10(16) . . . . ?
Pd P C20 C25 -148.37(14) . . . . ?
C4 P C20 C21 141.05(15) . . . . ?
C14 P C20 C21 -106.11(15) . . . . ?
Pd P C20 C21 29.42(16) . . . . ?
C25 C20 C21 C22 1.3(3) . . . . ?
P C20 C21 C22 -176.55(15) . . . . ?
C20 C21 C22 C23 0.8(3) . . . . ?
C21 C22 C23 C24 -2.3(3) . . . . ?
C22 C23 C24 C25 1.8(3) . . . . ?
C23 C24 C25 C20 0.2(3) . . . . ?
C21 C20 C25 C24 -1.7(3) . . . . ?
P C20 C25 C24 176.13(16) . . . . ?
