#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:09:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179233 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/53/4315339.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_4315339
loop_
_publ_author_name
'Allen T. Ekubo'
'Mark R. J. Elsegood'
'Andrew J. Lake'
'Martin B. Smith'
_publ_section_title
;
 Unusual Metal-Coordinated Zwitterionic P-C-N-C-N-C Phosphido Adducts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3703
_journal_page_last               3705
_journal_paper_doi               10.1021/ic1002308
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C34 H40 Cl F3 N4 P Pd 1+, Cl 1-'
_chemical_formula_sum            'C34 H40 Cl2 F3 N4 P Pd'
_chemical_formula_weight         769.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.817(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3089(7)
_cell_length_b                   9.5474(4)
_cell_length_c                   23.2240(10)
_cell_measurement_reflns_used    6696
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.18
_cell_measurement_theta_min      2.44
_cell_volume                     3495.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX 2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX 2 CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69430
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            34142
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        3
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.775
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2008/1, Sheldrick, G.M., (2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.636
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     414
_refine_ls_number_reflns         8666
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0349
_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)+(0.0406P)²+0.6658P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                6710
_reflns_number_total             8666
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic1002308_si_002_1.cif
_cod_data_source_block           1
_cod_database_code               4315339
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Pd1 Pd 0.211560(11) 0.364815(19) -0.004629(8) 0.02230(6) Uani 1 1 d . . .
Cl1 Cl 0.13180(4) 0.57317(7) -0.03818(3) 0.03359(15) Uani 1 1 d . . .
P1 P 0.14238(4) 0.32164(6) 0.06453(3) 0.02132(13) Uani 1 1 d . . .
C1 C 0.04755(14) 0.2104(3) 0.04354(10) 0.0246(5) Uani 1 1 d . . .
H1D H 0.0037 0.2606 0.0132 0.030 Uiso 1 1 calc R . .
H1C H 0.0622 0.1242 0.0247 0.030 Uiso 1 1 calc R . .
N1 N 0.01015(12) 0.1692(2) 0.09345(9) 0.0232(4) Uani 1 1 d . . .
H1B H 0.0033(16) 0.235(3) 0.1130(12) 0.028 Uiso 1 1 d . . .
H1A H 0.0485(17) 0.112(3) 0.1182(12) 0.028 Uiso 1 1 d . . .
C2 C -0.07069(15) 0.0875(3) 0.07181(11) 0.0288(5) Uani 1 1 d . . .
H2A H -0.0593 0.0030 0.0504 0.035 Uiso 1 1 calc R . .
H2B H -0.1126 0.1456 0.0434 0.035 Uiso 1 1 calc R . .
C3 C -0.10762(15) 0.0437(3) 0.12237(11) 0.0273(5) Uani 1 1 d . . .
C4 C -0.08319(16) -0.0817(3) 0.15211(13) 0.0370(6) Uani 1 1 d . . .
H4 H -0.0420 -0.1389 0.1411 0.044 Uiso 1 1 calc R . .
C5 C -0.11821(18) -0.1243(3) 0.19752(14) 0.0430(7) Uani 1 1 d . . .
H5 H -0.1015 -0.2102 0.2178 0.052 Uiso 1 1 calc R . .
C6 C -0.17719(18) -0.0405(3) 0.21258(13) 0.0414(7) Uani 1 1 d . . .
F1 F -0.21056(13) -0.0822(2) 0.25821(9) 0.0646(6) Uani 1 1 d . . .
C7 C -0.20430(19) 0.0811(4) 0.18396(15) 0.0478(8) Uani 1 1 d . . .
H7 H -0.2463 0.1365 0.1949 0.057 Uiso 1 1 calc R . .
C8 C -0.16910(18) 0.1228(3) 0.13806(14) 0.0396(7) Uani 1 1 d . . .
H8 H -0.1878 0.2073 0.1172 0.048 Uiso 1 1 calc R . .
C9 C 0.10217(15) 0.4770(2) 0.09417(10) 0.0250(5) Uani 1 1 d . . .
H9A H 0.1476 0.5483 0.1048 0.030 Uiso 1 1 calc R . .
H9B H 0.0546 0.5174 0.0633 0.030 Uiso 1 1 calc R . .
N2 N 0.07292(12) 0.4406(2) 0.14714(8) 0.0228(4) Uani 1 1 d . . .
C10 C 0.20946(14) 0.2463(3) 0.13282(10) 0.0244(5) Uani 1 1 d . . .
H10A H 0.2252 0.1493 0.1249 0.029 Uiso 1 1 calc R . .
H10B H 0.2622 0.3018 0.1458 0.029 Uiso 1 1 calc R . .
N3 N 0.16539(11) 0.2451(2) 0.18012(8) 0.0215(4) Uani 1 1 d . . .
C11 C 0.14319(14) 0.3862(2) 0.19468(10) 0.0233(5) Uani 1 1 d . . .
H11A H 0.1931 0.4484 0.1996 0.028 Uiso 1 1 calc R . .
H11B H 0.1264 0.3847 0.2327 0.028 Uiso 1 1 calc R . .
C12 C 0.03527(17) 0.5668(3) 0.16749(11) 0.0306(5) Uani 1 1 d . . .
H12A H -0.0127 0.6008 0.1352 0.037 Uiso 1 1 calc R . .
H12B H 0.0783 0.6422 0.1771 0.037 Uiso 1 1 calc R . .
C13 C 0.00444(17) 0.5334(3) 0.22151(12) 0.0317(6) Uani 1 1 d . . .
C14 C 0.0418(2) 0.5906(4) 0.27654(13) 0.0471(8) Uani 1 1 d . . .
H14 H 0.0848 0.6594 0.2798 0.057 Uiso 1 1 calc R . .
C15 C 0.0179(3) 0.5495(5) 0.32742(15) 0.0687(11) Uani 1 1 d . . .
H15 H 0.0440 0.5881 0.3654 0.082 Uiso 1 1 calc R . .
C16 C -0.0449(3) 0.4512(5) 0.32040(17) 0.0781(13) Uani 1 1 d . . .
F2 F -0.0677(2) 0.4042(4) 0.36978(11) 0.1300(13) Uani 1 1 d . . .
C17 C -0.0847(2) 0.3938(5) 0.26744(17) 0.0670(11) Uani 1 1 d . . .
H17 H -0.1283 0.3263 0.2646 0.080 Uiso 1 1 calc R . .
C18 C -0.05973(18) 0.4364(3) 0.21752(13) 0.0422(7) Uani 1 1 d . . .
H18 H -0.0873 0.3983 0.1797 0.051 Uiso 1 1 calc R . .
C19 C 0.21764(15) 0.1735(3) 0.23327(11) 0.0302(6) Uani 1 1 d . . .
H19A H 0.2652 0.2353 0.2531 0.036 Uiso 1 1 calc R . .
H19B H 0.2419 0.0871 0.2208 0.036 Uiso 1 1 calc R . .
C20 C 0.16667(15) 0.1360(3) 0.27699(11) 0.0282(5) Uani 1 1 d . . .
C21 C 0.1785(2) 0.2029(4) 0.33066(12) 0.0460(8) Uani 1 1 d . . .
H21 H 0.2203 0.2743 0.3411 0.055 Uiso 1 1 calc R . .
C22 C 0.1304(2) 0.1679(4) 0.37025(14) 0.0598(10) Uani 1 1 d . . .
H22 H 0.1379 0.2161 0.4070 0.072 Uiso 1 1 calc R . .
C23 C 0.07257(19) 0.0635(3) 0.35505(12) 0.0418(7) Uani 1 1 d . . .
F3 F 0.02483(12) 0.0283(2) 0.39374(8) 0.0606(5) Uani 1 1 d . . .
C24 C 0.05915(18) -0.0082(3) 0.30240(12) 0.0398(7) Uani 1 1 d . . .
H24 H 0.0186 -0.0816 0.2930 0.048 Uiso 1 1 calc R . .
C25 C 0.10659(17) 0.0296(3) 0.26329(12) 0.0359(6) Uani 1 1 d . . .
H25 H 0.0980 -0.0181 0.2263 0.043 Uiso 1 1 calc R . .
C26 C 0.27300(14) 0.1820(3) 0.00882(10) 0.0233(5) Uani 1 1 d . . .
C27 C 0.24339(15) 0.0522(3) 0.02223(11) 0.0259(5) Uani 1 1 d . . .
H27 H 0.1917 0.0476 0.0339 0.031 Uiso 1 1 calc R . .
C28 C 0.28757(15) -0.0699(3) 0.01897(12) 0.0309(6) Uani 1 1 d . . .
H28 H 0.2658 -0.1571 0.0280 0.037 Uiso 1 1 calc R . .
C29 C 0.36355(16) -0.0656(3) 0.00256(12) 0.0351(6) Uani 1 1 d . . .
H29 H 0.3944 -0.1493 0.0007 0.042 Uiso 1 1 calc R . .
C30 C 0.39385(16) 0.0623(3) -0.01113(12) 0.0320(6) Uani 1 1 d . . .
H30 H 0.4456 0.0662 -0.0227 0.038 Uiso 1 1 calc R . .
C31 C 0.34952(15) 0.1844(3) -0.00809(10) 0.0256(5) Uani 1 1 d . . .
C32 C 0.37871(15) 0.3237(3) -0.02433(12) 0.0296(5) Uani 1 1 d . . .
H32A H 0.4105 0.3732 0.0120 0.035 Uiso 1 1 calc R . .
H32B H 0.4168 0.3111 -0.0510 0.035 Uiso 1 1 calc R . .
N4 N 0.30283(13) 0.4073(2) -0.05511(9) 0.0279(4) Uani 1 1 d . . .
C33 C 0.32767(19) 0.5558(3) -0.05602(15) 0.0454(8) Uani 1 1 d . . .
H33A H 0.3750 0.5640 -0.0746 0.068 Uiso 1 1 calc R . .
H33B H 0.3451 0.5916 -0.0151 0.068 Uiso 1 1 calc R . .
H33C H 0.2794 0.6104 -0.0789 0.068 Uiso 1 1 calc R . .
C34 C 0.27080(19) 0.3566(3) -0.11663(12) 0.0418(7) Uani 1 1 d . . .
H34A H 0.2188 0.4074 -0.1360 0.063 Uiso 1 1 calc R . .
H34B H 0.2585 0.2562 -0.1161 0.063 Uiso 1 1 calc R . .
H34C H 0.3137 0.3725 -0.1387 0.063 Uiso 1 1 calc R . .
Cl2 Cl 0.11653(4) -0.10188(6) 0.11253(3) 0.03484(15) Uani 1 1 d . . .
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C26 Pd1 N4 82.01(9) . . ?
C26 Pd1 P1 92.98(7) . . ?
N4 Pd1 P1 167.34(6) . . ?
C26 Pd1 Cl1 170.31(7) . . ?
N4 Pd1 Cl1 93.43(6) . . ?
P1 Pd1 Cl1 93.16(2) . . ?
C9 P1 C10 100.70(11) . . ?
C9 P1 C1 102.14(11) . . ?
C10 P1 C1 106.22(11) . . ?
C9 P1 Pd1 114.77(8) . . ?
C10 P1 Pd1 113.44(8) . . ?
C1 P1 Pd1 117.62(8) . . ?
N1 C1 P1 115.45(16) . . ?
C1 N1 C2 112.00(18) . . ?
N1 C2 C3 112.0(2) . . ?
C8 C3 C4 118.5(2) . . ?
C8 C3 C2 121.1(2) . . ?
C4 C3 C2 120.3(2) . . ?
C5 C4 C3 120.7(3) . . ?
C6 C5 C4 118.6(3) . . ?
C7 C6 C5 122.7(3) . . ?
C7 C6 F1 119.0(3) . . ?
C5 C6 F1 118.3(3) . . ?
C6 C7 C8 118.3(3) . . ?
C3 C8 C7 121.1(3) . . ?
N2 C9 P1 110.38(15) . . ?
C11 N2 C9 110.79(18) . . ?
C11 N2 C12 110.79(18) . . ?
C9 N2 C12 108.90(18) . . ?
N3 C10 P1 110.83(15) . . ?
C11 N3 C10 111.54(18) . . ?
C11 N3 C19 111.00(19) . . ?
C10 N3 C19 110.08(17) . . ?
N3 C11 N2 110.19(18) . . ?
N2 C12 C13 110.4(2) . . ?
C14 C13 C18 118.3(3) . . ?
C14 C13 C12 121.8(3) . . ?
C18 C13 C12 119.7(2) . . ?
C13 C14 C15 121.4(3) . . ?
C16 C15 C14 117.1(3) . . ?
C17 C16 C15 123.9(3) . . ?
C17 C16 F2 117.3(4) . . ?
C15 C16 F2 118.7(4) . . ?
C16 C17 C18 117.8(4) . . ?
C13 C18 C17 121.3(3) . . ?
N3 C19 C20 111.88(19) . . ?
C21 C20 C25 118.4(2) . . ?
C21 C20 C19 121.8(2) . . ?
C25 C20 C19 119.7(2) . . ?
C20 C21 C22 121.1(3) . . ?
C23 C22 C21 118.5(3) . . ?
C22 C23 C24 122.8(3) . . ?
C22 C23 F3 118.9(3) . . ?
C24 C23 F3 118.3(3) . . ?
C23 C24 C25 117.8(3) . . ?
C24 C25 C20 121.3(3) . . ?
C27 C26 C31 117.5(2) . . ?
C27 C26 Pd1 128.56(17) . . ?
C31 C26 Pd1 112.89(17) . . ?
C28 C27 C26 121.5(2) . . ?
C27 C28 C29 120.4(2) . . ?
C30 C29 C28 119.0(2) . . ?
C31 C30 C29 120.7(2) . . ?
C30 C31 C26 121.0(2) . . ?
C30 C31 C32 122.2(2) . . ?
C26 C31 C32 116.7(2) . . ?
N4 C32 C31 108.58(19) . . ?
C34 N4 C33 109.4(2) . . ?
C34 N4 C32 109.5(2) . . ?
C33 N4 C32 108.9(2) . . ?
C34 N4 Pd1 110.05(16) . . ?
C33 N4 Pd1 114.76(16) . . ?
C32 N4 Pd1 104.00(14) . . ?
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
Pd1 C26 1.997(2) . ?
Pd1 N4 2.156(2) . ?
Pd1 P1 2.2247(6) . ?
Pd1 Cl1 2.3955(6) . ?
P1 C9 1.826(2) . ?
P1 C10 1.828(2) . ?
P1 C1 1.836(2) . ?
C1 N1 1.494(3) . ?
N1 C2 1.503(3) . ?
C2 C3 1.509(3) . ?
C3 C8 1.377(3) . ?
C3 C4 1.389(4) . ?
C4 C5 1.383(4) . ?
C5 C6 1.364(4) . ?
C6 C7 1.354(4) . ?
C6 F1 1.368(3) . ?
C7 C8 1.392(4) . ?
C9 N2 1.470(3) . ?
N2 C11 1.468(3) . ?
N2 C12 1.484(3) . ?
C10 N3 1.458(3) . ?
N3 C11 1.457(3) . ?
N3 C19 1.476(3) . ?
C12 C13 1.501(3) . ?
C13 C14 1.380(4) . ?
C13 C18 1.383(4) . ?
C14 C15 1.393(5) . ?
C15 C16 1.366(6) . ?
C16 C17 1.352(5) . ?
C16 F2 1.369(4) . ?
C17 C18 1.384(4) . ?
C19 C20 1.511(3) . ?
C20 C21 1.369(4) . ?
C20 C25 1.391(4) . ?
C21 C22 1.394(4) . ?
C22 C23 1.355(4) . ?
C23 C24 1.369(4) . ?
C23 F3 1.373(3) . ?
C24 C25 1.383(4) . ?
C26 C27 1.394(3) . ?
C26 C31 1.401(3) . ?
C27 C28 1.383(3) . ?
C28 C29 1.387(3) . ?
C29 C30 1.385(4) . ?
C30 C31 1.383(3) . ?
C31 C32 1.493(3) . ?
C32 N4 1.493(3) . ?
N4 C34 1.472(3) . ?
N4 C33 1.476(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1B N2 0.80(3) 2.31(3) 2.944(3) 137(2) .
N1 H1A Cl2 0.91(3) 2.35(3) 3.084(2) 138(2) .
N1 H1A N3 0.91(3) 2.43(3) 2.895(3) 111.8(19) .
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
C26 Pd1 P1 C9 158.45(11) . . . . ?
N4 Pd1 P1 C9 92.2(3) . . . . ?
Cl1 Pd1 P1 C9 -29.05(9) . . . . ?
C26 Pd1 P1 C10 43.43(11) . . . . ?
N4 Pd1 P1 C10 -22.8(3) . . . . ?
Cl1 Pd1 P1 C10 -144.07(9) . . . . ?
C26 Pd1 P1 C1 -81.35(11) . . . . ?
N4 Pd1 P1 C1 -147.6(3) . . . . ?
Cl1 Pd1 P1 C1 91.15(9) . . . . ?
C9 P1 C1 N1 -61.16(19) . . . . ?
C10 P1 C1 N1 43.9(2) . . . . ?
Pd1 P1 C1 N1 172.23(14) . . . . ?
P1 C1 N1 C2 175.74(16) . . . . ?
C1 N1 C2 C3 179.0(2) . . . . ?
N1 C2 C3 C8 95.0(3) . . . . ?
N1 C2 C3 C4 -88.3(3) . . . . ?
C8 C3 C4 C5 -1.7(4) . . . . ?
C2 C3 C4 C5 -178.4(2) . . . . ?
C3 C4 C5 C6 -0.1(4) . . . . ?
C4 C5 C6 C7 1.6(5) . . . . ?
C4 C5 C6 F1 -179.0(3) . . . . ?
C5 C6 C7 C8 -1.2(5) . . . . ?
F1 C6 C7 C8 179.3(3) . . . . ?
C4 C3 C8 C7 2.1(4) . . . . ?
C2 C3 C8 C7 178.8(3) . . . . ?
C6 C7 C8 C3 -0.7(5) . . . . ?
C10 P1 C9 N2 -46.57(19) . . . . ?
C1 P1 C9 N2 62.78(18) . . . . ?
Pd1 P1 C9 N2 -168.78(13) . . . . ?
P1 C9 N2 C11 61.8(2) . . . . ?
P1 C9 N2 C12 -176.10(16) . . . . ?
C9 P1 C10 N3 46.06(19) . . . . ?
C1 P1 C10 N3 -60.07(19) . . . . ?
Pd1 P1 C10 N3 169.20(13) . . . . ?
P1 C10 N3 C11 -60.9(2) . . . . ?
P1 C10 N3 C19 175.39(16) . . . . ?
C10 N3 C11 N2 73.0(2) . . . . ?
C19 N3 C11 N2 -163.89(18) . . . . ?
C9 N2 C11 N3 -73.4(2) . . . . ?
C12 N2 C11 N3 165.67(18) . . . . ?
C11 N2 C12 C13 -58.1(3) . . . . ?
C9 N2 C12 C13 179.8(2) . . . . ?
N2 C12 C13 C14 113.0(3) . . . . ?
N2 C12 C13 C18 -62.9(3) . . . . ?
C18 C13 C14 C15 1.9(5) . . . . ?
C12 C13 C14 C15 -174.2(3) . . . . ?
C13 C14 C15 C16 -0.7(6) . . . . ?
C14 C15 C16 C17 -0.6(7) . . . . ?
C14 C15 C16 F2 177.4(4) . . . . ?
C15 C16 C17 C18 0.6(7) . . . . ?
F2 C16 C17 C18 -177.5(4) . . . . ?
C14 C13 C18 C17 -1.9(5) . . . . ?
C12 C13 C18 C17 174.2(3) . . . . ?
C16 C17 C18 C13 0.7(6) . . . . ?
C11 N3 C19 C20 71.0(3) . . . . ?
C10 N3 C19 C20 -165.1(2) . . . . ?
N3 C19 C20 C21 -109.7(3) . . . . ?
N3 C19 C20 C25 71.1(3) . . . . ?
C25 C20 C21 C22 -1.5(5) . . . . ?
C19 C20 C21 C22 179.4(3) . . . . ?
C20 C21 C22 C23 1.5(6) . . . . ?
C21 C22 C23 C24 -0.4(6) . . . . ?
C21 C22 C23 F3 180.0(3) . . . . ?
C22 C23 C24 C25 -0.6(5) . . . . ?
F3 C23 C24 C25 179.0(3) . . . . ?
C23 C24 C25 C20 0.6(4) . . . . ?
C21 C20 C25 C24 0.4(4) . . . . ?
C19 C20 C25 C24 179.6(2) . . . . ?
N4 Pd1 C26 C27 -155.1(2) . . . . ?
P1 Pd1 C26 C27 36.6(2) . . . . ?
N4 Pd1 C26 C31 12.72(17) . . . . ?
P1 Pd1 C26 C31 -155.59(17) . . . . ?
C31 C26 C27 C28 -0.1(3) . . . . ?
Pd1 C26 C27 C28 167.28(19) . . . . ?
C26 C27 C28 C29 0.5(4) . . . . ?
C27 C28 C29 C30 -0.7(4) . . . . ?
C28 C29 C30 C31 0.5(4) . . . . ?
C29 C30 C31 C26 -0.1(4) . . . . ?
C29 C30 C31 C32 -178.0(2) . . . . ?
C27 C26 C31 C30 -0.2(4) . . . . ?
Pd1 C26 C31 C30 -169.46(19) . . . . ?
C27 C26 C31 C32 177.9(2) . . . . ?
Pd1 C26 C31 C32 8.6(3) . . . . ?
C30 C31 C32 N4 142.6(2) . . . . ?
C26 C31 C32 N4 -35.5(3) . . . . ?
C31 C32 N4 C34 -76.3(2) . . . . ?
C31 C32 N4 C33 164.1(2) . . . . ?
C31 C32 N4 Pd1 41.3(2) . . . . ?
C26 Pd1 N4 C34 86.99(17) . . . . ?
P1 Pd1 N4 C34 154.3(2) . . . . ?
Cl1 Pd1 N4 C34 -84.41(16) . . . . ?
C26 Pd1 N4 C33 -149.1(2) . . . . ?
P1 Pd1 N4 C33 -81.7(3) . . . . ?
Cl1 Pd1 N4 C33 39.54(19) . . . . ?
C26 Pd1 N4 C32 -30.22(16) . . . . ?
P1 Pd1 N4 C32 37.1(4) . . . . ?
Cl1 Pd1 N4 C32 158.38(15) . . . . ?
