#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:35:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179755 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/51/7005131.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_7005131
loop_
_publ_author_name
'Agostinho, Magno'
'Braunstein, Pierre'
'Welter, Richard'
_publ_section_title
;
 Phosphinito- and phosphonito-oxazoline Pd(II) complexes as CO/ethylene
 insertion intermediates: synthesis and structural characterization.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              759
_journal_page_last               770
_journal_paper_doi               10.1039/b616962g
_journal_year                    2007
_chemical_formula_moiety         'C22 H25 N O4 P Pd, C F3 S O3'
_chemical_formula_sum            'C23 H25 F3 N O7 P Pd S'
_chemical_formula_weight         653.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             22-1-05
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.5330(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.6170(5)
_cell_length_b                   12.4040(6)
_cell_length_c                   11.6760(13)
_cell_measurement_reflns_used    6211
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     2610.0(3)
_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 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0510
_diffrn_reflns_av_sigmaI/netI    0.0987
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13289
_diffrn_reflns_theta_full        30.49
_diffrn_reflns_theta_max         30.49
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.917
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.269
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         7710
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.1534
_refine_ls_R_factor_gt           0.0668
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+10.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1374
_refine_ls_wR_factor_ref         0.1823
_reflns_number_gt                3858
_reflns_number_total             7710
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616962g.txt
_cod_data_source_block           compound14a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' 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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7005131
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pd Pd 0.20932(2) 0.05413(4) -0.12510(4) 0.04971(16) Uani 1 1 d . . .
S S 0.21420(13) 0.04114(16) 0.3300(2) 0.0806(6) Uani 1 1 d . . .
P P 0.29500(9) -0.03135(12) -0.18183(14) 0.0496(4) Uani 1 1 d . . .
F2 F 0.1864(4) -0.1625(4) 0.3309(7) 0.154(3) Uani 1 1 d . . .
F3 F 0.2659(7) -0.1178(6) 0.2379(10) 0.235(5) Uani 1 1 d . . .
F1 F 0.2878(6) -0.1189(9) 0.4038(15) 0.287(8) Uani 1 1 d . . .
O1 O 0.0718(3) -0.1534(4) -0.3743(5) 0.0857(15) Uani 1 1 d . . .
O2 O 0.2649(2) -0.1269(3) -0.2709(3) 0.0574(10) Uani 1 1 d . . .
O3 O 0.3424(2) 0.0458(3) -0.2450(4) 0.0606(11) Uani 1 1 d . . .
O4 O 0.1418(2) 0.1518(4) -0.0451(4) 0.0627(11) Uani 1 1 d . . .
O5 O 0.2744(4) 0.0998(5) 0.3191(8) 0.130(3) Uani 1 1 d . . .
O6 O 0.1723(5) 0.0466(6) 0.4092(8) 0.154(3) Uani 1 1 d . . .
O7 O 0.1572(5) 0.0552(9) 0.2150(9) 0.209(5) Uani 1 1 d . . .
N N 0.1234(3) -0.0423(4) -0.2301(5) 0.0555(12) Uani 1 1 d . . .
C1 C 0.0455(6) -0.0954(8) -0.1011(9) 0.112(3) Uani 1 1 d . . .
H1A H 0.0806 -0.1555 -0.0820 0.168 Uiso 1 1 calc . . .
H1B H -0.0045 -0.1208 -0.1019 0.168 Uiso 1 1 calc . . .
H1C H 0.0602 -0.0386 -0.0414 0.168 Uiso 1 1 calc . . .
C2 C 0.0090(4) 0.0588(7) -0.2411(10) 0.100(3) Uani 1 1 d . . .
H2A H 0.0323 0.1073 -0.1761 0.151 Uiso 1 1 calc . . .
H2B H -0.0439 0.0517 -0.2448 0.151 Uiso 1 1 calc . . .
H2C H 0.0150 0.0884 -0.3160 0.151 Uiso 1 1 calc . . .
C3 C 0.0457(4) -0.0512(6) -0.2202(7) 0.0704(19) Uani 1 1 d . . .
C4 C 0.0123(5) -0.1282(8) -0.3179(9) 0.111(3) Uani 1 1 d . . .
H4A H -0.0053 -0.1942 -0.2859 0.133 Uiso 1 1 calc . . .
H4B H -0.0301 -0.0944 -0.3752 0.133 Uiso 1 1 calc . . .
C5 C 0.1308(4) -0.0998(5) -0.3148(6) 0.0605(16) Uani 1 1 d . . .
C6 C 0.1982(4) -0.1169(6) -0.3602(6) 0.0694(19) Uani 1 1 d . . .
H6A H 0.1911 -0.1829 -0.4094 0.083 Uiso 1 1 calc . . .
H6B H 0.2031 -0.0554 -0.4119 0.083 Uiso 1 1 calc . . .
C7 C 0.2894(4) 0.1489(6) -0.0292(8) 0.088(3) Uani 1 1 d . . .
H7A H 0.3315 0.1044 0.0151 0.105 Uiso 1 1 calc . . .
H7B H 0.3080 0.1985 -0.0817 0.105 Uiso 1 1 calc . . .
C8 C 0.4120(3) 0.0184(5) -0.2621(5) 0.0530(14) Uani 1 1 d . . .
C9 C 0.4323(4) 0.0729(5) -0.3511(6) 0.0675(18) Uani 1 1 d . . .
H9 H 0.3986 0.1214 -0.4000 0.081 Uiso 1 1 calc . . .
C10 C 0.5019(5) 0.0570(6) -0.3694(7) 0.078(2) Uani 1 1 d . . .
H10 H 0.5171 0.0960 -0.4293 0.093 Uiso 1 1 calc . . .
C11 C 0.5480(4) -0.0144(7) -0.3016(7) 0.074(2) Uani 1 1 d . . .
H11 H 0.5954 -0.0273 -0.3154 0.089 Uiso 1 1 calc . . .
C12 C 0.5274(4) -0.0684(5) -0.2132(6) 0.0639(17) Uani 1 1 d . . .
H12 H 0.5612 -0.1177 -0.1658 0.077 Uiso 1 1 calc . . .
C13 C 0.4576(3) -0.0531(4) -0.1903(5) 0.0475(13) Uani 1 1 d . . .
C14 C 0.4362(3) -0.1069(4) -0.0909(5) 0.0475(13) Uani 1 1 d . . .
C15 C 0.4868(4) -0.1632(5) -0.0049(6) 0.0633(17) Uani 1 1 d . . .
H15 H 0.5370 -0.1680 -0.0092 0.076 Uiso 1 1 calc . . .
C16 C 0.4656(5) -0.2117(5) 0.0857(6) 0.073(2) Uani 1 1 d . . .
H16 H 0.5016 -0.2508 0.1426 0.088 Uiso 1 1 calc . . .
C17 C 0.3950(5) -0.2063(6) 0.0979(6) 0.074(2) Uani 1 1 d . . .
H17 H 0.3817 -0.2410 0.1622 0.089 Uiso 1 1 calc . . .
C18 C 0.3437(4) -0.1502(5) 0.0159(6) 0.0656(17) Uani 1 1 d . . .
H18 H 0.2942 -0.1448 0.0232 0.079 Uiso 1 1 calc . . .
C19 C 0.3638(3) -0.1010(4) -0.0780(5) 0.0492(14) Uani 1 1 d . . .
C20 C 0.2262(9) -0.0954(8) 0.3020(18) 0.165(7) Uani 1 1 d . . .
C21 C 0.2573(4) 0.2111(6) 0.0542(6) 0.0694(18) Uani 1 1 d . . .
H21A H 0.2781 0.1824 0.1348 0.083 Uiso 1 1 calc . . .
H21B H 0.2740 0.2868 0.0538 0.083 Uiso 1 1 calc . . .
C22 C 0.1766(4) 0.2109(5) 0.0317(5) 0.0552(15) Uani 1 1 d . . .
C23 C 0.1372(4) 0.2818(5) 0.0982(7) 0.074(2) Uani 1 1 d . . .
H23A H 0.0838 0.2800 0.0609 0.111 Uiso 1 1 calc . . .
H23B H 0.1555 0.3558 0.0976 0.111 Uiso 1 1 calc . . .
H23C H 0.1462 0.2564 0.1801 0.111 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'
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'
P P 0.1023 0.0942 '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'
Pd Pd -0.9988 1.0072 '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'
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
C7 Pd N 178.3(3) . . y
C7 Pd O4 81.9(2) . . y
N Pd O4 97.54(18) . . y
C7 Pd P 87.5(2) . . y
N Pd P 93.12(14) . . y
O4 Pd P 169.16(12) . . y
O6 S O5 131.5(5) . . ?
O6 S O7 101.9(6) . . ?
O5 S O7 105.5(5) . . ?
O6 S C20 107.4(5) . . ?
O5 S C20 110.6(5) . . ?
O7 S C20 92.3(9) . . ?
O2 P O3 106.9(2) . . ?
O2 P C19 99.3(2) . . ?
O3 P C19 102.8(3) . . ?
O2 P Pd 113.78(17) . . ?
O3 P Pd 112.56(16) . . ?
C19 P Pd 119.9(2) . . ?
C5 O1 C4 106.2(5) . . ?
C6 O2 P 121.3(4) . . ?
C8 O3 P 123.9(4) . . ?
C22 O4 Pd 113.8(4) . . ?
C5 N C3 108.7(5) . . ?
C5 N Pd 124.0(5) . . ?
C3 N Pd 127.3(4) . . ?
C3 C1 H1A 109.5 . . ?
C3 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C3 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N C3 C1 109.3(7) . . ?
N C3 C4 102.4(6) . . ?
C1 C3 C4 112.2(7) . . ?
N C3 C2 109.1(6) . . ?
C1 C3 C2 111.9(8) . . ?
C4 C3 C2 111.5(7) . . ?
O1 C4 C3 105.3(6) . . ?
O1 C4 H4A 110.7 . . ?
C3 C4 H4A 110.7 . . ?
O1 C4 H4B 110.7 . . ?
C3 C4 H4B 110.7 . . ?
H4A C4 H4B 108.8 . . ?
N C5 O1 117.3(6) . . ?
N C5 C6 128.9(6) . . ?
O1 C5 C6 113.8(6) . . ?
O2 C6 C5 114.3(5) . . ?
O2 C6 H6A 108.7 . . ?
C5 C6 H6A 108.7 . . ?
O2 C6 H6B 108.7 . . ?
C5 C6 H6B 108.7 . . ?
H6A C6 H6B 107.6 . . ?
C21 C7 Pd 107.8(5) . . ?
C21 C7 H7A 110.1 . . ?
Pd C7 H7A 110.1 . . ?
C21 C7 H7B 110.1 . . ?
Pd C7 H7B 110.1 . . ?
H7A C7 H7B 108.5 . . ?
C13 C8 C9 122.8(6) . . ?
C13 C8 O3 121.7(5) . . ?
C9 C8 O3 115.4(6) . . ?
C8 C9 C10 119.7(7) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 119.3(7) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C12 120.6(7) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C13 121.8(7) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 H12 119.1 . . ?
C8 C13 C12 115.7(6) . . ?
C8 C13 C14 122.0(5) . . ?
C12 C13 C14 122.2(6) . . ?
C15 C14 C19 116.7(6) . . ?
C15 C14 C13 122.0(6) . . ?
C19 C14 C13 121.3(5) . . ?
C16 C15 C14 120.7(6) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 122.5(6) . . ?
C15 C16 H16 118.7 . . ?
C17 C16 H16 118.7 . . ?
C16 C17 C18 118.5(6) . . ?
C16 C17 H17 120.8 . . ?
C18 C17 H17 120.8 . . ?
C17 C18 C19 120.1(7) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C14 121.5(6) . . ?
C18 C19 P 118.0(5) . . ?
C14 C19 P 120.5(4) . . ?
F3 C20 F2 121.5(11) . . ?
F3 C20 F1 88.9(12) . . ?
F2 C20 F1 92.7(12) . . ?
F3 C20 S 117.7(9) . . ?
F2 C20 S 119.7(7) . . ?
F1 C20 S 98.8(12) . . ?
C22 C21 C7 116.6(6) . . ?
C22 C21 H21A 108.1 . . ?
C7 C21 H21A 108.1 . . ?
C22 C21 H21B 108.1 . . ?
C7 C21 H21B 108.1 . . ?
H21A C21 H21B 107.3 . . ?
O4 C22 C21 118.1(6) . . ?
O4 C22 C23 120.2(6) . . ?
C21 C22 C23 121.8(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
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 C7 2.006(7) . y
Pd N 2.123(5) . y
Pd O4 2.124(4) . y
Pd P 2.1535(15) . y
S O6 1.353(7) . ?
S O5 1.368(6) . ?
S O7 1.497(9) . ?
S C20 1.749(10) . ?
P O2 1.584(4) . y
P O3 1.601(4) . ?
P C19 1.754(6) . ?
F2 C20 1.217(11) . ?
F3 C20 1.209(10) . ?
F1 C20 1.46(2) . ?
O1 C5 1.322(8) . ?
O1 C4 1.457(10) . ?
O2 C6 1.413(8) . y
O3 C8 1.403(7) . ?
O4 C22 1.213(7) . y
N C5 1.256(8) . y
N C3 1.483(8) . ?
C1 C3 1.495(12) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.518(10) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.498(10) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.495(10) . y
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C21 1.481(10) . y
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C13 1.360(8) . ?
C8 C9 1.369(8) . ?
C9 C10 1.380(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.343(11) . ?
C10 H10 0.9500 . ?
C11 C12 1.365(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.404(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.478(8) . ?
C14 C15 1.382(8) . ?
C14 C19 1.396(8) . ?
C15 C16 1.359(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.360(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.361(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(8) . ?
C18 H18 0.9500 . ?
C21 C22 1.458(9) . y
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.484(9) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 Pd P O2 -179.3(3) . . . . ?
N Pd P O2 -0.9(2) . . . . ?
O4 Pd P O2 168.4(7) . . . . ?
C7 Pd P O3 -57.6(3) . . . . ?
N Pd P O3 120.8(2) . . . . ?
O4 Pd P O3 -69.9(7) . . . . ?
C7 Pd P C19 63.5(4) . . . . ?
N Pd P C19 -118.1(3) . . . . ?
O4 Pd P C19 51.2(8) . . . . ?
O3 P O2 C6 -85.8(5) . . . . ?
C19 P O2 C6 167.6(5) . . . . ?
Pd P O2 C6 39.0(5) . . . . ?
O2 P O3 C8 -71.7(5) . . . . ?
C19 P O3 C8 32.3(5) . . . . ?
Pd P O3 C8 162.7(4) . . . . ?
C7 Pd O4 C22 -8.6(5) . . . . ?
N Pd O4 C22 173.0(4) . . . . ?
P Pd O4 C22 3.8(10) . . . . ?
C7 Pd N C5 93(9) . . . . ?
O4 Pd N C5 164.4(5) . . . . ?
P Pd N C5 -17.6(5) . . . . ?
C7 Pd N C3 -85(9) . . . . ?
O4 Pd N C3 -13.4(6) . . . . ?
P Pd N C3 164.5(5) . . . . ?
C5 N C3 C1 119.9(7) . . . . ?
Pd N C3 C1 -62.0(8) . . . . ?
C5 N C3 C4 0.8(8) . . . . ?
Pd N C3 C4 178.9(5) . . . . ?
C5 N C3 C2 -117.5(7) . . . . ?
Pd N C3 C2 60.6(8) . . . . ?
C5 O1 C4 C3 1.1(9) . . . . ?
N C3 C4 O1 -1.1(9) . . . . ?
C1 C3 C4 O1 -118.2(8) . . . . ?
C2 C3 C4 O1 115.5(8) . . . . ?
C3 N C5 O1 0.0(8) . . . . ?
Pd N C5 O1 -178.2(4) . . . . ?
C3 N C5 C6 179.6(7) . . . . ?
Pd N C5 C6 1.4(10) . . . . ?
C4 O1 C5 N -0.7(9) . . . . ?
C4 O1 C5 C6 179.6(7) . . . . ?
P O2 C6 C5 -62.3(7) . . . . ?
N C5 C6 O2 40.4(10) . . . . ?
O1 C5 C6 O2 -139.9(6) . . . . ?
N Pd C7 C21 83(9) . . . . ?
O4 Pd C7 C21 11.2(5) . . . . ?
P Pd C7 C21 -166.5(6) . . . . ?
P O3 C8 C13 -25.9(8) . . . . ?
P O3 C8 C9 157.6(5) . . . . ?
C13 C8 C9 C10 -0.9(11) . . . . ?
O3 C8 C9 C10 175.5(6) . . . . ?
C8 C9 C10 C11 2.0(11) . . . . ?
C9 C10 C11 C12 -1.9(12) . . . . ?
C10 C11 C12 C13 0.8(11) . . . . ?
C9 C8 C13 C12 -0.2(9) . . . . ?
O3 C8 C13 C12 -176.4(5) . . . . ?
C9 C8 C13 C14 176.8(6) . . . . ?
O3 C8 C13 C14 0.6(9) . . . . ?
C11 C12 C13 C8 0.3(9) . . . . ?
C11 C12 C13 C14 -176.8(6) . . . . ?
C8 C13 C14 C15 -167.5(6) . . . . ?
C12 C13 C14 C15 9.3(8) . . . . ?
C8 C13 C14 C19 10.9(8) . . . . ?
C12 C13 C14 C19 -172.2(6) . . . . ?
C19 C14 C15 C16 1.3(9) . . . . ?
C13 C14 C15 C16 179.8(6) . . . . ?
C14 C15 C16 C17 -1.1(11) . . . . ?
C15 C16 C17 C18 0.0(12) . . . . ?
C16 C17 C18 C19 0.6(11) . . . . ?
C17 C18 C19 C14 -0.3(10) . . . . ?
C17 C18 C19 P 179.2(5) . . . . ?
C15 C14 C19 C18 -0.6(9) . . . . ?
C13 C14 C19 C18 -179.2(5) . . . . ?
C15 C14 C19 P 179.9(4) . . . . ?
C13 C14 C19 P 1.3(8) . . . . ?
O2 P C19 C18 -89.5(5) . . . . ?
O3 P C19 C18 160.7(5) . . . . ?
Pd P C19 C18 34.9(6) . . . . ?
O2 P C19 C14 90.0(5) . . . . ?
O3 P C19 C14 -19.8(5) . . . . ?
Pd P C19 C14 -145.6(4) . . . . ?
O6 S C20 F3 -175.9(17) . . . . ?
O5 S C20 F3 -27(2) . . . . ?
O7 S C20 F3 80.8(19) . . . . ?
O6 S C20 F2 16(2) . . . . ?
O5 S C20 F2 164.8(15) . . . . ?
O7 S C20 F2 -87.6(17) . . . . ?
O6 S C20 F1 -82.5(9) . . . . ?
O5 S C20 F1 66.7(10) . . . . ?
O7 S C20 F1 174.2(8) . . . . ?
Pd C7 C21 C22 -13.7(9) . . . . ?
Pd O4 C22 C21 2.9(7) . . . . ?
Pd O4 C22 C23 -178.2(5) . . . . ?
C7 C21 C22 O4 7.5(10) . . . . ?
C7 C21 C22 C23 -171.4(7) . . . . ?
