#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/96/7009640.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_7009640
loop_
_publ_author_name
'Bhattacharyya, Pravat'
'Slawin, Alexandra M. Z.'
'Woollins, J. Derek'
_publ_section_title
;
 Remarkable S,N,S  ' tridentate chelation to
 palladium(II) by the monoanion derived from [Ph2P(S)NH]2CO
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1545
_journal_paper_doi               10.1039/b002413i
_journal_year                    2000
_chemical_compound_source        -
_chemical_formula_analytical     'C25 H21 Cl N2 O P2 Pd S2'
_chemical_formula_moiety         'C25 H21 Cl N2 O P2 Pd S2'
_chemical_formula_structural     'C25 H21 Cl N2 O P2 Pd S2'
_chemical_formula_sum            'C25 H21 Cl N2 O P2 Pd S2'
_chemical_formula_weight         633.35
_chemical_melting_point          ?
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.2320(2)
_cell_length_b                   18.5402(3)
_cell_length_c                   24.4688(2)
_cell_measurement_reflns_used    67
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      168
_cell_measurement_theta_min      12
_cell_volume                     5549.13(14)
_computing_cell_refinement       SMART/SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       SMART
_diffrn_measurement_method       CCD
_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  0.0834
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25983
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        -
_diffrn_standards_interval_count -
_diffrn_standards_interval_time  -
_diffrn_standards_number         -
_exptl_absorpt_coefficient_mu    1.052
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.700714
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    -
_exptl_crystal_description       plate
_exptl_crystal_F_000             2544
_exptl_crystal_size_max          .02
_exptl_crystal_size_mid          .13
_exptl_crystal_size_min          .18
_refine_diff_density_max         0.668
_refine_diff_density_min         -0.414
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       0.00002(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.070
_refine_ls_goodness_of_fit_obs   1.131
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         3932
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.149
_refine_ls_restrained_S_obs      1.130
_refine_ls_R_factor_all          0.0967
_refine_ls_R_factor_obs          0.0504
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0402P)²+12.7192P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1304
_refine_ls_wR_factor_obs         0.1015
_reflns_number_observed          2568
_reflns_number_total             3982
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002413i.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/adriana/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 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '-' was changed to '?' - the value is
undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value '-' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0402P)^2^+12.7192P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0402P)^2^+12.7192P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7009640
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pd1 Pd 0.76918(4) 0.12777(3) 0.87460(2) 0.0539(2) Uani 1 d . .
Cl1 Cl 0.9214(2) 0.18923(11) 0.84552(8) 0.0755(6) Uani 1 d . .
S1 S 0.8549(2) 0.11331(10) 0.95867(7) 0.0640(5) Uani 1 d . .
P1 P 0.77098(15) 0.02802(10) 0.98486(7) 0.0534(5) Uani 1 d . .
N1 N 0.6364(4) 0.0391(3) 0.9823(2) 0.0563(15) Uani 1 d D .
H1N H 0.5985(46) 0.0147(31) 1.0122(17) 0.076(22) Uiso 1 d D .
C25 C 0.5734(6) 0.0499(4) 0.9357(3) 0.057(2) Uani 1 d . .
O25 O 0.4761(4) 0.0323(3) 0.9357(2) 0.0670(14) Uani 1 d . .
N2 N 0.6226(4) 0.0802(3) 0.8918(2) 0.0556(15) Uani 1 d . .
P2 P 0.5534(2) 0.09689(11) 0.83530(7) 0.0579(5) Uani 1 d . .
S2 S 0.6760(2) 0.14124(12) 0.79169(7) 0.0723(6) Uani 1 d . .
C1 C 0.7953(5) 0.0135(4) 1.0558(3) 0.056(2) Uani 1 d . .
C2 C 0.8491(7) -0.0463(5) 1.0749(3) 0.087(3) Uani 1 d . .
H2A H 0.8738(7) -0.0813(5) 1.0507(3) 0.104 Uiso 1 calc R .
C3 C 0.8667(8) -0.0540(7) 1.1308(4) 0.115(4) Uani 1 d . .
H3A H 0.9019(8) -0.0949(7) 1.1441(4) 0.138 Uiso 1 calc R .
C4 C 0.8327(8) -0.0022(7) 1.1660(4) 0.098(3) Uani 1 d . .
H4A H 0.8468(8) -0.0077(7) 1.2032(4) 0.118 Uiso 1 calc R .
C5 C 0.7787(9) 0.0574(5) 1.1486(3) 0.099(3) Uani 1 d . .
H5A H 0.7549(9) 0.0922(5) 1.1732(3) 0.118 Uiso 1 calc R .
C6 C 0.7598(8) 0.0652(4) 1.0934(3) 0.085(3) Uani 1 d . .
H6A H 0.7227(8) 0.1058(4) 1.0808(3) 0.102 Uiso 1 calc R .
C7 C 0.8015(6) -0.0536(4) 0.9493(3) 0.059(2) Uani 1 d . .
C8 C 0.9018(7) -0.0642(5) 0.9244(3) 0.088(3) Uani 1 d . .
H8A H 0.9534(7) -0.0273(5) 0.9235(3) 0.106 Uiso 1 calc R .
C9 C 0.9244(9) -0.1305(6) 0.9006(4) 0.109(3) Uani 1 d . .
H9A H 0.9923(9) -0.1381(6) 0.8846(4) 0.131 Uiso 1 calc R .
C10 C 0.8487(12) -0.1852(6) 0.9003(5) 0.127(4) Uani 1 d . .
H10A H 0.8647(12) -0.2293(6) 0.8841(5) 0.152 Uiso 1 calc R .
C11 C 0.7508(10) -0.1738(6) 0.9240(5) 0.129(4) Uani 1 d . .
H11A H 0.6988(10) -0.2104(6) 0.9236(5) 0.154 Uiso 1 calc R .
C12 C 0.7260(8) -0.1093(5) 0.9486(4) 0.102(3) Uani 1 d . .
H12A H 0.6580(8) -0.1030(5) 0.9649(4) 0.122 Uiso 1 calc R .
C13 C 0.5046(6) 0.0152(4) 0.8046(3) 0.064(2) Uani 1 d . .
C14 C 0.5475(7) -0.0507(5) 0.8201(3) 0.082(2) Uani 1 d . .
H14A H 0.5981(7) -0.0533(5) 0.8484(3) 0.098 Uiso 1 calc R .
C15 C 0.5147(10) -0.1135(5) 0.7929(4) 0.105(3) Uani 1 d . .
H15A H 0.5431(10) -0.1580(5) 0.8031(4) 0.126 Uiso 1 calc R .
C16 C 0.4401(9) -0.1088(6) 0.7510(4) 0.099(3) Uani 1 d . .
H16A H 0.4183(9) -0.1506(6) 0.7330(4) 0.119 Uiso 1 calc R .
C17 C 0.3976(8) -0.0443(6) 0.7352(4) 0.099(3) Uani 1 d . .
H17A H 0.3479(8) -0.0421(6) 0.7065(4) 0.119 Uiso 1 calc R .
C18 C 0.4286(6) 0.0176(5) 0.7620(3) 0.078(2) Uani 1 d . .
H18A H 0.3986(6) 0.0617(5) 0.7516(3) 0.094 Uiso 1 calc R .
C19 C 0.4423(4) 0.1599(3) 0.8429(3) 0.066(2) Uani 1 d G .
C20 C 0.4142(7) 0.2015(4) 0.7978(2) 0.123(4) Uani 1 d G .
H20A H 0.4561(10) 0.1980(6) 0.7648(3) 0.148 Uiso 1 d G .
C21 C 0.3253(7) 0.2481(4) 0.8005(3) 0.137(4) Uani 1 d G .
H21A H 0.3059(11) 0.2768(5) 0.7694(4) 0.165 Uiso 1 d G .
C22 C 0.2646(5) 0.2531(4) 0.8484(5) 0.129(4) Uani 1 d G .
H22A H 0.2032(6) 0.2852(5) 0.8503(6) 0.155 Uiso 1 d G .
C23 C 0.2927(7) 0.2115(5) 0.8935(4) 0.232(10) Uani 1 d G .
H23A H 0.2507(10) 0.2150(7) 0.9266(5) 0.278 Uiso 1 d G .
C24 C 0.3816(7) 0.1649(4) 0.8908(3) 0.219(9) Uani 1 d G .
H24A H 0.4010(11) 0.1362(6) 0.9220(3) 0.263 Uiso 1 d G .
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'
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'
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
N2 Pd1 Cl1 172.04(15) . . ?
N2 Pd1 S1 99.41(15) . . ?
Cl1 Pd1 S1 88.02(7) . . ?
N2 Pd1 S2 78.33(15) . . ?
Cl1 Pd1 S2 94.20(7) . . ?
S1 Pd1 S2 177.66(7) . . ?
N2 Pd1 P2 34.39(14) . . ?
Cl1 Pd1 P2 137.89(7) . . ?
S1 Pd1 P2 133.56(6) . . ?
S2 Pd1 P2 44.13(6) . . ?
P1 S1 Pd1 98.27(9) . . ?
N1 P1 C1 102.8(3) . . ?
N1 P1 C7 107.1(3) . . ?
C1 P1 C7 108.2(3) . . ?
N1 P1 S1 113.6(2) . . ?
C1 P1 S1 110.4(2) . . ?
C7 P1 S1 114.1(2) . . ?
C25 N1 P1 126.8(5) . . ?
O25 C25 N2 122.5(6) . . ?
O25 C25 N1 119.8(6) . . ?
N2 C25 N1 117.7(6) . . ?
C25 N2 P2 121.0(5) . . ?
C25 N2 Pd1 137.2(5) . . ?
P2 N2 Pd1 101.3(3) . . ?
N2 P2 C13 111.3(3) . . ?
N2 P2 C19 114.9(3) . . ?
C13 P2 C19 109.9(3) . . ?
N2 P2 S2 98.0(2) . . ?
C13 P2 S2 111.8(2) . . ?
C19 P2 S2 110.6(2) . . ?
N2 P2 Pd1 44.3(2) . . ?
C13 P2 Pd1 128.0(3) . . ?
C19 P2 Pd1 122.0(2) . . ?
S2 P2 Pd1 53.92(7) . . ?
P2 S2 Pd1 81.94(8) . . ?
C2 C1 C6 118.7(7) . . ?
C2 C1 P1 122.3(6) . . ?
C6 C1 P1 119.0(6) . . ?
C1 C2 C3 119.4(9) . . ?
C4 C3 C2 120.3(9) . . ?
C3 C4 C5 121.7(9) . . ?
C4 C5 C6 118.4(9) . . ?
C5 C6 C1 121.4(8) . . ?
C12 C7 C8 118.7(8) . . ?
C12 C7 P1 119.9(6) . . ?
C8 C7 P1 121.3(6) . . ?
C7 C8 C9 119.1(8) . . ?
C10 C9 C8 121.5(9) . . ?
C11 C10 C9 118.8(10) . . ?
C10 C11 C12 121.5(10) . . ?
C11 C12 C7 120.5(9) . . ?
C14 C13 C18 119.0(8) . . ?
C14 C13 P2 120.4(6) . . ?
C18 C13 P2 120.4(6) . . ?
C13 C14 C15 119.8(8) . . ?
C16 C15 C14 119.5(9) . . ?
C17 C16 C15 121.4(9) . . ?
C16 C17 C18 119.6(9) . . ?
C17 C18 C13 120.8(8) . . ?
C20 C19 C24 120.0 . . ?
C20 C19 P2 117.7(4) . . ?
C24 C19 P2 122.3(4) . . ?
C19 C20 C21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C24 C23 C22 120.0 . . ?
C23 C24 C19 120.0 . . ?
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 N2 2.042(5) . ?
Pd1 Cl1 2.296(2) . ?
Pd1 S1 2.325(2) . ?
Pd1 S2 2.340(2) . ?
Pd1 P2 2.867(2) . ?
S1 P1 1.991(3) . ?
P1 N1 1.661(6) . ?
P1 C1 1.782(7) . ?
P1 C7 1.786(7) . ?
N1 C25 1.389(8) . ?
C25 O25 1.235(7) . ?
C25 N2 1.353(8) . ?
N2 P2 1.651(5) . ?
P2 C13 1.793(8) . ?
P2 C19 1.802(5) . ?
P2 S2 2.016(3) . ?
C1 C2 1.370(10) . ?
C1 C6 1.398(10) . ?
C2 C3 1.394(11) . ?
C3 C4 1.355(12) . ?
C4 C5 1.357(12) . ?
C5 C6 1.378(10) . ?
C7 C12 1.386(10) . ?
C7 C8 1.385(10) . ?
C8 C9 1.388(12) . ?
C9 C10 1.374(13) . ?
C10 C11 1.346(13) . ?
C11 C12 1.373(13) . ?
C13 C14 1.382(10) . ?
C13 C18 1.399(10) . ?
C14 C15 1.398(11) . ?
C15 C16 1.377(13) . ?
C16 C17 1.359(12) . ?
C17 C18 1.375(11) . ?
C19 C20 1.39 . ?
C19 C24 1.39 . ?
C20 C21 1.39 . ?
C21 C22 1.39 . ?
C22 C23 1.39 . ?
C23 C24 1.39 . ?
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
N2 Pd1 S1 P1 24.9(2) . . . . ?
Cl1 Pd1 S1 P1 -157.99(10) . . . . ?
S2 Pd1 S1 P1 40.2(19) . . . . ?
P2 Pd1 S1 P1 29.44(14) . . . . ?
Pd1 S1 P1 N1 -52.4(2) . . . . ?
Pd1 S1 P1 C1 -167.2(3) . . . . ?
Pd1 S1 P1 C7 70.7(3) . . . . ?
C1 P1 N1 C25 -177.7(6) . . . . ?
C7 P1 N1 C25 -63.9(7) . . . . ?
S1 P1 N1 C25 63.1(6) . . . . ?
P1 N1 C25 O25 154.2(6) . . . . ?
P1 N1 C25 N2 -26.1(9) . . . . ?
O25 C25 N2 P2 1.2(10) . . . . ?
N1 C25 N2 P2 -178.5(5) . . . . ?
O25 C25 N2 Pd1 171.2(5) . . . . ?
N1 C25 N2 Pd1 -8.5(11) . . . . ?
Cl1 Pd1 N2 C25 -156.0(9) . . . . ?
S1 Pd1 N2 C25 2.9(7) . . . . ?
S2 Pd1 N2 C25 -176.5(7) . . . . ?
P2 Pd1 N2 C25 -171.3(9) . . . . ?
Cl1 Pd1 N2 P2 15.2(14) . . . . ?
S1 Pd1 N2 P2 174.1(2) . . . . ?
S2 Pd1 N2 P2 -5.2(2) . . . . ?
P2 Pd1 N2 P2 0.0 . . . . ?
C25 N2 P2 C13 -63.8(6) . . . . ?
Pd1 N2 P2 C13 123.2(3) . . . . ?
C25 N2 P2 C19 62.0(6) . . . . ?
Pd1 N2 P2 C19 -111.1(3) . . . . ?
C25 N2 P2 S2 179.1(5) . . . . ?
Pd1 N2 P2 S2 6.0(3) . . . . ?
C25 N2 P2 Pd1 173.1(7) . . . . ?
Pd1 N2 P2 Pd1 0.0 . . . . ?
N2 Pd1 P2 N2 0.000(1) . . . . ?
Cl1 Pd1 P2 N2 -176.9(3) . . . . ?
S1 Pd1 P2 N2 -8.0(3) . . . . ?
S2 Pd1 P2 N2 172.6(3) . . . . ?
N2 Pd1 P2 C13 -81.9(4) . . . . ?
Cl1 Pd1 P2 C13 101.2(3) . . . . ?
S1 Pd1 P2 C13 -89.9(3) . . . . ?
S2 Pd1 P2 C13 90.7(3) . . . . ?
N2 Pd1 P2 C19 94.1(4) . . . . ?
Cl1 Pd1 P2 C19 -82.8(3) . . . . ?
S1 Pd1 P2 C19 86.1(3) . . . . ?
S2 Pd1 P2 C19 -93.3(3) . . . . ?
N2 Pd1 P2 S2 -172.6(3) . . . . ?
Cl1 Pd1 P2 S2 10.49(14) . . . . ?
S1 Pd1 P2 S2 179.37(11) . . . . ?
S2 Pd1 P2 S2 0.0 . . . . ?
N2 P2 S2 Pd1 -5.2(2) . . . . ?
C13 P2 S2 Pd1 -122.0(3) . . . . ?
C19 P2 S2 Pd1 115.3(2) . . . . ?
Pd1 P2 S2 Pd1 0.0 . . . . ?
N2 Pd1 S2 P2 4.2(2) . . . . ?
Cl1 Pd1 S2 P2 -172.97(9) . . . . ?
S1 Pd1 S2 P2 -11.1(19) . . . . ?
P2 Pd1 S2 P2 0.0 . . . . ?
N1 P1 C1 C2 124.9(6) . . . . ?
C7 P1 C1 C2 11.9(7) . . . . ?
S1 P1 C1 C2 -113.6(6) . . . . ?
N1 P1 C1 C6 -56.1(7) . . . . ?
C7 P1 C1 C6 -169.2(6) . . . . ?
S1 P1 C1 C6 65.4(6) . . . . ?
C6 C1 C2 C3 0.2(12) . . . . ?
P1 C1 C2 C3 179.2(7) . . . . ?
C1 C2 C3 C4 -1.3(15) . . . . ?
C2 C3 C4 C5 1.6(17) . . . . ?
C3 C4 C5 C6 -0.9(16) . . . . ?
C4 C5 C6 C1 -0.2(14) . . . . ?
C2 C1 C6 C5 0.5(13) . . . . ?
P1 C1 C6 C5 -178.5(7) . . . . ?
N1 P1 C7 C12 -30.3(8) . . . . ?
C1 P1 C7 C12 79.9(7) . . . . ?
S1 P1 C7 C12 -156.9(6) . . . . ?
N1 P1 C7 C8 152.9(6) . . . . ?
C1 P1 C7 C8 -97.0(7) . . . . ?
S1 P1 C7 C8 26.3(7) . . . . ?
C12 C7 C8 C9 -1.5(13) . . . . ?
P1 C7 C8 C9 175.4(7) . . . . ?
C7 C8 C9 C10 1.4(16) . . . . ?
C8 C9 C10 C11 -0.4(19) . . . . ?
C9 C10 C11 C12 -0.7(20) . . . . ?
C10 C11 C12 C7 0.6(19) . . . . ?
C8 C7 C12 C11 0.5(14) . . . . ?
P1 C7 C12 C11 -176.4(8) . . . . ?
N2 P2 C13 C14 -15.9(7) . . . . ?
C19 P2 C13 C14 -144.4(6) . . . . ?
S2 P2 C13 C14 92.5(6) . . . . ?
Pd1 P2 C13 C14 32.0(8) . . . . ?
N2 P2 C13 C18 168.9(6) . . . . ?
C19 P2 C13 C18 40.4(7) . . . . ?
S2 P2 C13 C18 -82.7(6) . . . . ?
Pd1 P2 C13 C18 -143.2(5) . . . . ?
C18 C13 C14 C15 0.1(12) . . . . ?
P2 C13 C14 C15 -175.2(7) . . . . ?
C13 C14 C15 C16 0.2(14) . . . . ?
C14 C15 C16 C17 0.1(15) . . . . ?
C15 C16 C17 C18 -0.7(16) . . . . ?
C16 C17 C18 C13 1.1(14) . . . . ?
C14 C13 C18 C17 -0.7(12) . . . . ?
P2 C13 C18 C17 174.5(7) . . . . ?
N2 P2 C19 C20 150.8(4) . . . . ?
C13 P2 C19 C20 -82.8(5) . . . . ?
S2 P2 C19 C20 41.1(5) . . . . ?
Pd1 P2 C19 C20 100.6(4) . . . . ?
N2 P2 C19 C24 -32.9(5) . . . . ?
C13 P2 C19 C24 93.5(5) . . . . ?
S2 P2 C19 C24 -142.6(4) . . . . ?
Pd1 P2 C19 C24 -83.1(5) . . . . ?
C24 C19 C20 C21 0.0 . . . . ?
P2 C19 C20 C21 176.4(4) . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C19 0.0 . . . . ?
C20 C19 C24 C23 0.0 . . . . ?
P2 C19 C24 C23 -176.3(5) . . . . ?
