#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:43:57 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263744 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/66/7706603.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_7706603
loop_
_publ_author_name
'Mote, Nilesh R.'
'Gaikwad, Shahaji R.'
'Khopade, Kishor V.'
'Gonnade, Rajesh G.'
'Chikkali, Samir H.'
_publ_section_title
;
 Controlled di-lithiation enabled synthesis of phosphine-sulfonamide
 ligands and implications in ethylene oligomerization.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3717
_journal_page_last               3723
_journal_paper_doi               10.1039/d1dt00093d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C33 H33 N2 O4 P Pd S'
_chemical_formula_sum            'C33 H33 N2 O4 P Pd S'
_chemical_formula_weight         691.04
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-01-18 deposited with the CCDC.	2021-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.039(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3236(13)
_cell_length_b                   18.867(2)
_cell_length_c                   13.3975(15)
_cell_measurement_reflns_used    9278
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      2.67
_cell_volume                     3008.4(6)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Photon II CPAD Area Detector'
_diffrn_detector_area_resol_mean 7.39
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON II CPAD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_unetI/netI     0.0133
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            160280
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.998
_diffrn_reflns_theta_min         2.672
_diffrn_source                   'micro-focus sealed tube'
_diffrn_source_type              'Incoatech I\mS HB'
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (BRUKER, 2016)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_description       needle
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.189
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         7256
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0237
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0200P)²+4.0804P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0568
_refine_ls_wR_factor_ref         0.0605
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6681
_reflns_number_total             7256
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00093d2.cif
_cod_data_source_block           mo_NRM651_R_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7706599--7706603.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7706603
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.866
_shelx_estimated_absorpt_t_max   0.985
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.20165(2) 0.56504(2) 0.18774(2) 0.01331(4) Uani 1 1 d . . . . .
S1 S 0.35578(3) 0.41529(2) 0.24429(3) 0.01528(8) Uani 1 1 d . . . . .
P1 P 0.10590(3) 0.55502(2) 0.30500(3) 0.01108(8) Uani 1 1 d . . . . .
O1 O -0.08363(12) 0.58175(8) 0.12345(11) 0.0288(3) Uani 1 1 d . . . . .
O2 O 0.19654(11) 0.68983(7) 0.38353(10) 0.0201(3) Uani 1 1 d . . . . .
O3 O 0.43766(10) 0.46936(7) 0.23955(10) 0.0208(3) Uani 1 1 d . . . . .
O4 O 0.34824(11) 0.35676(7) 0.17268(10) 0.0234(3) Uani 1 1 d . . . . .
N1 N 0.24002(12) 0.45516(7) 0.23544(11) 0.0144(3) Uani 1 1 d . . . . .
N2 N 0.28641(13) 0.57019(8) 0.06915(12) 0.0173(3) Uani 1 1 d . . . . .
C1 C -0.02681(14) 0.59852(9) 0.30184(14) 0.0166(3) Uani 1 1 d . . . . .
C2 C -0.10831(16) 0.60867(10) 0.20853(15) 0.0222(4) Uani 1 1 d . . . . .
C3 C -0.20862(17) 0.64460(12) 0.20861(18) 0.0317(5) Uani 1 1 d . . . . .
H3 H -0.2634 0.6530 0.1453 0.038 Uiso 1 1 calc R U . . .
C4 C -0.22726(18) 0.66753(12) 0.3002(2) 0.0338(5) Uani 1 1 d . . . . .
H4 H -0.2955 0.6912 0.2993 0.041 Uiso 1 1 calc R U . . .
C5 C -0.14914(18) 0.65690(11) 0.39287(18) 0.0288(4) Uani 1 1 d . . . . .
H5 H -0.1633 0.6726 0.4557 0.035 Uiso 1 1 calc R U . . .
C6 C -0.04907(16) 0.62284(10) 0.39306(15) 0.0211(4) Uani 1 1 d . . . . .
H6 H 0.0056 0.6159 0.4568 0.025 Uiso 1 1 calc R U . . .
C7 C -0.1475(2) 0.60828(14) 0.02518(17) 0.0428(6) Uani 1 1 d . . . . .
H7A H -0.2258 0.5927 0.0126 0.064 Uiso 1 1 calc R U . . .
H7B H -0.1157 0.5901 -0.0296 0.064 Uiso 1 1 calc R U . . .
H7C H -0.1447 0.6602 0.0255 0.064 Uiso 1 1 calc R U . . .
C8 C 0.18991(13) 0.57224(9) 0.43547(12) 0.0132(3) Uani 1 1 d . . . . .
C9 C 0.22854(14) 0.64170(9) 0.46103(13) 0.0151(3) Uani 1 1 d . . . . .
C10 C 0.29390(15) 0.65768(10) 0.55962(13) 0.0189(3) Uani 1 1 d . . . . .
H10 H 0.3185 0.7049 0.5771 0.023 Uiso 1 1 calc R U . . .
C11 C 0.32282(15) 0.60371(11) 0.63217(13) 0.0207(4) Uani 1 1 d . . . . .
H11 H 0.3683 0.6143 0.6994 0.025 Uiso 1 1 calc R U . . .
C12 C 0.28656(15) 0.53482(10) 0.60834(13) 0.0202(4) Uani 1 1 d . . . . .
H12 H 0.3072 0.4984 0.6587 0.024 Uiso 1 1 calc R U . . .
C13 C 0.21962(14) 0.51936(9) 0.51005(13) 0.0159(3) Uani 1 1 d . . . . .
H13 H 0.1939 0.4722 0.4937 0.019 Uiso 1 1 calc R U . . .
C14 C 0.22659(18) 0.76224(10) 0.40546(15) 0.0255(4) Uani 1 1 d . . . . .
H14A H 0.1905 0.7800 0.4577 0.038 Uiso 1 1 calc R U . . .
H14B H 0.2015 0.7903 0.3421 0.038 Uiso 1 1 calc R U . . .
H14C H 0.3084 0.7661 0.4317 0.038 Uiso 1 1 calc R U . . .
C15 C 0.07597(14) 0.46099(9) 0.29965(12) 0.0131(3) Uani 1 1 d . . . . .
C16 C 0.15156(13) 0.41890(9) 0.26226(12) 0.0134(3) Uani 1 1 d . . . . .
C17 C 0.13287(15) 0.34571(9) 0.25398(14) 0.0195(3) Uani 1 1 d . . . . .
H17 H 0.1816 0.3164 0.2276 0.023 Uiso 1 1 calc R U . . .
C18 C 0.04341(16) 0.31579(10) 0.28413(15) 0.0222(4) Uani 1 1 d . . . . .
H18 H 0.0322 0.2660 0.2786 0.027 Uiso 1 1 calc R U . . .
C19 C -0.03003(15) 0.35721(10) 0.32212(14) 0.0205(4) Uani 1 1 d . . . . .
H19 H -0.0906 0.3360 0.3430 0.025 Uiso 1 1 calc R U . . .
C20 C -0.01367(14) 0.43021(9) 0.32921(13) 0.0167(3) Uani 1 1 d . . . . .
H20 H -0.0639 0.4592 0.3543 0.020 Uiso 1 1 calc R U . . .
C21 C 0.22976(17) 0.55907(10) -0.02953(14) 0.0213(4) Uani 1 1 d . . . . .
H21 H 0.1509 0.5518 -0.0452 0.026 Uiso 1 1 calc R U . . .
C22 C 0.28216(19) 0.55786(11) -0.10938(15) 0.0280(4) Uani 1 1 d . . . . .
H22 H 0.2400 0.5491 -0.1784 0.034 Uiso 1 1 calc R U . . .
C23 C 0.39681(19) 0.56966(11) -0.08706(16) 0.0300(5) Uani 1 1 d . . . . .
H23 H 0.4350 0.5684 -0.1402 0.036 Uiso 1 1 calc R U . . .
C24 C 0.45432(18) 0.58318(11) 0.01354(17) 0.0267(4) Uani 1 1 d . . . . .
H24 H 0.5326 0.5928 0.0306 0.032 Uiso 1 1 calc R U . . .
C25 C 0.39719(16) 0.58266(10) 0.08975(15) 0.0218(4) Uani 1 1 d . . . . .
H25 H 0.4378 0.5915 0.1592 0.026 Uiso 1 1 calc R U . . .
C26 C 0.14632(16) 0.66602(9) 0.14568(14) 0.0194(3) Uani 1 1 d . . . . .
H26A H 0.2110 0.6978 0.1541 0.029 Uiso 1 1 calc R U . . .
H26B H 0.0989 0.6823 0.1896 0.029 Uiso 1 1 calc R U . . .
H26C H 0.1026 0.6662 0.0733 0.029 Uiso 1 1 calc R U . . .
C27 C 0.39726(14) 0.37748(9) 0.37009(13) 0.0148(3) Uani 1 1 d . . . . .
C28 C 0.42529(14) 0.42239(9) 0.45496(13) 0.0165(3) Uani 1 1 d . . . . .
H28 H 0.4170 0.4722 0.4456 0.020 Uiso 1 1 calc R U . . .
C29 C 0.46543(15) 0.39452(10) 0.55334(14) 0.0187(3) Uani 1 1 d . . . . .
H29 H 0.4856 0.4256 0.6110 0.022 Uiso 1 1 calc R U . . .
C30 C 0.47663(14) 0.32149(10) 0.56896(14) 0.0180(3) Uani 1 1 d . . . . .
C31 C 0.44436(16) 0.27715(10) 0.48325(15) 0.0231(4) Uani 1 1 d . . . . .
H31 H 0.4487 0.2272 0.4927 0.028 Uiso 1 1 calc R U . . .
C32 C 0.40583(16) 0.30478(10) 0.38408(14) 0.0213(4) Uani 1 1 d . . . . .
H32 H 0.3855 0.2739 0.3262 0.026 Uiso 1 1 calc R U . . .
C33 C 0.52549(17) 0.29154(11) 0.67562(15) 0.0249(4) Uani 1 1 d . . . . .
H33A H 0.6067 0.3002 0.6963 0.037 Uiso 1 1 calc R U . . .
H33B H 0.5112 0.2404 0.6750 0.037 Uiso 1 1 calc R U . . .
H33C H 0.4903 0.3146 0.7248 0.037 Uiso 1 1 calc R U . . .
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'
Pd Pd -0.9988 1.0072 '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'
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 N2 86.84(6) . . ?
C26 Pd1 N1 172.93(6) . . ?
N2 Pd1 N1 98.71(5) . . ?
C26 Pd1 P1 94.25(5) . . ?
N2 Pd1 P1 176.40(4) . . ?
N1 Pd1 P1 79.95(4) . . ?
O3 S1 O4 115.68(8) . . ?
O3 S1 N1 106.58(8) . . ?
O4 S1 N1 114.14(8) . . ?
O3 S1 C27 106.97(8) . . ?
O4 S1 C27 105.96(8) . . ?
N1 S1 C27 106.99(8) . . ?
C15 P1 C8 105.85(7) . . ?
C15 P1 C1 105.57(8) . . ?
C8 P1 C1 103.07(8) . . ?
C15 P1 Pd1 101.37(5) . . ?
C8 P1 Pd1 113.21(5) . . ?
C1 P1 Pd1 126.06(6) . . ?
C2 O1 C7 116.84(18) . . ?
C9 O2 C14 118.33(14) . . ?
C16 N1 S1 119.30(12) . . ?
C16 N1 Pd1 114.32(10) . . ?
S1 N1 Pd1 126.36(8) . . ?
C25 N2 C21 118.14(16) . . ?
C25 N2 Pd1 121.83(12) . . ?
C21 N2 Pd1 120.01(13) . . ?
C6 C1 C2 118.57(17) . . ?
C6 C1 P1 120.44(13) . . ?
C2 C1 P1 120.99(14) . . ?
O1 C2 C1 115.81(17) . . ?
O1 C2 C3 124.74(18) . . ?
C1 C2 C3 119.44(19) . . ?
C4 C3 C2 120.09(19) . . ?
C5 C4 C3 121.35(19) . . ?
C4 C5 C6 118.8(2) . . ?
C5 C6 C1 121.71(19) . . ?
C13 C8 C9 118.94(15) . . ?
C13 C8 P1 122.76(13) . . ?
C9 C8 P1 118.28(12) . . ?
O2 C9 C10 124.26(16) . . ?
O2 C9 C8 115.10(14) . . ?
C10 C9 C8 120.64(16) . . ?
C11 C10 C9 119.09(17) . . ?
C12 C11 C10 121.20(16) . . ?
C11 C12 C13 119.45(17) . . ?
C12 C13 C8 120.67(17) . . ?
C20 C15 C16 120.77(15) . . ?
C20 C15 P1 124.46(13) . . ?
C16 C15 P1 114.78(12) . . ?
C17 C16 N1 125.50(15) . . ?
C17 C16 C15 118.23(15) . . ?
N1 C16 C15 116.27(14) . . ?
C18 C17 C16 120.31(17) . . ?
C19 C18 C17 121.34(17) . . ?
C18 C19 C20 119.04(16) . . ?
C19 C20 C15 120.30(16) . . ?
N2 C21 C22 122.39(19) . . ?
C23 C22 C21 118.98(19) . . ?
C24 C23 C22 118.66(18) . . ?
C23 C24 C25 119.4(2) . . ?
N2 C25 C24 122.37(19) . . ?
C32 C27 C28 119.99(16) . . ?
C32 C27 S1 121.23(13) . . ?
C28 C27 S1 118.73(13) . . ?
C29 C28 C27 119.95(16) . . ?
C28 C29 C30 120.96(16) . . ?
C31 C30 C29 118.27(16) . . ?
C31 C30 C33 120.94(17) . . ?
C29 C30 C33 120.76(17) . . ?
C32 C31 C30 121.07(17) . . ?
C27 C32 C31 119.71(17) . . ?
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 2.0525(17) . ?
Pd1 N2 2.1181(15) . ?
Pd1 N1 2.1847(14) . ?
Pd1 P1 2.2040(5) . ?
S1 O3 1.4479(14) . ?
S1 O4 1.4499(13) . ?
S1 N1 1.5897(14) . ?
S1 C27 1.7787(17) . ?
P1 C15 1.8098(17) . ?
P1 C8 1.8149(17) . ?
P1 C1 1.8205(17) . ?
O1 C2 1.353(3) . ?
O1 C7 1.437(2) . ?
O2 C9 1.359(2) . ?
O2 C14 1.426(2) . ?
N1 C16 1.410(2) . ?
N2 C25 1.341(2) . ?
N2 C21 1.342(2) . ?
C1 C6 1.398(3) . ?
C1 C2 1.399(2) . ?
C2 C3 1.410(3) . ?
C3 C4 1.375(3) . ?
C4 C5 1.375(3) . ?
C5 C6 1.390(3) . ?
C8 C13 1.392(2) . ?
C8 C9 1.406(2) . ?
C9 C10 1.390(2) . ?
C10 C11 1.389(3) . ?
C11 C12 1.385(3) . ?
C12 C13 1.391(2) . ?
C15 C20 1.393(2) . ?
C15 C16 1.411(2) . ?
C16 C17 1.400(2) . ?
C17 C18 1.389(3) . ?
C18 C19 1.388(3) . ?
C19 C20 1.392(2) . ?
C21 C22 1.386(3) . ?
C22 C23 1.384(3) . ?
C23 C24 1.374(3) . ?
C24 C25 1.383(3) . ?
C27 C32 1.385(2) . ?
C27 C28 1.388(2) . ?
C28 C29 1.386(2) . ?
C29 C30 1.395(3) . ?
C30 C31 1.393(3) . ?
C30 C33 1.509(2) . ?
C31 C32 1.391(3) . ?
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
O3 S1 N1 C16 -164.90(12) . . . . ?
O4 S1 N1 C16 66.13(15) . . . . ?
C27 S1 N1 C16 -50.73(14) . . . . ?
O3 S1 N1 Pd1 13.60(12) . . . . ?
O4 S1 N1 Pd1 -115.37(10) . . . . ?
C27 S1 N1 Pd1 127.77(10) . . . . ?
C15 P1 C1 C6 99.45(15) . . . . ?
C8 P1 C1 C6 -11.39(16) . . . . ?
Pd1 P1 C1 C6 -143.42(12) . . . . ?
C15 P1 C1 C2 -80.87(16) . . . . ?
C8 P1 C1 C2 168.29(14) . . . . ?
Pd1 P1 C1 C2 36.26(17) . . . . ?
C7 O1 C2 C1 -162.34(18) . . . . ?
C7 O1 C2 C3 18.3(3) . . . . ?
C6 C1 C2 O1 -177.71(16) . . . . ?
P1 C1 C2 O1 2.6(2) . . . . ?
C6 C1 C2 C3 1.7(3) . . . . ?
P1 C1 C2 C3 -177.97(14) . . . . ?
O1 C2 C3 C4 177.46(19) . . . . ?
C1 C2 C3 C4 -1.9(3) . . . . ?
C2 C3 C4 C5 0.7(3) . . . . ?
C3 C4 C5 C6 0.6(3) . . . . ?
C4 C5 C6 C1 -0.8(3) . . . . ?
C2 C1 C6 C5 -0.4(3) . . . . ?
P1 C1 C6 C5 179.31(15) . . . . ?
C15 P1 C8 C13 -0.29(16) . . . . ?
C1 P1 C8 C13 110.34(14) . . . . ?
Pd1 P1 C8 C13 -110.45(13) . . . . ?
C15 P1 C8 C9 178.17(13) . . . . ?
C1 P1 C8 C9 -71.20(14) . . . . ?
Pd1 P1 C8 C9 68.00(13) . . . . ?
C14 O2 C9 C10 -3.4(3) . . . . ?
C14 O2 C9 C8 176.16(16) . . . . ?
C13 C8 C9 O2 179.42(15) . . . . ?
P1 C8 C9 O2 0.9(2) . . . . ?
C13 C8 C9 C10 -1.0(2) . . . . ?
P1 C8 C9 C10 -179.51(13) . . . . ?
O2 C9 C10 C11 -179.02(16) . . . . ?
C8 C9 C10 C11 1.4(3) . . . . ?
C9 C10 C11 C12 -0.8(3) . . . . ?
C10 C11 C12 C13 -0.2(3) . . . . ?
C11 C12 C13 C8 0.7(3) . . . . ?
C9 C8 C13 C12 -0.1(2) . . . . ?
P1 C8 C13 C12 178.38(13) . . . . ?
C8 P1 C15 C20 85.84(15) . . . . ?
C1 P1 C15 C20 -23.01(16) . . . . ?
Pd1 P1 C15 C20 -155.80(13) . . . . ?
C8 P1 C15 C16 -94.20(13) . . . . ?
C1 P1 C15 C16 156.94(12) . . . . ?
Pd1 P1 C15 C16 24.15(13) . . . . ?
S1 N1 C16 C17 -29.3(2) . . . . ?
Pd1 N1 C16 C17 152.02(14) . . . . ?
S1 N1 C16 C15 151.23(12) . . . . ?
Pd1 N1 C16 C15 -27.44(18) . . . . ?
C20 C15 C16 C17 1.1(2) . . . . ?
P1 C15 C16 C17 -178.84(13) . . . . ?
C20 C15 C16 N1 -179.37(15) . . . . ?
P1 C15 C16 N1 0.67(19) . . . . ?
N1 C16 C17 C18 179.18(16) . . . . ?
C15 C16 C17 C18 -1.4(3) . . . . ?
C16 C17 C18 C19 0.6(3) . . . . ?
C17 C18 C19 C20 0.5(3) . . . . ?
C18 C19 C20 C15 -0.7(3) . . . . ?
C16 C15 C20 C19 -0.1(3) . . . . ?
P1 C15 C20 C19 179.88(14) . . . . ?
C25 N2 C21 C22 2.1(3) . . . . ?
Pd1 N2 C21 C22 -176.28(14) . . . . ?
N2 C21 C22 C23 -1.1(3) . . . . ?
C21 C22 C23 C24 -0.9(3) . . . . ?
C22 C23 C24 C25 1.8(3) . . . . ?
C21 N2 C25 C24 -1.1(3) . . . . ?
Pd1 N2 C25 C24 177.20(14) . . . . ?
C23 C24 C25 N2 -0.8(3) . . . . ?
O3 S1 C27 C32 -129.75(15) . . . . ?
O4 S1 C27 C32 -5.80(17) . . . . ?
N1 S1 C27 C32 116.34(15) . . . . ?
O3 S1 C27 C28 47.85(15) . . . . ?
O4 S1 C27 C28 171.81(14) . . . . ?
N1 S1 C27 C28 -66.05(15) . . . . ?
C32 C27 C28 C29 2.2(3) . . . . ?
S1 C27 C28 C29 -175.47(13) . . . . ?
C27 C28 C29 C30 -1.0(3) . . . . ?
C28 C29 C30 C31 -1.2(3) . . . . ?
C28 C29 C30 C33 177.10(17) . . . . ?
C29 C30 C31 C32 2.3(3) . . . . ?
C33 C30 C31 C32 -175.97(18) . . . . ?
C28 C27 C32 C31 -1.1(3) . . . . ?
S1 C27 C32 C31 176.52(15) . . . . ?
C30 C31 C32 C27 -1.2(3) . . . . ?
