data_2005src1626sq

_exptl_special_details
;
 A molecule of disordered solvent (possibly toluene) could not be 
 accurately modelled and thus was removed using the SQUEEZE program. 
;

 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 Dr. A. Dervisi
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C32 H36 Cl2 P2 Pd2 S2'
_chemical_formula_weight          830.37
 
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'
 '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'
 
_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    C2/c
_symmetry_space_group_name_hall   '-C 2yc'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
 
_cell_length_a                    42.3472(10)
_cell_length_b                    9.8258(3)
_cell_length_c                    17.1627(3)
_cell_angle_alpha                 90.00
_cell_angle_beta                  99.7890(10)
_cell_angle_gamma                 90.00
_cell_volume                      7037.3(3)
_cell_formula_units_Z             8
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     8454
_cell_measurement_theta_min       2.910
_cell_measurement_theta_max       27.485
 
_exptl_crystal_description        Plate
_exptl_crystal_colour             Yellow
_exptl_crystal_size_max           0.24
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.04
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.567
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              3328
_exptl_absorpt_coefficient_mu     1.404
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.7293
_exptl_absorpt_correction_T_max   0.9460
_exptl_absorpt_process_details       'SADABS V2.10 (Sheldrick, G.M., 2003)'

_diffrn_ambient_temperature           120(2)
_diffrn_radiation_wavelength           0.71073
_diffrn_radiation_type                      MoK\a
_diffrn_radiation_source                  'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_monochromator    '10cm confocal mirrors'
_diffrn_measurement_device_type  'Bruker-Nonius 95mm CCD camera on κ-goniostat'
_diffrn_measurement_method          'φ & ω scans'
_diffrn_detector_area_resol_mean   9.091
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             38474
_diffrn_reflns_av_R_equivalents   0.0589
_diffrn_reflns_av_sigmaI/netI     0.0505
_diffrn_reflns_limit_h_min        -54
_diffrn_reflns_limit_h_max        54
_diffrn_reflns_limit_k_min        -12
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -22
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_theta_min          2.91
_diffrn_reflns_theta_max          27.48
_reflns_number_total              8059
_reflns_number_gt                 6439
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        
'COLLECT (Hooft, R.W.W., 1998)'
_computing_cell_refinement        
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
#Although determined using DirAx, the cell is refined in the HKL
#package during data reduction
_computing_data_reduction         
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997a)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997b)' 
_computing_molecular_graphics     'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[σ²(Fo²)+(0.0351P)²+21.6510P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          8059
_refine_ls_number_parameters      400
_refine_ls_number_restraints      12
_refine_ls_R_factor_all           0.0533
_refine_ls_R_factor_gt            0.0378
_refine_ls_wR_factor_ref          0.0913
_refine_ls_wR_factor_gt           0.0858
_refine_ls_goodness_of_fit_ref    1.043
_refine_ls_restrained_S_all       1.043
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
 
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
Cl1 Cl 0.18607(2) 0.68997(9) 0.10042(6) 0.0268(2) Uani 1 1 d . . .
Cl2 Cl 0.09118(2) 0.27711(10) 0.21679(6) 0.0327(2) Uani 1 1 d . . .
Pd1 Pd 0.165040(6) 0.47210(3) 0.079845(15) 0.01683(8) Uani 1 1 d . A .
Pd2 Pd 0.099880(6) 0.41010(3) 0.109420(16) 0.02044(8) Uani 1 1 d . A .
C1 C 0.16197(8) 0.1678(4) 0.1536(2) 0.0186(7) Uani 1 1 d . . .
H1 H 0.1575 0.2086 0.2039 0.022 Uiso 1 1 calc R . .
C2 C 0.19787(8) 0.1843(4) 0.1504(2) 0.0195(7) Uani 1 1 d . . .
H2A H 0.2029 0.1425 0.1015 0.023 Uiso 1 1 calc R . .
H2B H 0.2109 0.1382 0.1963 0.023 Uiso 1 1 calc R . .
C3 C 0.14985(8) 0.0224(4) 0.1478(2) 0.0229(8) Uani 1 1 d . . .
H3A H 0.1569 -0.0227 0.1021 0.028 Uiso 1 1 calc R . .
H3B H 0.1261 0.0229 0.1383 0.028 Uiso 1 1 calc R . .
C4 C 0.16211(9) -0.0591(4) 0.2232(2) 0.0269(8) Uani 1 1 d . . .
H4A H 0.1855 -0.0682 0.2296 0.040 Uiso 1 1 calc R . .
H4B H 0.1523 -0.1496 0.2190 0.040 Uiso 1 1 calc R . .
H4C H 0.1564 -0.0114 0.2690 0.040 Uiso 1 1 calc R . .
C5 C 0.21227(8) 0.4068(3) 0.2569(2) 0.0178(7) Uani 1 1 d . . .
C6 C 0.18613(9) 0.4549(4) 0.2882(2) 0.0237(8) Uani 1 1 d . . .
H6 H 0.1670 0.4801 0.2539 0.028 Uiso 1 1 calc R . .
C7 C 0.18808(9) 0.4660(4) 0.3695(2) 0.0267(8) Uani 1 1 d . . .
H7 H 0.1700 0.4963 0.3908 0.032 Uiso 1 1 calc R . .
C8 C 0.21618(9) 0.4333(4) 0.4194(2) 0.0249(8) Uani 1 1 d . . .
H8 H 0.2174 0.4412 0.4750 0.030 Uiso 1 1 calc R . .
C9 C 0.24281(9) 0.3889(4) 0.3888(2) 0.0251(8) Uani 1 1 d . . .
H9 H 0.2623 0.3684 0.4232 0.030 Uiso 1 1 calc R . .
C10 C 0.24074(8) 0.3747(4) 0.3075(2) 0.0208(7) Uani 1 1 d . . .
H10 H 0.2587 0.3430 0.2863 0.025 Uiso 1 1 calc R . .
C11 C 0.24643(8) 0.3868(4) 0.12375(19) 0.0180(7) Uani 1 1 d . . .
C12 C 0.26347(8) 0.2786(4) 0.1010(2) 0.0247(8) Uani 1 1 d . . .
H12 H 0.2556 0.1885 0.1036 0.030 Uiso 1 1 calc R . .
C13 C 0.29227(9) 0.3015(4) 0.0743(2) 0.0281(9) Uani 1 1 d . . .
H13 H 0.3039 0.2268 0.0584 0.034 Uiso 1 1 calc R . .
C14 C 0.30397(9) 0.4308(4) 0.0709(2) 0.0250(8) Uani 1 1 d . . .
H14 H 0.3235 0.4456 0.0520 0.030 Uiso 1 1 calc R . .
C15 C 0.28725(8) 0.5408(4) 0.0950(2) 0.0255(8) Uani 1 1 d . . .
H15 H 0.2955 0.6304 0.0934 0.031 Uiso 1 1 calc R . .
C16 C 0.25859(8) 0.5187(4) 0.1213(2) 0.0234(8) Uani 1 1 d . . .
H16 H 0.2471 0.5934 0.1378 0.028 Uiso 1 1 calc R . .
P1 P 0.20732(2) 0.36660(9) 0.15234(5) 0.01680(18) Uani 1 1 d . . .
S1 S 0.14025(2) 0.26565(9) 0.06969(5) 0.01862(18) Uani 1 1 d . . .
C21 C 0.10130(9) 0.7108(4) 0.0237(2) 0.0232(8) Uani 1 1 d . A .
H21 H 0.1163 0.7528 0.0685 0.028 Uiso 1 1 calc R . .
C22 C 0.06777(9) 0.7010(4) 0.0448(2) 0.0283(9) Uani 1 1 d . A .
H22A H 0.0526 0.6665 -0.0013 0.034 Uiso 1 1 calc R . .
H22B H 0.0605 0.7925 0.0582 0.034 Uiso 1 1 calc R . .
C23 C 0.10112(9) 0.7943(4) -0.0517(2) 0.0285(9) Uani 1 1 d . . .
H23A H 0.0853 0.7537 -0.0946 0.034 Uiso 1 1 calc R . .
H23B H 0.0938 0.8876 -0.0425 0.034 Uiso 1 1 calc R . .
C24 C 0.13316(9) 0.8034(4) -0.0794(2) 0.0316(9) Uani 1 1 d . . .
H24A H 0.1494 0.8367 -0.0360 0.047 Uiso 1 1 calc R . .
H24B H 0.1315 0.8663 -0.1242 0.047 Uiso 1 1 calc R . .
H24C H 0.1393 0.7130 -0.0958 0.047 Uiso 1 1 calc R . .
C25 C 0.08330(8) 0.6909(4) 0.2157(2) 0.0244(8) Uani 1 1 d . A .
C26 C 0.10297(8) 0.6332(4) 0.2796(2) 0.0252(8) Uani 1 1 d . . .
H26 H 0.1093 0.5407 0.2777 0.030 Uiso 1 1 calc R . .
C27 C 0.11351(9) 0.7109(4) 0.3467(2) 0.0273(8) Uani 1 1 d . . .
H27 H 0.1270 0.6711 0.3907 0.033 Uiso 1 1 calc R . .
C28 C 0.10448(9) 0.8449(4) 0.3498(2) 0.0300(9) Uani 1 1 d . . .
H28 H 0.1114 0.8967 0.3964 0.036 Uiso 1 1 calc R . .
C29 C 0.08558(10) 0.9042(4) 0.2861(3) 0.0359(10) Uani 1 1 d . . .
H29 H 0.0800 0.9978 0.2876 0.043 Uiso 1 1 calc R . .
C30 C 0.07457(10) 0.8269(4) 0.2192(2) 0.0338(9) Uani 1 1 d . . .
H30 H 0.0610 0.8672 0.1756 0.041 Uiso 1 1 calc R . .
C31 C 0.02631(8) 0.5493(4) 0.1329(2) 0.0246(8) Uani 0.55(2) 1 d PD A 1
C32 C 0.0177(2) 0.4287(12) 0.1586(11) 0.041(4) Uani 0.55(2) 1 d PD A 1
H32 H 0.0333 0.3593 0.1711 0.049 Uiso 0.55(2) 1 calc PR A 1
C33 C -0.0141(2) 0.4030(13) 0.1675(11) 0.043(3) Uani 0.55(2) 1 d PD A 1
H33 H -0.0193 0.3207 0.1914 0.051 Uiso 0.55(2) 1 calc PR A 1
C34 C -0.03703(10) 0.4948(5) 0.1423(3) 0.0373(10) Uani 0.55(2) 1 d PD A 1
H34 H -0.0587 0.4753 0.1464 0.045 Uiso 0.55(2) 1 calc PR A 1
C35 C -0.0295(2) 0.6168(11) 0.1106(12) 0.055(4) Uani 0.55(2) 1 d PD A 1
H35 H -0.0459 0.6817 0.0934 0.065 Uiso 0.55(2) 1 calc PR A 1
C36 C 0.0023(2) 0.6445(12) 0.1039(13) 0.053(4) Uani 0.55(2) 1 d PD A 1
H36 H 0.0076 0.7267 0.0800 0.064 Uiso 0.55(2) 1 calc PR A 1
P2 P 0.06806(2) 0.58653(10) 0.12871(6) 0.0232(2) Uani 1 1 d . . .
S2 S 0.11374(2) 0.53394(9) 0.00805(5) 0.01938(18) Uani 1 1 d . . .
C131 C 0.02631(8) 0.5493(4) 0.1329(2) 0.0246(8) Uani 0.45(2) 1 d PD A 2
C132 C 0.0159(3) 0.4213(12) 0.1238(11) 0.034(4) Uani 0.45(2) 1 d PD A 2
H132 H 0.0301 0.3505 0.1145 0.041 Uiso 0.45(2) 1 calc PR A 2
C133 C -0.0160(2) 0.3920(12) 0.1279(11) 0.032(3) Uani 0.45(2) 1 d PD A 2
H133 H -0.0235 0.3010 0.1209 0.039 Uiso 0.45(2) 1 calc PR A 2
C134 C -0.03703(10) 0.4948(5) 0.1423(3) 0.0373(10) Uani 0.45(2) 1 d PD A 2
H134 H -0.0588 0.4742 0.1448 0.045 Uiso 0.45(2) 1 calc PR A 2
C135 C -0.0261(3) 0.6238(11) 0.1526(11) 0.035(3) Uani 0.45(2) 1 d PD A 2
H135 H -0.0403 0.6952 0.1610 0.042 Uiso 0.45(2) 1 calc PR A 2
C136 C 0.0060(3) 0.6517(11) 0.1507(12) 0.034(3) Uani 0.45(2) 1 d PD A 2
H136 H 0.0141 0.7411 0.1617 0.040 Uiso 0.45(2) 1 calc PR A 2
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
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
Cl1 Pd1 2.3224(9) . ?
Cl2 Pd2 2.3388(10) . ?
Pd1 P1 2.2519(9) . ?
Pd1 S1 2.2772(9) . ?
Pd1 S2 2.3868(9) . ?
Pd1 Pd2 2.9528(4) . ?
Pd2 P2 2.2545(10) . ?
Pd2 S2 2.2802(9) . ?
Pd2 S1 2.4079(9) . ?
C1 C3 1.515(5) . ?
C1 C2 1.539(4) . ?
C1 S1 1.842(4) . ?
C1 H1 1.0000 . ?
C2 P1 1.834(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.535(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.393(5) . ?
C5 C10 1.397(5) . ?
C5 P1 1.814(3) . ?
C6 C7 1.387(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.381(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.393(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.390(5) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.378(5) . ?
C11 C16 1.397(5) . ?
C11 P1 1.816(3) . ?
C12 C13 1.392(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.368(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.393(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(5) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C22 1.526(5) . ?
C21 C23 1.532(5) . ?
C21 S2 1.849(4) . ?
C21 H21 1.0000 . ?
C22 P2 1.826(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.515(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.381(5) . ?
C25 C30 1.391(5) . ?
C25 P2 1.835(4) . ?
C26 C27 1.391(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.375(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.371(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(6) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.337(10) . ?
C31 C36 1.410(9) . ?
C31 P2 1.819(4) . ?
C32 C33 1.400(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.343(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.376(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.398(11) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C132 C133 1.394(12) . ?
C132 H132 0.9500 . ?
C133 H133 0.9500 . ?
C135 C136 1.394(11) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
 
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
P1 Pd1 S1 86.86(3) . . ?
P1 Pd1 Cl1 95.28(3) . . ?
S1 Pd1 Cl1 173.05(3) . . ?
P1 Pd1 S2 166.13(3) . . ?
S1 Pd1 S2 79.62(3) . . ?
Cl1 Pd1 S2 97.79(3) . . ?
P1 Pd1 Pd2 119.25(2) . . ?
S1 Pd1 Pd2 52.93(2) . . ?
Cl1 Pd1 Pd2 120.62(2) . . ?
S2 Pd1 Pd2 49.17(2) . . ?
P2 Pd2 S2 86.53(3) . . ?
P2 Pd2 Cl2 97.80(4) . . ?
S2 Pd2 Cl2 174.16(3) . . ?
P2 Pd2 S1 164.95(3) . . ?
S2 Pd2 S1 79.12(3) . . ?
Cl2 Pd2 S1 96.22(3) . . ?
P2 Pd2 Pd1 117.78(3) . . ?
S2 Pd2 Pd1 52.37(2) . . ?
Cl2 Pd2 Pd1 121.85(3) . . ?
S1 Pd2 Pd1 48.99(2) . . ?
C3 C1 C2 115.0(3) . . ?
C3 C1 S1 108.8(2) . . ?
C2 C1 S1 106.4(2) . . ?
C3 C1 H1 108.8 . . ?
C2 C1 H1 108.8 . . ?
S1 C1 H1 108.8 . . ?
C1 C2 P1 108.4(2) . . ?
C1 C2 H2A 110.0 . . ?
P1 C2 H2A 110.0 . . ?
C1 C2 H2B 110.0 . . ?
P1 C2 H2B 110.0 . . ?
H2A C2 H2B 108.4 . . ?
C1 C3 C4 112.0(3) . . ?
C1 C3 H3A 109.2 . . ?
C4 C3 H3A 109.2 . . ?
C1 C3 H3B 109.2 . . ?
C4 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 119.7(3) . . ?
C6 C5 P1 119.3(3) . . ?
C10 C5 P1 120.6(3) . . ?
C7 C6 C5 120.0(3) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C8 C7 C6 120.2(3) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C7 C8 C9 120.4(3) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 119.5(3) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C5 120.1(3) . . ?
C9 C10 H10 119.9 . . ?
C5 C10 H10 119.9 . . ?
C12 C11 C16 119.6(3) . . ?
C12 C11 P1 122.5(3) . . ?
C16 C11 P1 117.8(3) . . ?
C11 C12 C13 119.9(3) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C14 C13 C12 120.5(3) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 120.1(3) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 119.6(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C11 120.3(3) . . ?
C15 C16 H16 119.9 . . ?
C11 C16 H16 119.9 . . ?
C5 P1 C11 106.61(15) . . ?
C5 P1 C2 102.61(16) . . ?
C11 P1 C2 107.95(15) . . ?
C5 P1 Pd1 113.18(11) . . ?
C11 P1 Pd1 118.44(11) . . ?
C2 P1 Pd1 106.80(11) . . ?
C1 S1 Pd1 104.05(11) . . ?
C1 S1 Pd2 111.76(11) . . ?
Pd1 S1 Pd2 78.08(3) . . ?
C22 C21 C23 111.2(3) . . ?
C22 C21 S2 106.0(3) . . ?
C23 C21 S2 109.9(2) . . ?
C22 C21 H21 109.9 . . ?
C23 C21 H21 109.9 . . ?
S2 C21 H21 109.9 . . ?
C21 C22 P2 110.1(2) . . ?
C21 C22 H22A 109.6 . . ?
P2 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
P2 C22 H22B 109.6 . . ?
H22A C22 H22B 108.2 . . ?
C24 C23 C21 114.9(3) . . ?
C24 C23 H23A 108.5 . . ?
C21 C23 H23A 108.5 . . ?
C24 C23 H23B 108.5 . . ?
C21 C23 H23B 108.5 . . ?
H23A C23 H23B 107.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 119.2(4) . . ?
C26 C25 P2 119.9(3) . . ?
C30 C25 P2 120.9(3) . . ?
C25 C26 C27 119.9(4) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C28 C27 C26 120.3(4) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 120.3(4) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C30 119.7(4) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
C29 C30 C25 120.5(4) . . ?
C29 C30 H30 119.7 . . ?
C25 C30 H30 119.7 . . ?
C32 C31 C36 118.9(6) . . ?
C32 C31 P2 120.9(5) . . ?
C36 C31 P2 120.1(5) . . ?
C31 C32 C33 121.2(9) . . ?
C31 C32 H32 119.4 . . ?
C33 C32 H32 119.4 . . ?
C34 C33 C32 119.9(8) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.6(6) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C34 C35 C36 119.5(9) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C35 C36 C31 119.3(8) . . ?
C35 C36 H36 120.3 . . ?
C31 C36 H36 120.3 . . ?
C31 P2 C22 106.18(17) . . ?
C31 P2 C25 106.88(16) . . ?
C22 P2 C25 104.60(18) . . ?
C31 P2 Pd2 117.41(13) . . ?
C22 P2 Pd2 106.35(12) . . ?
C25 P2 Pd2 114.37(12) . . ?
C21 S2 Pd2 105.89(11) . . ?
C21 S2 Pd1 114.90(13) . . ?
Pd2 S2 Pd1 78.46(3) . . ?
C133 C132 H132 120.2 . . ?
C132 C133 H133 119.6 . . ?
C136 C135 H135 120.2 . . ?
C135 C136 H136 119.8 . . ?
 
_diffrn_measured_fraction_theta_max    0.998
_diffrn_reflns_theta_full              27.48
_diffrn_measured_fraction_theta_full   0.998
_refine_diff_density_max    1.286
_refine_diff_density_min   -1.131
_refine_diff_density_rms    0.116
