 
data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C16 H16 Cl N2 P Pd S'
_chemical_formula_sum
 'C16 H16 Cl N2 P Pd S'
_chemical_formula_weight          441.20
 
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'
 '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    P2(1)/c
_symmetry_space_group_name_hall   '-P 2ybc'
 
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'
 
_cell_length_a                    11.628(2)
_cell_length_b                    16.911(3)
_cell_length_c                    17.514(4)
_cell_angle_alpha                 90.00
_cell_angle_beta                  94.92(3)
_cell_angle_gamma                 90.00
_cell_volume                      3431.4(12)
_cell_formula_units_Z             8
_cell_measurement_temperature     150(2)
_cell_measurement_reflns_used     12912
_cell_measurement_theta_min       5.11
_cell_measurement_theta_max       23.24
 
_exptl_crystal_description        rod
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.45
_exptl_crystal_size_mid           0.14
_exptl_crystal_size_min           0.05
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.708
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1760
_exptl_absorpt_coefficient_mu     1.449
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.5618
_exptl_absorpt_correction_T_max   0.9311
_exptl_absorpt_process_details    'SORTAV (R.H. Blessing, 1995,1997)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       150(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Nonius KappaCCD Area Detector'
_diffrn_measurement_method        '\\f and \\w scans to fill Ewald Sphere'
_diffrn_detector_area_resol_mean  9.091
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             24868
_diffrn_reflns_av_R_equivalents   0.0461
_diffrn_reflns_av_sigmaI/netI     0.0497
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        -20
_diffrn_reflns_limit_k_max        21
_diffrn_reflns_limit_l_min        -18
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_theta_min          2.98
_diffrn_reflns_theta_max          27.49
_reflns_number_total              7798
_reflns_number_gt                 6398
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection        
;
'DENZO (Otwinowski and Minor, 1997) & COLLECT (Hooft, 1998) '
;
_computing_cell_refinement        'DENZO and COLLECT'
_computing_data_reduction         'DENZO and COLLECT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_computing_molecular_graphics     ?
_computing_publication_material   SHELXL-97
 
_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 > 2σ(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)+(0.0407P)²+0.2662P] 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      SHELXL
_refine_ls_extinction_coef        0.00116(15)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          7798
_refine_ls_number_parameters      400
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0456
_refine_ls_R_factor_gt            0.0326
_refine_ls_wR_factor_ref          0.0792
_refine_ls_wR_factor_gt           0.0739
_refine_ls_goodness_of_fit_ref    1.026
_refine_ls_restrained_S_all       1.026
_refine_ls_shift/su_max           0.018
_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
C4 C 0.5444(2) 0.55506(16) 0.09257(15) 0.0295(6) Uani 1 1 d . . .
H4 H 0.4966 0.5099 0.0837 0.035 Uiso 1 1 calc R . .
C5 C 0.5065(2) 0.62869(16) 0.07827(16) 0.0337(6) Uani 1 1 d . . .
H5 H 0.4303 0.6417 0.0584 0.040 Uiso 1 1 calc R . .
C20 C 0.8873(2) 0.37178(16) 0.19776(18) 0.0356(7) Uani 1 1 d . . .
H20A H 0.9504 0.3701 0.1641 0.053 Uiso 1 1 calc R . .
H20B H 0.8500 0.3198 0.1981 0.053 Uiso 1 1 calc R . .
H20C H 0.9183 0.3855 0.2499 0.053 Uiso 1 1 calc R . .
C21 C 0.5513(2) 1.01154(14) 0.18866(14) 0.0233(5) Uani 1 1 d . . .
C22 C 0.6450(2) 1.06142(15) 0.20119(16) 0.0320(6) Uani 1 1 d . . .
H22 H 0.7210 1.0410 0.2007 0.038 Uiso 1 1 calc R . .
C23 C 0.6286(3) 1.14118(16) 0.21443(19) 0.0392(7) Uani 1 1 d . . .
H23 H 0.6931 1.1754 0.2233 0.047 Uiso 1 1 calc R . .
C24 C 0.5186(3) 1.17037(15) 0.21466(17) 0.0365(7) Uani 1 1 d . . .
H24 H 0.5074 1.2249 0.2250 0.044 Uiso 1 1 calc R . .
C25 C 0.4240(2) 1.12188(16) 0.20015(17) 0.0367(7) Uani 1 1 d . . .
H25 H 0.3481 1.1431 0.1987 0.044 Uiso 1 1 calc R . .
C26 C 0.4404(2) 1.04195(15) 0.18767(16) 0.0311(6) Uani 1 1 d . . .
H26 H 0.3757 1.0079 0.1784 0.037 Uiso 1 1 calc R . .
C27 C 0.4542(2) 0.86467(14) 0.12927(15) 0.0256(6) Uani 1 1 d . . .
C28 C 0.4563(3) 0.85633(17) 0.05023(17) 0.0373(7) Uani 1 1 d . . .
H28 H 0.5208 0.8748 0.0256 0.045 Uiso 1 1 calc R . .
C29 C 0.3639(3) 0.8210(2) 0.00739(18) 0.0466(8) Uani 1 1 d . . .
H29 H 0.3656 0.8153 -0.0465 0.056 Uiso 1 1 calc R . .
C30 C 0.2708(3) 0.79438(17) 0.04230(18) 0.0424(8) Uani 1 1 d . . .
H30 H 0.2087 0.7694 0.0128 0.051 Uiso 1 1 calc R . .
C31 C 0.2665(3) 0.80357(18) 0.12006(19) 0.0447(8) Uani 1 1 d . . .
H31 H 0.2007 0.7861 0.1439 0.054 Uiso 1 1 calc R . .
C32 C 0.3577(2) 0.83813(16) 0.16346(17) 0.0351(7) Uani 1 1 d . . .
H32 H 0.3545 0.8439 0.2172 0.042 Uiso 1 1 calc R . .
C33 C 0.6603(2) 0.83437(13) 0.31042(15) 0.0239(5) Uani 1 1 d . . .
C34 C 0.8023(2) 0.76521(17) 0.39403(17) 0.0370(7) Uani 1 1 d . . .
H34 H 0.8490 0.7391 0.4335 0.044 Uiso 1 1 calc R . .
C35 C 0.8318(2) 0.77667(15) 0.32340(17) 0.0332(6) Uani 1 1 d . . .
H35 H 0.9036 0.7592 0.3074 0.040 Uiso 1 1 calc R . .
C36 C 0.7443(3) 0.92447(19) 0.06049(17) 0.0447(8) Uani 1 1 d . . .
H36A H 0.6737 0.9563 0.0545 0.067 Uiso 1 1 calc R . .
H36B H 0.7448 0.8870 0.0178 0.067 Uiso 1 1 calc R . .
H36C H 0.8117 0.9592 0.0607 0.067 Uiso 1 1 calc R . .
N3 N 0.56915(17) 0.87540(12) 0.27500(11) 0.0227(4) Uani 1 1 d . . .
H3 H 0.5072 0.8852 0.2989 0.027 Uiso 1 1 calc R . .
N4 N 0.75069(17) 0.81595(12) 0.27426(12) 0.0253(5) Uani 1 1 d . . .
C1 C 0.9534(2) 0.56835(15) 0.27949(14) 0.0237(5) Uani 1 1 d . . .
C7 C 0.7059(2) 0.61992(14) 0.12772(14) 0.0214(5) Uani 1 1 d . . .
C8 C 1.0196(2) 0.55252(14) 0.12728(14) 0.0230(5) Uani 1 1 d . . .
C9 C 1.0162(2) 0.59393(15) 0.05904(15) 0.0300(6) Uani 1 1 d . . .
H9 H 0.9485 0.6223 0.0414 0.036 Uiso 1 1 calc R . .
C10 C 1.1107(3) 0.59419(17) 0.01648(16) 0.0363(7) Uani 1 1 d . . .
H10 H 1.1079 0.6226 -0.0304 0.044 Uiso 1 1 calc R . .
C11 C 1.2093(2) 0.55320(17) 0.04187(17) 0.0347(7) Uani 1 1 d . . .
H11 H 1.2744 0.5537 0.0126 0.042 Uiso 1 1 calc R . .
C12 C 1.2133(2) 0.51153(17) 0.10958(17) 0.0356(7) Uani 1 1 d . . .
H12 H 1.2812 0.4834 0.1270 0.043 Uiso 1 1 calc R . .
C13 C 1.1185(2) 0.51065(16) 0.15217(15) 0.0301(6) Uani 1 1 d . . .
H13 H 1.1211 0.4813 0.1986 0.036 Uiso 1 1 calc R . .
C15 C 0.9050(2) 0.52984(17) 0.33954(16) 0.0325(6) Uani 1 1 d . . .
H15 H 0.8477 0.4904 0.3290 0.039 Uiso 1 1 calc R . .
C16 C 0.9412(3) 0.54957(18) 0.41464(17) 0.0388(7) Uani 1 1 d . . .
H16 H 0.9080 0.5237 0.4556 0.047 Uiso 1 1 calc R . .
C17 C 1.0243(3) 0.60612(18) 0.43029(17) 0.0397(7) Uani 1 1 d . . .
H17 H 1.0475 0.6197 0.4820 0.048 Uiso 1 1 calc R . .
C18 C 1.0746(3) 0.64341(17) 0.37132(18) 0.0375(7) Uani 1 1 d . . .
H18 H 1.1337 0.6816 0.3823 0.045 Uiso 1 1 calc R . .
C19 C 1.0385(2) 0.62481(16) 0.29630(15) 0.0286(6) Uani 1 1 d . . .
H19 H 1.0723 0.6509 0.2557 0.034 Uiso 1 1 calc R . .
N1 N 0.65886(17) 0.54982(11) 0.12136(12) 0.0225(5) Uani 1 1 d . . .
N2 N 0.81859(17) 0.63017(12) 0.15561(12) 0.0256(5) Uani 1 1 d . . .
H2A H 0.8497 0.6776 0.1594 0.031 Uiso 1 1 calc R . .
P1 P 0.89595(5) 0.54839(4) 0.18265(4) 0.02149(15) Uani 1 1 d . . .
P2 P 0.57892(6) 0.90684(4) 0.18357(4) 0.02257(15) Uani 1 1 d . . .
S1 S 0.61450(6) 0.69682(4) 0.10065(4) 0.02868(16) Uani 1 1 d . . .
S2 S 0.66683(6) 0.80445(4) 0.40453(4) 0.03379(17) Uani 1 1 d . . .
Cl1 Cl 0.63378(6) 0.35443(4) 0.11992(4) 0.02905(15) Uani 1 1 d . . .
Cl2 Cl 0.92358(6) 0.80127(4) 0.13070(4) 0.03760(18) Uani 1 1 d . . .
Pd1 Pd 0.769668(15) 0.454476(11) 0.158674(11) 0.02118(7) Uani 1 1 d . . .
Pd2 Pd 0.749674(16) 0.863893(12) 0.161008(12) 0.02528(7) Uani 1 1 d . . .
 
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C4 C5 1.337(4) . ?
C4 N1 1.385(3) . ?
C4 H4 0.9500 . ?
C5 S1 1.724(3) . ?
C5 H5 0.9500 . ?
C20 Pd1 2.034(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.380(4) . ?
C21 C26 1.388(3) . ?
C21 P2 1.803(2) . ?
C22 C23 1.384(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.372(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.378(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.385(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.391(4) . ?
C27 C28 1.394(4) . ?
C27 P2 1.811(3) . ?
C28 C29 1.392(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.364(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.376(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.380(4) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 N4 1.310(3) . ?
C33 N3 1.370(3) . ?
C33 S2 1.720(3) . ?
C34 C35 1.326(4) . ?
C34 S2 1.734(3) . ?
C34 H34 0.9500 . ?
C35 N4 1.390(3) . ?
C35 H35 0.9500 . ?
C36 Pd2 2.033(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
N3 P2 1.700(2) . ?
N3 H3 0.8800 . ?
N4 Pd2 2.142(2) . ?
C1 C19 1.389(4) . ?
C1 C15 1.396(4) . ?
C1 P1 1.801(3) . ?
C7 N1 1.307(3) . ?
C7 N2 1.369(3) . ?
C7 S1 1.720(2) . ?
C8 C9 1.383(4) . ?
C8 C13 1.389(4) . ?
C8 P1 1.803(3) . ?
C9 C10 1.380(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.380(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.377(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.383(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C15 C16 1.387(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.371(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.381(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
N1 Pd1 2.131(2) . ?
N2 P1 1.695(2) . ?
N2 H2A 0.8800 . ?
P1 Pd1 2.1792(7) . ?
P2 Pd2 2.1819(8) . ?
Cl1 Pd1 2.3740(7) . ?
Cl2 Pd2 2.3826(8) . ?
 
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
C5 C4 N1 114.8(2) . . ?
C5 C4 H4 122.6 . . ?
N1 C4 H4 122.6 . . ?
C4 C5 S1 110.9(2) . . ?
C4 C5 H5 124.5 . . ?
S1 C5 H5 124.5 . . ?
Pd1 C20 H20A 109.5 . . ?
Pd1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Pd1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 119.7(2) . . ?
C22 C21 P2 117.83(19) . . ?
C26 C21 P2 122.17(19) . . ?
C21 C22 C23 120.3(3) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C24 C23 C22 119.5(3) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C25 121.0(2) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C24 C25 C26 119.4(3) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
C25 C26 C21 120.0(3) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
C32 C27 C28 118.6(3) . . ?
C32 C27 P2 122.7(2) . . ?
C28 C27 P2 118.7(2) . . ?
C29 C28 C27 120.1(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 C28 120.4(3) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 120.3(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C30 C31 C32 120.1(3) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C31 C32 C27 120.6(3) . . ?
C31 C32 H32 119.7 . . ?
C27 C32 H32 119.7 . . ?
N4 C33 N3 121.5(2) . . ?
N4 C33 S2 114.96(19) . . ?
N3 C33 S2 123.50(19) . . ?
C35 C34 S2 110.7(2) . . ?
C35 C34 H34 124.7 . . ?
S2 C34 H34 124.7 . . ?
C34 C35 N4 115.6(2) . . ?
C34 C35 H35 122.2 . . ?
N4 C35 H35 122.2 . . ?
Pd2 C36 H36A 109.5 . . ?
Pd2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Pd2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 N3 P2 118.25(17) . . ?
C33 N3 H3 120.9 . . ?
P2 N3 H3 120.9 . . ?
C33 N4 C35 110.1(2) . . ?
C33 N4 Pd2 114.62(17) . . ?
C35 N4 Pd2 134.74(17) . . ?
C19 C1 C15 119.2(2) . . ?
C19 C1 P1 121.91(19) . . ?
C15 C1 P1 118.8(2) . . ?
N1 C7 N2 121.8(2) . . ?
N1 C7 S1 114.70(18) . . ?
N2 C7 S1 123.53(18) . . ?
C9 C8 C13 119.4(2) . . ?
C9 C8 P1 121.3(2) . . ?
C13 C8 P1 119.25(19) . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 120.2(3) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C12 C11 C10 120.0(2) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.1(3) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C8 120.1(3) . . ?
C12 C13 H13 119.9 . . ?
C8 C13 H13 119.9 . . ?
C16 C15 C1 119.6(3) . . ?
C16 C15 H15 120.2 . . ?
C1 C15 H15 120.2 . . ?
C17 C16 C15 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 120.3(3) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C19 C18 C17 119.6(3) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C1 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C1 C19 H19 119.6 . . ?
C7 N1 C4 110.8(2) . . ?
C7 N1 Pd1 114.99(16) . . ?
C4 N1 Pd1 134.17(17) . . ?
C7 N2 P1 117.71(17) . . ?
C7 N2 H2A 121.1 . . ?
P1 N2 H2A 121.1 . . ?
N2 P1 C1 104.79(11) . . ?
N2 P1 C8 104.28(11) . . ?
C1 P1 C8 104.53(12) . . ?
N2 P1 Pd1 102.01(8) . . ?
C1 P1 Pd1 120.50(9) . . ?
C8 P1 Pd1 118.67(8) . . ?
N3 P2 C21 103.53(11) . . ?
N3 P2 C27 104.85(11) . . ?
C21 P2 C27 105.96(11) . . ?
N3 P2 Pd2 101.64(8) . . ?
C21 P2 Pd2 120.29(8) . . ?
C27 P2 Pd2 118.29(8) . . ?
C7 S1 C5 88.76(13) . . ?
C33 S2 C34 88.68(14) . . ?
C20 Pd1 N1 174.28(10) . . ?
C20 Pd1 P1 90.77(9) . . ?
N1 Pd1 P1 83.54(6) . . ?
C20 Pd1 Cl1 91.05(9) . . ?
N1 Pd1 Cl1 94.67(6) . . ?
P1 Pd1 Cl1 174.52(3) . . ?
C36 Pd2 N4 171.84(11) . . ?
C36 Pd2 P2 91.61(9) . . ?
N4 Pd2 P2 83.75(6) . . ?
C36 Pd2 Cl2 89.70(9) . . ?
N4 Pd2 Cl2 95.78(6) . . ?
P2 Pd2 Cl2 172.41(2) . . ?
 
_diffrn_measured_fraction_theta_max    0.990
_diffrn_reflns_theta_full              27.49
_diffrn_measured_fraction_theta_full   0.990
_refine_diff_density_max    0.506
_refine_diff_density_min   -0.923
_refine_diff_density_rms    0.107
