# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex_2a
_database_code_depnum_ccdc_archive 'CCDC 1902843'
loop_
_audit_author_name
_audit_author_address
'Yasuyuki Ura'
;Nara Women's University
Japan
;
_audit_update_record             
;
2019-03-13 deposited with the CCDC.	2020-09-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H42 Cl2 O4 P4 Pd2'
_chemical_formula_weight         1090.40

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'
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'
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           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.8642(15)
_cell_length_b                   13.1675(15)
_cell_length_c                   17.343(2)
_cell_angle_alpha                68.772(6)
_cell_angle_beta                 78.937(8)
_cell_angle_gamma                63.277(5)
_cell_volume                     2254.4(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    6798
_cell_measurement_theta_min      1.8242
_cell_measurement_theta_max      31.2689

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1096
_exptl_absorpt_coefficient_mu    1.102
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8097
_exptl_absorpt_correction_T_max  0.9783
_exptl_absorpt_process_details   DTABSCOR

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17758
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0468
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         27.00
_reflns_number_total             9460
_reflns_number_gt                7335
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Mercury 3.10.1'
_computing_publication_material  'Mercury 3.10.1'

_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)+(0.0319P)²+1.6539P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9460
_refine_ls_number_parameters     543
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.0861
_refine_ls_wR_factor_gt          0.0762
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_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
Pd1 Pd 0.60515(2) 0.85286(2) 0.493690(15) 0.01771(7) Uani 1 1 d . . .
P1 P 0.56875(9) 0.69368(8) 0.50592(6) 0.02128(19) Uani 1 1 d . . .
C1 C 0.5134(3) 0.6347(3) 0.6090(2) 0.0258(8) Uani 1 1 d . . .
C2 C 0.4716(4) 0.5443(3) 0.6259(2) 0.0340(9) Uani 1 1 d . . .
H1 H 0.4698 0.5165 0.5829 0.041 Uiso 1 1 calc R . .
C3 C 0.4329(4) 0.4958(4) 0.7062(3) 0.0423(11) Uani 1 1 d . . .
H2 H 0.4044 0.4346 0.7181 0.051 Uiso 1 1 calc R . .
C4 C 0.4359(4) 0.5363(4) 0.7688(3) 0.0441(11) Uani 1 1 d . . .
H3 H 0.4088 0.5030 0.8234 0.053 Uiso 1 1 calc R . .
C5 C 0.4772(5) 0.6234(4) 0.7527(3) 0.0470(12) Uani 1 1 d . . .
H4 H 0.4794 0.6507 0.7959 0.056 Uiso 1 1 calc R . .
C6 C 0.5161(4) 0.6723(4) 0.6724(2) 0.0355(10) Uani 1 1 d . . .
H5 H 0.5452 0.7328 0.6613 0.043 Uiso 1 1 calc R . .
C7 C 0.4392(3) 0.7520(3) 0.4383(2) 0.0268(8) Uani 1 1 d . . .
C8 C 0.4673(4) 0.7714(4) 0.3540(3) 0.0406(10) Uani 1 1 d . . .
H6 H 0.5523 0.7514 0.3335 0.049 Uiso 1 1 calc R . .
C9 C 0.3704(5) 0.8201(5) 0.2999(3) 0.0561(14) Uani 1 1 d . . .
H7 H 0.3895 0.8336 0.2422 0.067 Uiso 1 1 calc R . .
C10 C 0.2473(4) 0.8491(4) 0.3288(3) 0.0481(12) Uani 1 1 d . . .
H8 H 0.1817 0.8814 0.2915 0.058 Uiso 1 1 calc R . .
C11 C 0.2193(4) 0.8311(4) 0.4122(3) 0.0405(10) Uani 1 1 d . . .
H9 H 0.1342 0.8520 0.4323 0.049 Uiso 1 1 calc R . .
C12 C 0.3141(4) 0.7830(4) 0.4662(2) 0.0347(9) Uani 1 1 d . . .
H10 H 0.2938 0.7706 0.5236 0.042 Uiso 1 1 calc R . .
P2 P 0.81223(8) 0.75885(8) 0.46500(5) 0.01893(19) Uani 1 1 d . . .
C13 C 0.8563(3) 0.8477(3) 0.3672(2) 0.0213(7) Uani 1 1 d . . .
C14 C 0.8771(3) 0.9468(3) 0.3593(2) 0.0272(8) Uani 1 1 d . . .
H11 H 0.8705 0.9695 0.4067 0.033 Uiso 1 1 calc R . .
C15 C 0.9076(4) 1.0127(4) 0.2821(2) 0.0363(10) Uani 1 1 d . . .
H12 H 0.9191 1.0819 0.2765 0.044 Uiso 1 1 calc R . .
C16 C 0.9212(4) 0.9778(4) 0.2137(2) 0.0378(10) Uani 1 1 d . . .
H13 H 0.9438 1.0221 0.1613 0.045 Uiso 1 1 calc R . .
C17 C 0.9021(4) 0.8797(4) 0.2212(2) 0.0383(10) Uani 1 1 d . . .
H14 H 0.9118 0.8559 0.1738 0.046 Uiso 1 1 calc R . .
C18 C 0.8684(4) 0.8143(3) 0.2977(2) 0.0298(9) Uani 1 1 d . . .
H15 H 0.8537 0.7471 0.3023 0.036 Uiso 1 1 calc R . .
C19 C 0.9134(3) 0.7433(3) 0.5389(2) 0.0218(7) Uani 1 1 d . . .
C20 C 0.8817(4) 0.8213(4) 0.5834(2) 0.0366(10) Uani 1 1 d . . .
H16 H 0.8000 0.8851 0.5795 0.044 Uiso 1 1 calc R . .
C21 C 0.9703(4) 0.8064(4) 0.6342(3) 0.0467(12) Uani 1 1 d . . .
H17 H 0.9489 0.8612 0.6638 0.056 Uiso 1 1 calc R . .
C22 C 1.0877(4) 0.7129(4) 0.6415(2) 0.0366(10) Uani 1 1 d . . .
H18 H 1.1471 0.7028 0.6764 0.044 Uiso 1 1 calc R . .
C23 C 1.1194(4) 0.6337(4) 0.5983(2) 0.0342(9) Uani 1 1 d . . .
H19 H 1.2004 0.5685 0.6038 0.041 Uiso 1 1 calc R . .
C24 C 1.0331(3) 0.6493(3) 0.5470(2) 0.0293(9) Uani 1 1 d . . .
H20 H 1.0559 0.5950 0.5167 0.035 Uiso 1 1 calc R . .
O1 O 0.6753(2) 0.5894(2) 0.47908(16) 0.0303(6) Uani 1 1 d . . .
H21 H 0.7426 0.5989 0.4703 0.037(12) Uiso 1 1 calc R . .
O2 O 0.8583(2) 0.6335(2) 0.45698(15) 0.0255(6) Uani 1 1 d . . .
Pd2 Pd 0.41637(2) 0.64350(2) 0.016849(16) 0.02049(8) Uani 1 1 d . . .
Cl1 Cl 0.61576(8) 1.04071(7) 0.47158(5) 0.02207(18) Uani 1 1 d . . .
Cl2 Cl 0.38793(8) 0.46023(8) 0.05076(5) 0.02475(19) Uani 1 1 d . . .
P3 P 0.21716(8) 0.73821(8) 0.05865(5) 0.0211(2) Uani 1 1 d . . .
C25 C 0.1121(3) 0.7514(3) -0.0115(2) 0.0235(8) Uani 1 1 d . . .
C26 C 0.1555(4) 0.6955(4) -0.0721(2) 0.0342(9) Uani 1 1 d . . .
H22 H 0.2428 0.6463 -0.0771 0.041 Uiso 1 1 calc R . .
C27 C 0.0710(4) 0.7115(4) -0.1255(3) 0.0405(11) Uani 1 1 d . . .
H23 H 0.1006 0.6726 -0.1667 0.049 Uiso 1 1 calc R . .
C28 C -0.0552(4) 0.7833(4) -0.1189(2) 0.0381(10) Uani 1 1 d . . .
H24 H -0.1124 0.7933 -0.1555 0.046 Uiso 1 1 calc R . .
C29 C -0.0997(4) 0.8413(4) -0.0596(2) 0.0362(10) Uani 1 1 d . . .
H25 H -0.1870 0.8909 -0.0553 0.043 Uiso 1 1 calc R . .
C30 C -0.0158(4) 0.8263(3) -0.0063(2) 0.0302(9) Uani 1 1 d . . .
H26 H -0.0454 0.8671 0.0338 0.036 Uiso 1 1 calc R . .
C31 C 0.1852(3) 0.6503(3) 0.1603(2) 0.0245(8) Uani 1 1 d . . .
C32 C 0.1312(4) 0.5714(4) 0.1745(2) 0.0325(9) Uani 1 1 d . . .
H27 H 0.1106 0.5596 0.1291 0.039 Uiso 1 1 calc R . .
C33 C 0.1065(4) 0.5088(4) 0.2555(2) 0.0403(10) Uani 1 1 d . . .
H28 H 0.0680 0.4554 0.2655 0.048 Uiso 1 1 calc R . .
C34 C 0.1391(4) 0.5259(4) 0.3207(2) 0.0378(10) Uani 1 1 d . . .
H29 H 0.1218 0.4844 0.3759 0.045 Uiso 1 1 calc R . .
C35 C 0.1952(4) 0.6010(4) 0.3076(2) 0.0391(10) Uani 1 1 d . . .
H30 H 0.2180 0.6105 0.3533 0.047 Uiso 1 1 calc R . .
C36 C 0.2193(4) 0.6636(3) 0.2275(2) 0.0323(9) Uani 1 1 d . . .
H31 H 0.2590 0.7158 0.2184 0.039 Uiso 1 1 calc R . .
P4 P 0.45687(9) 0.80335(8) -0.00713(6) 0.0231(2) Uani 1 1 d . . .
C37 C 0.5887(4) 0.7614(3) 0.0542(2) 0.0265(8) Uani 1 1 d . . .
C38 C 0.5739(4) 0.8364(4) 0.0983(2) 0.0377(10) Uani 1 1 d . . .
H32 H 0.4991 0.9080 0.0937 0.045 Uiso 1 1 calc R . .
C39 C 0.6688(5) 0.8062(4) 0.1492(3) 0.0467(12) Uani 1 1 d . . .
H33 H 0.6584 0.8577 0.1793 0.056 Uiso 1 1 calc R . .
C40 C 0.7766(4) 0.7039(4) 0.1566(2) 0.0400(10) Uani 1 1 d . . .
H34 H 0.8398 0.6834 0.1927 0.048 Uiso 1 1 calc R . .
C41 C 0.7938(4) 0.6306(4) 0.1119(3) 0.0427(11) Uani 1 1 d . . .
H35 H 0.8700 0.5604 0.1158 0.051 Uiso 1 1 calc R . .
C42 C 0.7000(4) 0.6587(4) 0.0611(3) 0.0366(10) Uani 1 1 d . . .
H36 H 0.7121 0.6071 0.0307 0.044 Uiso 1 1 calc R . .
C43 C 0.5051(4) 0.8455(3) -0.1153(2) 0.0243(8) Uani 1 1 d . . .
C44 C 0.6204(5) 0.8414(7) -0.1439(3) 0.101(3) Uani 1 1 d . . .
H37 H 0.6845 0.8120 -0.1060 0.121 Uiso 1 1 calc R . .
C45 C 0.6461(6) 0.8796(8) -0.2280(3) 0.127(4) Uani 1 1 d . . .
H38 H 0.7276 0.8772 -0.2469 0.153 Uiso 1 1 calc R . .
C46 C 0.5587(5) 0.9201(5) -0.2838(3) 0.0512(13) Uani 1 1 d . . .
H39 H 0.5783 0.9446 -0.3415 0.061 Uiso 1 1 calc R . .
C47 C 0.4438(5) 0.9250(4) -0.2563(3) 0.0465(12) Uani 1 1 d . . .
H40 H 0.3806 0.9548 -0.2949 0.056 Uiso 1 1 calc R . .
C48 C 0.4159(4) 0.8875(4) -0.1728(3) 0.0476(12) Uani 1 1 d . . .
H41 H 0.3339 0.8906 -0.1545 0.057 Uiso 1 1 calc R . .
O3 O 0.1742(2) 0.8652(2) 0.06477(15) 0.0293(6) Uani 1 1 d . . .
O4 O 0.3508(3) 0.9162(2) 0.00898(16) 0.0330(6) Uani 1 1 d . . .
H42 H 0.2847 0.9050 0.0250 0.069(18) Uiso 1 1 calc R . .


_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
Pd1 P2 2.2490(9) . ?
Pd1 P1 2.2543(10) . ?
Pd1 Cl1 2.4200(9) . ?
Pd1 Cl1 2.4286(9) 2_676 ?
P1 O1 1.542(3) . ?
P1 C1 1.798(4) . ?
P1 C7 1.818(4) . ?
C1 C6 1.370(5) . ?
C1 C2 1.404(5) . ?
C2 C3 1.389(5) . ?
C2 H1 0.9500 . ?
C3 C4 1.384(6) . ?
C3 H2 0.9500 . ?
C4 C5 1.363(6) . ?
C4 H3 0.9500 . ?
C5 C6 1.392(6) . ?
C5 H4 0.9500 . ?
C6 H5 0.9500 . ?
C7 C12 1.388(5) . ?
C7 C8 1.391(5) . ?
C8 C9 1.389(6) . ?
C8 H6 0.9500 . ?
C9 C10 1.374(6) . ?
C9 H7 0.9500 . ?
C10 C11 1.377(6) . ?
C10 H8 0.9500 . ?
C11 C12 1.369(5) . ?
C11 H9 0.9500 . ?
C12 H10 0.9500 . ?
P2 O2 1.539(2) . ?
P2 C13 1.814(3) . ?
P2 C19 1.818(3) . ?
C13 C14 1.388(5) . ?
C13 C18 1.390(5) . ?
C14 C15 1.390(5) . ?
C14 H11 0.9500 . ?
C15 C16 1.377(6) . ?
C15 H12 0.9500 . ?
C16 C17 1.367(6) . ?
C16 H13 0.9500 . ?
C17 C18 1.392(5) . ?
C17 H14 0.9500 . ?
C18 H15 0.9500 . ?
C19 C20 1.380(5) . ?
C19 C24 1.393(5) . ?
C20 C21 1.401(5) . ?
C20 H16 0.9500 . ?
C21 C22 1.373(6) . ?
C21 H17 0.9500 . ?
C22 C23 1.376(5) . ?
C22 H18 0.9500 . ?
C23 C24 1.383(5) . ?
C23 H19 0.9500 . ?
C24 H20 0.9500 . ?
O1 H21 0.8400 . ?
Pd2 P3 2.2390(10) . ?
Pd2 P4 2.2434(10) . ?
Pd2 Cl2 2.4277(9) 2_665 ?
Pd2 Cl2 2.4314(9) . ?
Cl1 Pd1 2.4286(9) 2_676 ?
Cl2 Pd2 2.4277(9) 2_665 ?
P3 O3 1.552(3) . ?
P3 C31 1.804(4) . ?
P3 C25 1.817(4) . ?
C25 C26 1.387(5) . ?
C25 C30 1.396(5) . ?
C26 C27 1.389(5) . ?
C26 H22 0.9500 . ?
C27 C28 1.374(6) . ?
C27 H23 0.9500 . ?
C28 C29 1.385(6) . ?
C28 H24 0.9500 . ?
C29 C30 1.389(5) . ?
C29 H25 0.9500 . ?
C30 H26 0.9500 . ?
C31 C32 1.379(5) . ?
C31 C36 1.395(5) . ?
C32 C33 1.400(5) . ?
C32 H27 0.9500 . ?
C33 C34 1.382(6) . ?
C33 H28 0.9500 . ?
C34 C35 1.357(6) . ?
C34 H29 0.9500 . ?
C35 C36 1.386(5) . ?
C35 H30 0.9500 . ?
C36 H31 0.9500 . ?
P4 O4 1.535(3) . ?
P4 C43 1.809(4) . ?
P4 C37 1.822(4) . ?
C37 C42 1.387(5) . ?
C37 C38 1.390(5) . ?
C38 C39 1.389(6) . ?
C38 H32 0.9500 . ?
C39 C40 1.362(6) . ?
C39 H33 0.9500 . ?
C40 C41 1.371(6) . ?
C40 H34 0.9500 . ?
C41 C42 1.386(5) . ?
C41 H35 0.9500 . ?
C42 H36 0.9500 . ?
C43 C44 1.346(6) . ?
C43 C48 1.379(5) . ?
C44 C45 1.382(6) . ?
C44 H37 0.9500 . ?
C45 C46 1.345(7) . ?
C45 H38 0.9500 . ?
C46 C47 1.335(6) . ?
C46 H39 0.9500 . ?
C47 C48 1.378(6) . ?
C47 H40 0.9500 . ?
C48 H41 0.9500 . ?
O4 H42 0.8400 . ?

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
P2 Pd1 P1 92.53(4) . . ?
P2 Pd1 Cl1 93.85(3) . . ?
P1 Pd1 Cl1 171.95(3) . . ?
P2 Pd1 Cl1 177.10(3) . 2_676 ?
P1 Pd1 Cl1 89.85(3) . 2_676 ?
Cl1 Pd1 Cl1 83.93(3) . 2_676 ?
O1 P1 C1 108.90(16) . . ?
O1 P1 C7 105.75(16) . . ?
C1 P1 C7 106.44(17) . . ?
O1 P1 Pd1 118.28(11) . . ?
C1 P1 Pd1 111.25(13) . . ?
C7 P1 Pd1 105.40(12) . . ?
C6 C1 C2 119.1(3) . . ?
C6 C1 P1 121.5(3) . . ?
C2 C1 P1 119.4(3) . . ?
C3 C2 C1 119.4(4) . . ?
C3 C2 H1 120.3 . . ?
C1 C2 H1 120.3 . . ?
C4 C3 C2 120.1(4) . . ?
C4 C3 H2 119.9 . . ?
C2 C3 H2 119.9 . . ?
C5 C4 C3 120.6(4) . . ?
C5 C4 H3 119.7 . . ?
C3 C4 H3 119.7 . . ?
C4 C5 C6 119.5(4) . . ?
C4 C5 H4 120.2 . . ?
C6 C5 H4 120.2 . . ?
C1 C6 C5 121.3(4) . . ?
C1 C6 H5 119.4 . . ?
C5 C6 H5 119.4 . . ?
C12 C7 C8 118.8(4) . . ?
C12 C7 P1 123.4(3) . . ?
C8 C7 P1 117.7(3) . . ?
C9 C8 C7 119.5(4) . . ?
C9 C8 H6 120.2 . . ?
C7 C8 H6 120.2 . . ?
C10 C9 C8 120.7(4) . . ?
C10 C9 H7 119.7 . . ?
C8 C9 H7 119.7 . . ?
C9 C10 C11 119.8(4) . . ?
C9 C10 H8 120.1 . . ?
C11 C10 H8 120.1 . . ?
C12 C11 C10 120.1(4) . . ?
C12 C11 H9 120.0 . . ?
C10 C11 H9 120.0 . . ?
C11 C12 C7 121.1(4) . . ?
C11 C12 H10 119.5 . . ?
C7 C12 H10 119.5 . . ?
O2 P2 C13 105.55(15) . . ?
O2 P2 C19 106.19(15) . . ?
C13 P2 C19 103.94(16) . . ?
O2 P2 Pd1 116.94(10) . . ?
C13 P2 Pd1 109.79(11) . . ?
C19 P2 Pd1 113.37(12) . . ?
C14 C13 C18 119.4(3) . . ?
C14 C13 P2 123.0(3) . . ?
C18 C13 P2 117.6(3) . . ?
C13 C14 C15 120.0(3) . . ?
C13 C14 H11 120.0 . . ?
C15 C14 H11 120.0 . . ?
C16 C15 C14 120.2(4) . . ?
C16 C15 H12 119.9 . . ?
C14 C15 H12 119.9 . . ?
C17 C16 C15 120.1(4) . . ?
C17 C16 H13 119.9 . . ?
C15 C16 H13 119.9 . . ?
C16 C17 C18 120.5(4) . . ?
C16 C17 H14 119.8 . . ?
C18 C17 H14 119.8 . . ?
C13 C18 C17 119.8(4) . . ?
C13 C18 H15 120.1 . . ?
C17 C18 H15 120.1 . . ?
C20 C19 C24 118.8(3) . . ?
C20 C19 P2 124.5(3) . . ?
C24 C19 P2 116.6(3) . . ?
C19 C20 C21 120.0(4) . . ?
C19 C20 H16 120.0 . . ?
C21 C20 H16 120.0 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H17 119.8 . . ?
C20 C21 H17 119.8 . . ?
C21 C22 C23 120.1(4) . . ?
C21 C22 H18 120.0 . . ?
C23 C22 H18 120.0 . . ?
C22 C23 C24 119.8(4) . . ?
C22 C23 H19 120.1 . . ?
C24 C23 H19 120.1 . . ?
C23 C24 C19 121.0(4) . . ?
C23 C24 H20 119.5 . . ?
C19 C24 H20 119.5 . . ?
P1 O1 H21 109.5 . . ?
P3 Pd2 P4 91.82(4) . . ?
P3 Pd2 Cl2 168.18(3) . 2_665 ?
P4 Pd2 Cl2 93.69(3) . 2_665 ?
P3 Pd2 Cl2 90.96(3) . . ?
P4 Pd2 Cl2 175.02(3) . . ?
Cl2 Pd2 Cl2 84.34(3) 2_665 . ?
Pd1 Cl1 Pd1 96.07(3) . 2_676 ?
Pd2 Cl2 Pd2 95.67(3) 2_665 . ?
O3 P3 C31 105.17(15) . . ?
O3 P3 C25 106.86(15) . . ?
C31 P3 C25 107.16(16) . . ?
O3 P3 Pd2 118.76(11) . . ?
C31 P3 Pd2 110.11(12) . . ?
C25 P3 Pd2 108.21(12) . . ?
C26 C25 C30 119.6(3) . . ?
C26 C25 P3 122.5(3) . . ?
C30 C25 P3 117.8(3) . . ?
C25 C26 C27 119.8(4) . . ?
C25 C26 H22 120.1 . . ?
C27 C26 H22 120.1 . . ?
C28 C27 C26 120.3(4) . . ?
C28 C27 H23 119.8 . . ?
C26 C27 H23 119.8 . . ?
C27 C28 C29 120.5(4) . . ?
C27 C28 H24 119.7 . . ?
C29 C28 H24 119.7 . . ?
C28 C29 C30 119.6(4) . . ?
C28 C29 H25 120.2 . . ?
C30 C29 H25 120.2 . . ?
C29 C30 C25 120.1(4) . . ?
C29 C30 H26 120.0 . . ?
C25 C30 H26 120.0 . . ?
C32 C31 C36 119.3(3) . . ?
C32 C31 P3 123.9(3) . . ?
C36 C31 P3 116.8(3) . . ?
C31 C32 C33 120.4(4) . . ?
C31 C32 H27 119.8 . . ?
C33 C32 H27 119.8 . . ?
C34 C33 C32 118.8(4) . . ?
C34 C33 H28 120.6 . . ?
C32 C33 H28 120.6 . . ?
C35 C34 C33 121.3(4) . . ?
C35 C34 H29 119.3 . . ?
C33 C34 H29 119.3 . . ?
C34 C35 C36 120.0(4) . . ?
C34 C35 H30 120.0 . . ?
C36 C35 H30 120.0 . . ?
C35 C36 C31 120.1(4) . . ?
C35 C36 H31 120.0 . . ?
C31 C36 H31 120.0 . . ?
O4 P4 C43 107.20(16) . . ?
O4 P4 C37 106.43(16) . . ?
C43 P4 C37 107.94(17) . . ?
O4 P4 Pd2 118.70(12) . . ?
C43 P4 Pd2 106.51(12) . . ?
C37 P4 Pd2 109.65(12) . . ?
C42 C37 C38 118.7(4) . . ?
C42 C37 P4 124.2(3) . . ?
C38 C37 P4 117.1(3) . . ?
C37 C38 C39 119.7(4) . . ?
C37 C38 H32 120.1 . . ?
C39 C38 H32 120.1 . . ?
C40 C39 C38 121.0(4) . . ?
C40 C39 H33 119.5 . . ?
C38 C39 H33 119.5 . . ?
C39 C40 C41 119.9(4) . . ?
C39 C40 H34 120.0 . . ?
C41 C40 H34 120.0 . . ?
C40 C41 C42 120.1(4) . . ?
C40 C41 H35 120.0 . . ?
C42 C41 H35 120.0 . . ?
C41 C42 C37 120.6(4) . . ?
C41 C42 H36 119.7 . . ?
C37 C42 H36 119.7 . . ?
C44 C43 C48 117.5(4) . . ?
C44 C43 P4 125.2(3) . . ?
C48 C43 P4 117.3(3) . . ?
C43 C44 C45 120.5(4) . . ?
C43 C44 H37 119.8 . . ?
C45 C44 H37 119.8 . . ?
C46 C45 C44 121.7(5) . . ?
C46 C45 H38 119.1 . . ?
C44 C45 H38 119.1 . . ?
C47 C46 C45 118.5(4) . . ?
C47 C46 H39 120.8 . . ?
C45 C46 H39 120.8 . . ?
C46 C47 C48 120.9(4) . . ?
C46 C47 H40 119.6 . . ?
C48 C47 H40 119.6 . . ?
C43 C48 C47 120.9(4) . . ?
C43 C48 H41 119.5 . . ?
C47 C48 H41 119.5 . . ?
P4 O4 H42 109.5 . . ?

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
P2 Pd1 P1 O1 -9.86(12) . . . . ?
Cl1 Pd1 P1 O1 132.6(2) . . . . ?
Cl1 Pd1 P1 O1 171.81(12) 2_676 . . . ?
P2 Pd1 P1 C1 117.28(13) . . . . ?
Cl1 Pd1 P1 C1 -100.3(3) . . . . ?
Cl1 Pd1 P1 C1 -61.05(13) 2_676 . . . ?
P2 Pd1 P1 C7 -127.76(13) . . . . ?
Cl1 Pd1 P1 C7 14.7(3) . . . . ?
Cl1 Pd1 P1 C7 53.91(13) 2_676 . . . ?
O1 P1 C1 C6 121.8(3) . . . . ?
C7 P1 C1 C6 -124.6(3) . . . . ?
Pd1 P1 C1 C6 -10.3(4) . . . . ?
O1 P1 C1 C2 -55.3(3) . . . . ?
C7 P1 C1 C2 58.3(3) . . . . ?
Pd1 P1 C1 C2 172.6(3) . . . . ?
C6 C1 C2 C3 0.6(6) . . . . ?
P1 C1 C2 C3 177.8(3) . . . . ?
C1 C2 C3 C4 -0.1(6) . . . . ?
C2 C3 C4 C5 -0.4(7) . . . . ?
C3 C4 C5 C6 0.3(7) . . . . ?
C2 C1 C6 C5 -0.7(6) . . . . ?
P1 C1 C6 C5 -177.8(3) . . . . ?
C4 C5 C6 C1 0.2(7) . . . . ?
O1 P1 C7 C12 136.8(3) . . . . ?
C1 P1 C7 C12 21.0(4) . . . . ?
Pd1 P1 C7 C12 -97.2(3) . . . . ?
O1 P1 C7 C8 -46.3(4) . . . . ?
C1 P1 C7 C8 -162.0(3) . . . . ?
Pd1 P1 C7 C8 79.7(3) . . . . ?
C12 C7 C8 C9 -0.5(6) . . . . ?
P1 C7 C8 C9 -177.6(4) . . . . ?
C7 C8 C9 C10 -0.2(8) . . . . ?
C8 C9 C10 C11 0.8(8) . . . . ?
C9 C10 C11 C12 -0.9(7) . . . . ?
C10 C11 C12 C7 0.2(7) . . . . ?
C8 C7 C12 C11 0.4(6) . . . . ?
P1 C7 C12 C11 177.4(3) . . . . ?
P1 Pd1 P2 O2 4.00(11) . . . . ?
Cl1 Pd1 P2 O2 -171.09(11) . . . . ?
Cl1 Pd1 P2 O2 148.9(6) 2_676 . . . ?
P1 Pd1 P2 C13 124.17(13) . . . . ?
Cl1 Pd1 P2 C13 -50.92(13) . . . . ?
Cl1 Pd1 P2 C13 -90.9(7) 2_676 . . . ?
P1 Pd1 P2 C19 -120.08(13) . . . . ?
Cl1 Pd1 P2 C19 64.82(13) . . . . ?
Cl1 Pd1 P2 C19 24.8(7) 2_676 . . . ?
O2 P2 C13 C14 -154.2(3) . . . . ?
C19 P2 C13 C14 -42.7(3) . . . . ?
Pd1 P2 C13 C14 78.9(3) . . . . ?
O2 P2 C13 C18 26.3(3) . . . . ?
C19 P2 C13 C18 137.8(3) . . . . ?
Pd1 P2 C13 C18 -100.6(3) . . . . ?
C18 C13 C14 C15 1.1(5) . . . . ?
P2 C13 C14 C15 -178.4(3) . . . . ?
C13 C14 C15 C16 -2.0(6) . . . . ?
C14 C15 C16 C17 1.4(6) . . . . ?
C15 C16 C17 C18 0.2(6) . . . . ?
C14 C13 C18 C17 0.5(5) . . . . ?
P2 C13 C18 C17 -180.0(3) . . . . ?
C16 C17 C18 C13 -1.2(6) . . . . ?
O2 P2 C19 C20 -158.3(3) . . . . ?
C13 P2 C19 C20 90.6(4) . . . . ?
Pd1 P2 C19 C20 -28.6(4) . . . . ?
O2 P2 C19 C24 25.2(3) . . . . ?
C13 P2 C19 C24 -85.9(3) . . . . ?
Pd1 P2 C19 C24 154.9(2) . . . . ?
C24 C19 C20 C21 1.2(6) . . . . ?
P2 C19 C20 C21 -175.2(3) . . . . ?
C19 C20 C21 C22 -1.4(7) . . . . ?
C20 C21 C22 C23 0.5(7) . . . . ?
C21 C22 C23 C24 0.6(7) . . . . ?
C22 C23 C24 C19 -0.8(6) . . . . ?
C20 C19 C24 C23 -0.1(6) . . . . ?
P2 C19 C24 C23 176.6(3) . . . . ?
P2 Pd1 Cl1 Pd1 -178.12(3) . . . 2_676 ?
P1 Pd1 Cl1 Pd1 39.5(2) . . . 2_676 ?
Cl1 Pd1 Cl1 Pd1 0.0 2_676 . . 2_676 ?
P3 Pd2 Cl2 Pd2 169.13(3) . . . 2_665 ?
P4 Pd2 Cl2 Pd2 -66.9(4) . . . 2_665 ?
Cl2 Pd2 Cl2 Pd2 0.0 2_665 . . 2_665 ?
P4 Pd2 P3 O3 -4.26(12) . . . . ?
Cl2 Pd2 P3 O3 -122.06(18) 2_665 . . . ?
Cl2 Pd2 P3 O3 171.61(12) . . . . ?
P4 Pd2 P3 C31 -125.51(13) . . . . ?
Cl2 Pd2 P3 C31 116.7(2) 2_665 . . . ?
Cl2 Pd2 P3 C31 50.36(13) . . . . ?
P4 Pd2 P3 C25 117.67(12) . . . . ?
Cl2 Pd2 P3 C25 -0.1(2) 2_665 . . . ?
Cl2 Pd2 P3 C25 -66.46(12) . . . . ?
O3 P3 C25 C26 136.7(3) . . . . ?
C31 P3 C25 C26 -111.0(3) . . . . ?
Pd2 P3 C25 C26 7.7(3) . . . . ?
O3 P3 C25 C30 -39.6(3) . . . . ?
C31 P3 C25 C30 72.7(3) . . . . ?
Pd2 P3 C25 C30 -168.6(3) . . . . ?
C30 C25 C26 C27 -1.9(6) . . . . ?
P3 C25 C26 C27 -178.2(3) . . . . ?
C25 C26 C27 C28 0.6(7) . . . . ?
C26 C27 C28 C29 0.4(7) . . . . ?
C27 C28 C29 C30 -0.1(6) . . . . ?
C28 C29 C30 C25 -1.3(6) . . . . ?
C26 C25 C30 C29 2.3(6) . . . . ?
P3 C25 C30 C29 178.8(3) . . . . ?
O3 P3 C31 C32 136.5(3) . . . . ?
C25 P3 C31 C32 23.0(4) . . . . ?
Pd2 P3 C31 C32 -94.5(3) . . . . ?
O3 P3 C31 C36 -44.2(3) . . . . ?
C25 P3 C31 C36 -157.7(3) . . . . ?
Pd2 P3 C31 C36 84.9(3) . . . . ?
C36 C31 C32 C33 2.3(6) . . . . ?
P3 C31 C32 C33 -178.3(3) . . . . ?
C31 C32 C33 C34 -1.0(6) . . . . ?
C32 C33 C34 C35 -0.6(6) . . . . ?
C33 C34 C35 C36 1.0(7) . . . . ?
C34 C35 C36 C31 0.4(6) . . . . ?
C32 C31 C36 C35 -2.0(6) . . . . ?
P3 C31 C36 C35 178.6(3) . . . . ?
P3 Pd2 P4 O4 -0.51(12) . . . . ?
Cl2 Pd2 P4 O4 169.03(12) 2_665 . . . ?
Cl2 Pd2 P4 O4 -124.5(4) . . . . ?
P3 Pd2 P4 C43 -121.43(13) . . . . ?
Cl2 Pd2 P4 C43 48.11(13) 2_665 . . . ?
Cl2 Pd2 P4 C43 114.6(4) . . . . ?
P3 Pd2 P4 C37 122.03(13) . . . . ?
Cl2 Pd2 P4 C37 -68.44(13) 2_665 . . . ?
Cl2 Pd2 P4 C37 -1.9(4) . . . . ?
O4 P4 C37 C42 175.3(3) . . . . ?
C43 P4 C37 C42 -69.9(4) . . . . ?
Pd2 P4 C37 C42 45.7(4) . . . . ?
O4 P4 C37 C38 -2.9(3) . . . . ?
C43 P4 C37 C38 111.9(3) . . . . ?
Pd2 P4 C37 C38 -132.4(3) . . . . ?
C42 C37 C38 C39 -1.2(6) . . . . ?
P4 C37 C38 C39 177.1(3) . . . . ?
C37 C38 C39 C40 0.0(7) . . . . ?
C38 C39 C40 C41 1.6(7) . . . . ?
C39 C40 C41 C42 -1.8(7) . . . . ?
C40 C41 C42 C37 0.6(7) . . . . ?
C38 C37 C42 C41 0.9(6) . . . . ?
P4 C37 C42 C41 -177.2(3) . . . . ?
O4 P4 C43 C44 116.7(5) . . . . ?
C37 P4 C43 C44 2.4(6) . . . . ?
Pd2 P4 C43 C44 -115.3(5) . . . . ?
O4 P4 C43 C48 -61.9(4) . . . . ?
C37 P4 C43 C48 -176.2(3) . . . . ?
Pd2 P4 C43 C48 66.1(3) . . . . ?
C48 C43 C44 C45 0.8(10) . . . . ?
P4 C43 C44 C45 -177.8(6) . . . . ?
C43 C44 C45 C46 -1.0(13) . . . . ?
C44 C45 C46 C47 1.2(12) . . . . ?
C45 C46 C47 C48 -1.2(9) . . . . ?
C44 C43 C48 C47 -0.8(8) . . . . ?
P4 C43 C48 C47 177.9(4) . . . . ?
C46 C47 C48 C43 1.0(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.961
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.961
_refine_diff_density_max         1.190
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.101
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: chloroform/hexane'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex_5
_database_code_depnum_ccdc_archive 'CCDC 1902847'
loop_
_audit_author_name
_audit_author_address
'Yasuyuki Ura'
;Nara Women's University
Japan
;
_audit_update_record             
;
2019-03-13 deposited with the CCDC.	2020-09-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H44 Cl2 O2 P2 Pd2'
_chemical_formula_sum            'C42 H44 Cl2 O2.67 P2 Pd2'
_chemical_formula_weight         937.13

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.050(4)
_cell_length_b                   13.715(5)
_cell_length_c                   23.780(8)
_cell_angle_alpha                78.415(7)
_cell_angle_beta                 81.104(7)
_cell_angle_gamma                86.079(7)
_cell_volume                     3170(2)
_cell_formula_units_Z            3
_cell_measurement_temperature    163(2)
_cell_measurement_reflns_used    6834
_cell_measurement_theta_min      2.9
_cell_measurement_theta_max      30.7

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1420
_exptl_absorpt_coefficient_mu    1.088
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.9085
_exptl_absorpt_correction_T_max  0.9578
_exptl_absorpt_process_details   DTABSCOR

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      163(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31106
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.90
_diffrn_reflns_theta_max         27.50
_reflns_number_total             14267
_reflns_number_gt                9848
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Mercury 3.10.1'
_computing_publication_material  'Mercury 3.10.1'

_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)+(0.0915P)²+4.8307P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14267
_refine_ls_number_parameters     674
_refine_ls_number_restraints     76
_refine_ls_R_factor_all          0.0894
_refine_ls_R_factor_gt           0.0591
_refine_ls_wR_factor_ref         0.1888
_refine_ls_wR_factor_gt          0.1521
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.001
_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
Pd1 Pd 0.94647(4) 0.46204(3) 0.172262(18) 0.03611(13) Uani 1 1 d . . .
Pd2 Pd 1.11799(4) 0.69104(3) 0.113370(19) 0.03740(13) Uani 1 1 d . . .
Cl1 Cl 0.91016(15) 0.63741(11) 0.17548(7) 0.0479(4) Uani 1 1 d . . .
Cl2 Cl 1.17211(14) 0.51196(11) 0.12381(7) 0.0438(3) Uani 1 1 d . . .
C1 C 0.7558(5) 0.4333(5) 0.2177(3) 0.0410(13) Uani 1 1 d . . .
H1 H 0.6901 0.4859 0.2032 0.049 Uiso 1 1 calc R . .
H2 H 0.7268 0.3684 0.2126 0.049 Uiso 1 1 calc R . .
C2 C 0.7618(6) 0.4311(5) 0.2796(3) 0.0460(14) Uani 1 1 d . . .
C3 C 0.7921(7) 0.3432(5) 0.3159(3) 0.0517(16) Uani 1 1 d . . .
H3 H 0.8117 0.2841 0.3006 0.062 Uiso 1 1 calc R . .
C4 C 0.7944(8) 0.3399(6) 0.3739(3) 0.0606(18) Uani 1 1 d . . .
H4 H 0.8130 0.2782 0.3983 0.073 Uiso 1 1 calc R . .
C5 C 0.7706(7) 0.4237(7) 0.3969(3) 0.065(2) Uani 1 1 d . . .
H5 H 0.7737 0.4208 0.4369 0.078 Uiso 1 1 calc R . .
C6 C 0.7416(7) 0.5136(6) 0.3612(3) 0.0610(19) Uani 1 1 d . . .
H6 H 0.7238 0.5726 0.3767 0.073 Uiso 1 1 calc R . .
C7 C 0.7388(6) 0.5166(5) 0.3034(3) 0.0490(15) Uani 1 1 d . . .
H7 H 0.7207 0.5784 0.2791 0.059 Uiso 1 1 calc R . .
C8 C 1.0660(7) 0.8377(5) 0.1213(3) 0.0491(15) Uani 1 1 d . . .
H8 H 1.0912 0.8829 0.0836 0.059 Uiso 1 1 calc R . .
H9 H 0.9674 0.8453 0.1328 0.059 Uiso 1 1 calc R . .
C9 C 1.1371(7) 0.8635(5) 0.1655(3) 0.0554(17) Uani 1 1 d . . .
C10 C 1.1067(9) 0.8185(7) 0.2242(4) 0.078(2) Uani 1 1 d . . .
H10 H 1.0415 0.7687 0.2361 0.094 Uiso 1 1 calc R . .
C11 C 1.1732(12) 0.8478(10) 0.2646(5) 0.104(4) Uani 1 1 d . . .
H11 H 1.1538 0.8167 0.3043 0.125 Uiso 1 1 calc R . .
C12 C 1.2650(12) 0.9195(10) 0.2490(6) 0.107(4) Uani 1 1 d . . .
H12 H 1.3071 0.9397 0.2777 0.128 Uiso 1 1 calc R . .
C13 C 1.2971(10) 0.9631(8) 0.1920(6) 0.099(4) Uani 1 1 d . . .
H13 H 1.3633 1.0122 0.1808 0.118 Uiso 1 1 calc R . .
C14 C 1.2314(8) 0.9348(6) 0.1495(4) 0.073(2) Uani 1 1 d . . .
H14 H 1.2529 0.9656 0.1099 0.088 Uiso 1 1 calc R . .
C15 C 0.8642(7) 0.2128(5) 0.1851(3) 0.0467(14) Uani 1 1 d . . .
C16 C 0.8859(11) 0.1220(6) 0.2246(4) 0.083(3) Uani 1 1 d . . .
H15 H 0.9679 0.1092 0.2405 0.100 Uiso 1 1 calc R . .
C17 C 0.7885(15) 0.0542(7) 0.2393(4) 0.108(4) Uani 1 1 d . . .
H16 H 0.8024 -0.0060 0.2659 0.129 Uiso 1 1 calc R . .
C18 C 0.6686(13) 0.0713(8) 0.2160(5) 0.106(4) Uani 1 1 d . . .
H17 H 0.6003 0.0238 0.2275 0.127 Uiso 1 1 calc R . .
C19 C 0.6486(8) 0.1556(6) 0.1770(4) 0.070(2) Uani 1 1 d . . .
H18 H 0.5664 0.1662 0.1612 0.084 Uiso 1 1 calc R . .
C20 C 0.7476(6) 0.2277(5) 0.1594(3) 0.0474(14) Uani 1 1 d . . .
H19 H 0.7349 0.2851 0.1306 0.057 Uiso 1 1 calc R . .
C21 C 1.0633(6) 0.2866(5) 0.0928(3) 0.0443(14) Uani 1 1 d . . .
C22 C 1.0447(6) 0.3585(5) 0.0444(3) 0.0439(14) Uani 1 1 d . . .
H20 H 0.9965 0.4189 0.0494 0.053 Uiso 1 1 calc R . .
C23 C 1.0953(6) 0.3444(5) -0.0117(3) 0.0507(15) Uani 1 1 d . . .
H21 H 1.0820 0.3946 -0.0445 0.061 Uiso 1 1 calc R . .
C24 C 1.1654(7) 0.2555(6) -0.0187(3) 0.0577(18) Uani 1 1 d . . .
H22 H 1.2005 0.2446 -0.0565 0.069 Uiso 1 1 calc R . .
C25 C 1.1841(6) 0.1825(6) 0.0295(4) 0.0586(18) Uani 1 1 d . . .
H23 H 1.2315 0.1218 0.0246 0.070 Uiso 1 1 calc R . .
C26 C 1.1340(6) 0.1980(5) 0.0847(3) 0.0502(15) Uani 1 1 d . . .
H24 H 1.1477 0.1478 0.1174 0.060 Uiso 1 1 calc R . .
C27 C 1.3695(5) 0.6677(5) 0.0003(3) 0.0420(13) Uani 1 1 d . . .
C28 C 1.5000(6) 0.6862(5) -0.0288(3) 0.0572(18) Uani 1 1 d . . .
H25 H 1.5504 0.7350 -0.0191 0.069 Uiso 1 1 calc R . .
C29 C 1.5559(7) 0.6351(6) -0.0709(4) 0.068(2) Uani 1 1 d . . .
H26 H 1.6447 0.6483 -0.0903 0.082 Uiso 1 1 calc R . .
C30 C 1.4837(7) 0.5650(6) -0.0852(3) 0.0619(19) Uani 1 1 d . . .
H27 H 1.5227 0.5293 -0.1144 0.074 Uiso 1 1 calc R . .
C31 C 1.3547(7) 0.5457(5) -0.0574(3) 0.0513(15) Uani 1 1 d . . .
H28 H 1.3051 0.4967 -0.0674 0.062 Uiso 1 1 calc R . .
C32 C 1.2976(6) 0.5975(5) -0.0151(3) 0.0477(15) Uani 1 1 d . . .
H29 H 1.2082 0.5848 0.0036 0.057 Uiso 1 1 calc R . .
C33 C 1.2728(6) 0.8602(4) -0.0004(3) 0.0434(14) Uani 1 1 d . . .
C34 C 1.1595(7) 0.8746(5) -0.0286(3) 0.0527(16) Uani 1 1 d . . .
H30 H 1.0906 0.8275 -0.0184 0.063 Uiso 1 1 calc R . .
C35 C 1.1473(7) 0.9593(5) -0.0723(3) 0.0534(17) Uani 1 1 d . . .
H31 H 1.0656 0.9729 -0.0884 0.064 Uiso 1 1 calc R . .
C36 C 1.2543(7) 1.0238(5) -0.0924(3) 0.0583(17) Uani 1 1 d . . .
H32 H 1.2469 1.0778 -0.1240 0.070 Uiso 1 1 calc R . .
C37 C 1.3709(7) 1.0096(5) -0.0668(3) 0.0548(16) Uani 1 1 d . . .
H33 H 1.4411 1.0554 -0.0794 0.066 Uiso 1 1 calc R . .
C38 C 1.3844(7) 0.9270(5) -0.0218(3) 0.0528(16) Uani 1 1 d . . .
H34 H 1.4658 0.9147 -0.0054 0.063 Uiso 1 1 calc R . .
P1 P 0.99231(17) 0.30392(12) 0.16491(7) 0.0419(3) Uani 1 1 d . . .
P2 P 1.29300(14) 0.74831(11) 0.04991(7) 0.0391(3) Uani 1 1 d . . .
O1 O 1.1119(6) 0.2522(4) 0.2004(3) 0.0795(18) Uani 1 1 d . . .
O2 O 1.4201(4) 0.7744(4) 0.0787(2) 0.0559(12) Uani 1 1 d . . .
C39 C 1.1636(11) 0.2872(7) 0.2416(5) 0.091(3) Uani 1 1 d . . .
H35 H 1.0942 0.2816 0.2763 0.109 Uiso 1 1 calc R . .
H36 H 1.1786 0.3591 0.2271 0.109 Uiso 1 1 calc R . .
C40 C 1.2827(13) 0.2427(14) 0.2591(6) 0.182(9) Uani 1 1 d . . .
H37 H 1.2627 0.1810 0.2873 0.272 Uiso 1 1 calc R . .
H38 H 1.3258 0.2883 0.2770 0.272 Uiso 1 1 calc R . .
H39 H 1.3435 0.2275 0.2253 0.272 Uiso 1 1 calc R . .
C41 C 1.4654(10) 0.7021(8) 0.1246(4) 0.100(4) Uani 1 1 d . . .
H40 H 1.3855 0.6726 0.1505 0.120 Uiso 1 1 calc R . .
H41 H 1.5164 0.6481 0.1076 0.120 Uiso 1 1 calc R . .
C42 C 1.5471(10) 0.7382(7) 0.1582(4) 0.084(3) Uani 1 1 d . . .
H42 H 1.5990 0.7933 0.1341 0.126 Uiso 1 1 calc R . .
H43 H 1.6090 0.6846 0.1735 0.126 Uiso 1 1 calc R . .
H44 H 1.4902 0.7618 0.1905 0.126 Uiso 1 1 calc R . .
Pd3 Pd 0.44970(4) 0.38135(4) 0.491376(19) 0.04059(13) Uani 1 1 d . . .
Cl3 Cl 0.39531(15) 0.55776(12) 0.45656(7) 0.0469(3) Uani 1 1 d . . .
C43 C 0.4943(7) 0.2368(5) 0.5304(3) 0.0564(17) Uani 1 1 d . . .
H45 H 0.4585 0.1890 0.5108 0.068 Uiso 1 1 calc R . .
H46 H 0.5930 0.2247 0.5283 0.068 Uiso 1 1 calc R . .
C44 C 0.4294(7) 0.2250(5) 0.5916(3) 0.0547(16) Uani 1 1 d . . .
C45 C 0.2957(9) 0.1979(6) 0.6067(4) 0.071(2) Uani 1 1 d . . .
H47 H 0.2470 0.1852 0.5779 0.086 Uiso 1 1 calc R . .
C46 C 0.2327(11) 0.1892(7) 0.6642(4) 0.086(3) Uani 1 1 d . . .
H48 H 0.1402 0.1739 0.6743 0.103 Uiso 1 1 calc R . .
C47 C 0.3067(12) 0.2033(7) 0.7060(4) 0.086(3) Uani 1 1 d . . .
H49 H 0.2648 0.1960 0.7452 0.103 Uiso 1 1 calc R . .
C48 C 0.4368(11) 0.2270(6) 0.6924(4) 0.074(2) Uani 1 1 d . . .
H50 H 0.4859 0.2367 0.7218 0.089 Uiso 1 1 calc R . .
C49 C 0.4993(9) 0.2373(6) 0.6353(3) 0.067(2) Uani 1 1 d . . .
H51 H 0.5916 0.2532 0.6261 0.081 Uiso 1 1 calc R . .
C50 C 0.2776(6) 0.4131(4) 0.3777(2) 0.0395(12) Uani 1 1 d . A .
C51 C 0.3832(7) 0.4604(6) 0.3410(3) 0.0602(19) Uani 1 1 d . . .
H52 H 0.4721 0.4487 0.3505 0.072 Uiso 1 1 calc R . .
C52 C 0.3612(8) 0.5243(7) 0.2908(3) 0.072(2) Uani 1 1 d . . .
H53 H 0.4348 0.5572 0.2661 0.086 Uiso 1 1 calc R . .
C53 C 0.2324(9) 0.5414(6) 0.2758(3) 0.069(2) Uani 1 1 d . . .
H54 H 0.2184 0.5846 0.2404 0.083 Uiso 1 1 calc R . .
C54 C 0.1256(8) 0.4957(6) 0.3122(3) 0.0622(19) Uani 1 1 d . . .
H55 H 0.0369 0.5083 0.3027 0.075 Uiso 1 1 calc R . .
C55 C 0.1477(6) 0.4317(6) 0.3624(3) 0.0530(16) Uani 1 1 d . . .
H56 H 0.0737 0.3995 0.3873 0.064 Uiso 1 1 calc R . .
C56 C 0.1463(18) 0.3091(13) 0.4827(8) 0.040(6) Uiso 0.416(9) 1 d PD A 2
C57 C 0.0654(13) 0.2293(11) 0.4798(6) 0.053(4) Uiso 0.416(9) 1 d PD A 2
H57 H 0.0963 0.1852 0.4541 0.063 Uiso 0.416(9) 1 calc PR A 2
C58 C -0.0603(15) 0.2161(12) 0.5151(6) 0.065(5) Uiso 0.416(9) 1 d PD A 2
H58 H -0.1146 0.1631 0.5132 0.077 Uiso 0.416(9) 1 calc PR A 2
C59 C -0.1049(18) 0.2806(12) 0.5528(7) 0.063(5) Uiso 0.416(9) 1 d PD A 2
H59 H -0.1892 0.2713 0.5772 0.075 Uiso 0.416(9) 1 calc PR A 2
C60 C -0.0242(17) 0.3606(15) 0.5548(9) 0.060(6) Uiso 0.416(9) 1 d PD A 2
H60 H -0.0574 0.4050 0.5802 0.072 Uiso 0.416(9) 1 calc PR A 2
C61 C 0.104(2) 0.377(2) 0.5206(10) 0.060(10) Uiso 0.416(9) 1 d PD A 2
H61 H 0.1577 0.4300 0.5228 0.072 Uiso 0.416(9) 1 calc PR A 2
C62 C 0.3558(15) 0.2197(12) 0.4149(7) 0.054(6) Uiso 0.584(9) 1 d PD A 1
C63 C 0.4804(15) 0.2178(12) 0.3794(6) 0.069(4) Uiso 0.584(9) 1 d PD A 1
H62 H 0.5329 0.2754 0.3696 0.083 Uiso 0.584(9) 1 calc PR A 1
C64 C 0.5291(19) 0.1313(12) 0.3580(8) 0.097(5) Uiso 0.584(9) 1 d PD A 1
H63 H 0.6131 0.1309 0.3335 0.116 Uiso 0.584(9) 1 calc PR A 1
C65 C 0.451(2) 0.0451(17) 0.3735(9) 0.130(8) Uiso 0.584(9) 1 d PD A 1
H64 H 0.4843 -0.0138 0.3598 0.157 Uiso 0.584(9) 1 calc PR A 1
C66 C 0.326(2) 0.0457(19) 0.4087(10) 0.168(11) Uiso 0.584(9) 1 d PD A 1
H65 H 0.2739 -0.0123 0.4194 0.201 Uiso 0.584(9) 1 calc PR A 1
C67 C 0.278(2) 0.1347(13) 0.4280(9) 0.117(7) Uiso 0.584(9) 1 d PD A 1
H66 H 0.1911 0.1369 0.4502 0.140 Uiso 0.584(9) 1 calc PR A 1
O3 O 0.3426(15) 0.2148(10) 0.4261(7) 0.050(5) Uiso 0.416(9) 1 d PD A 2
C68 C 0.4747(15) 0.1919(12) 0.3961(8) 0.040(4) Uiso 0.416(9) 1 d PD A 2
H67 H 0.4886 0.2374 0.3579 0.048 Uiso 0.416(9) 1 calc PR A 2
H68 H 0.5440 0.2054 0.4187 0.048 Uiso 0.416(9) 1 calc PR A 2
C69 C 0.495(2) 0.0922(14) 0.3873(9) 0.068(5) Uiso 0.416(9) 1 d PD A 2
H69 H 0.5852 0.0833 0.3663 0.102 Uiso 0.416(9) 1 calc PR A 2
H70 H 0.4273 0.0780 0.3647 0.102 Uiso 0.416(9) 1 calc PR A 2
H71 H 0.4855 0.0464 0.4250 0.102 Uiso 0.416(9) 1 calc PR A 2
O4 O 0.1646(11) 0.2986(9) 0.4803(5) 0.053(4) Uiso 0.584(9) 1 d PD A 1
C70 C 0.0936(17) 0.3641(15) 0.5179(8) 0.057(7) Uiso 0.584(9) 1 d PD A 1
H72 H 0.1505 0.3701 0.5474 0.068 Uiso 0.584(9) 1 calc PR A 1
H73 H 0.0815 0.4313 0.4941 0.068 Uiso 0.584(9) 1 calc PR A 1
C71 C -0.0367(17) 0.3298(15) 0.5470(8) 0.076(5) Uiso 0.584(9) 1 d PD A 1
H74 H -0.0788 0.3774 0.5708 0.115 Uiso 0.584(9) 1 calc PR A 1
H75 H -0.0254 0.2645 0.5720 0.115 Uiso 0.584(9) 1 calc PR A 1
H76 H -0.0942 0.3244 0.5182 0.115 Uiso 0.584(9) 1 calc PR A 1
P3 P 0.30968(15) 0.32637(12) 0.44315(7) 0.0407(3) Uani 1 1 d D . .
O5 O -0.089(2) 0.0482(15) 0.3964(9) 0.301(9) Uiso 1 1 d . . .


_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
Pd1 C1 2.071(5) . ?
Pd1 P1 2.2218(18) . ?
Pd1 Cl1 2.4227(18) . ?
Pd1 Cl2 2.4548(16) . ?
Pd2 C8 2.082(6) . ?
Pd2 P2 2.2090(16) . ?
Pd2 Cl1 2.4300(17) . ?
Pd2 Cl2 2.4502(17) . ?
C1 C2 1.476(8) . ?
C2 C3 1.381(9) . ?
C2 C7 1.392(9) . ?
C3 C4 1.374(10) . ?
C4 C5 1.361(11) . ?
C5 C6 1.390(11) . ?
C6 C7 1.370(10) . ?
C8 C9 1.468(9) . ?
C9 C14 1.366(10) . ?
C9 C10 1.405(12) . ?
C10 C11 1.386(13) . ?
C11 C12 1.352(16) . ?
C12 C13 1.366(16) . ?
C13 C14 1.415(13) . ?
C15 C20 1.388(9) . ?
C15 C16 1.428(10) . ?
C15 P1 1.800(6) . ?
C16 C17 1.354(14) . ?
C17 C18 1.389(16) . ?
C18 C19 1.353(13) . ?
C19 C20 1.408(9) . ?
C21 C22 1.384(9) . ?
C21 C26 1.398(9) . ?
C21 P1 1.808(7) . ?
C22 C23 1.399(9) . ?
C23 C24 1.393(10) . ?
C24 C25 1.390(11) . ?
C25 C26 1.383(10) . ?
C27 C32 1.378(9) . ?
C27 C28 1.399(8) . ?
C27 P2 1.825(7) . ?
C28 C29 1.365(11) . ?
C29 C30 1.367(11) . ?
C30 C31 1.378(9) . ?
C31 C32 1.378(9) . ?
C33 C34 1.392(8) . ?
C33 C38 1.460(9) . ?
C33 P2 1.768(6) . ?
C34 C35 1.407(9) . ?
C35 C36 1.404(10) . ?
C36 C37 1.388(10) . ?
C37 C38 1.409(9) . ?
P1 O1 1.617(5) . ?
P2 O2 1.631(4) . ?
O1 C39 1.358(9) . ?
O2 C41 1.427(8) . ?
C39 C40 1.389(13) . ?
C41 C42 1.406(12) . ?
Pd3 C43 2.064(7) . ?
Pd3 P3 2.2036(16) . ?
Pd3 Cl3 2.4178(16) 2_666 ?
Pd3 Cl3 2.4480(18) . ?
Cl3 Pd3 2.4177(16) 2_666 ?
C43 C44 1.483(10) . ?
C44 C49 1.384(10) . ?
C44 C45 1.392(11) . ?
C45 C46 1.401(12) . ?
C46 C47 1.378(14) . ?
C47 C48 1.344(13) . ?
C48 C49 1.389(12) . ?
C50 C51 1.374(8) . ?
C50 C55 1.402(8) . ?
C50 P3 1.817(6) . ?
C51 C52 1.370(10) . ?
C52 C53 1.388(11) . ?
C53 C54 1.372(11) . ?
C54 C55 1.372(10) . ?
C56 C61 1.424(15) . ?
C56 C57 1.426(14) . ?
C56 P3 1.767(18) . ?
C57 C58 1.406(13) . ?
C58 C59 1.387(14) . ?
C59 C60 1.422(14) . ?
C60 C61 1.417(15) . ?
C62 C63 1.399(13) . ?
C62 C67 1.405(14) . ?
C62 P3 1.736(16) . ?
C63 C64 1.410(13) . ?
C64 C65 1.418(14) . ?
C65 C66 1.402(15) . ?
C66 C67 1.417(14) . ?
O3 C68 1.452(17) . ?
O3 P3 1.659(14) . ?
C68 C69 1.422(19) . ?
O4 C70 1.467(16) . ?
O4 P3 1.611(11) . ?
C70 C71 1.445(18) . ?

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
C1 Pd1 P1 93.40(18) . . ?
C1 Pd1 Cl1 90.46(17) . . ?
P1 Pd1 Cl1 176.07(6) . . ?
C1 Pd1 Cl2 173.61(16) . . ?
P1 Pd1 Cl2 92.30(6) . . ?
Cl1 Pd1 Cl2 83.89(5) . . ?
C8 Pd2 P2 87.7(2) . . ?
C8 Pd2 Cl1 89.79(19) . . ?
P2 Pd2 Cl1 173.75(6) . . ?
C8 Pd2 Cl2 169.31(19) . . ?
P2 Pd2 Cl2 99.46(6) . . ?
Cl1 Pd2 Cl2 83.83(5) . . ?
Pd1 Cl1 Pd2 96.09(5) . . ?
Pd2 Cl2 Pd1 94.74(5) . . ?
C2 C1 Pd1 107.9(4) . . ?
C3 C2 C7 117.5(6) . . ?
C3 C2 C1 120.5(6) . . ?
C7 C2 C1 122.0(6) . . ?
C4 C3 C2 121.0(7) . . ?
C5 C4 C3 121.0(7) . . ?
C4 C5 C6 119.3(7) . . ?
C7 C6 C5 119.6(7) . . ?
C6 C7 C2 121.6(7) . . ?
C9 C8 Pd2 109.0(4) . . ?
C14 C9 C10 119.3(8) . . ?
C14 C9 C8 119.5(8) . . ?
C10 C9 C8 121.1(7) . . ?
C11 C10 C9 119.0(10) . . ?
C12 C11 C10 121.7(11) . . ?
C11 C12 C13 120.0(9) . . ?
C12 C13 C14 119.8(10) . . ?
C9 C14 C13 120.1(10) . . ?
C20 C15 C16 119.6(7) . . ?
C20 C15 P1 120.0(5) . . ?
C16 C15 P1 120.2(6) . . ?
C17 C16 C15 119.4(9) . . ?
C16 C17 C18 120.9(9) . . ?
C19 C18 C17 120.3(9) . . ?
C18 C19 C20 121.1(9) . . ?
C15 C20 C19 118.4(7) . . ?
C22 C21 C26 118.5(6) . . ?
C22 C21 P1 121.2(5) . . ?
C26 C21 P1 120.3(5) . . ?
C21 C22 C23 121.6(6) . . ?
C24 C23 C22 118.8(7) . . ?
C25 C24 C23 120.1(7) . . ?
C26 C25 C24 120.3(6) . . ?
C25 C26 C21 120.7(7) . . ?
C32 C27 C28 118.5(6) . . ?
C32 C27 P2 122.2(4) . . ?
C28 C27 P2 118.8(5) . . ?
C29 C28 C27 120.9(7) . . ?
C28 C29 C30 119.8(6) . . ?
C29 C30 C31 120.4(7) . . ?
C30 C31 C32 119.9(7) . . ?
C31 C32 C27 120.4(6) . . ?
C34 C33 C38 118.9(6) . . ?
C34 C33 P2 119.0(5) . . ?
C38 C33 P2 120.8(4) . . ?
C33 C34 C35 119.8(6) . . ?
C36 C35 C34 120.8(6) . . ?
C37 C36 C35 120.7(6) . . ?
C36 C37 C38 119.6(6) . . ?
C37 C38 C33 119.7(6) . . ?
O1 P1 C15 103.0(3) . . ?
O1 P1 C21 99.8(3) . . ?
C15 P1 C21 102.1(3) . . ?
O1 P1 Pd1 113.5(2) . . ?
C15 P1 Pd1 121.5(2) . . ?
C21 P1 Pd1 114.1(2) . . ?
O2 P2 C33 100.7(2) . . ?
O2 P2 C27 103.4(3) . . ?
C33 P2 C27 99.8(3) . . ?
O2 P2 Pd2 114.49(19) . . ?
C33 P2 Pd2 119.0(2) . . ?
C27 P2 Pd2 116.8(2) . . ?
C39 O1 P1 126.8(5) . . ?
C41 O2 P2 118.3(5) . . ?
O1 C39 C40 118.1(9) . . ?
C42 C41 O2 115.4(8) . . ?
C43 Pd3 P3 89.9(2) . . ?
C43 Pd3 Cl3 90.3(2) . 2_666 ?
P3 Pd3 Cl3 179.46(6) . 2_666 ?
C43 Pd3 Cl3 173.2(2) . . ?
P3 Pd3 Cl3 94.95(6) . . ?
Cl3 Pd3 Cl3 84.87(6) 2_666 . ?
Pd3 Cl3 Pd3 95.13(6) 2_666 . ?
C44 C43 Pd3 106.3(5) . . ?
C49 C44 C45 118.2(8) . . ?
C49 C44 C43 121.8(7) . . ?
C45 C44 C43 120.0(7) . . ?
C44 C45 C46 120.3(8) . . ?
C47 C46 C45 119.1(9) . . ?
C48 C47 C46 121.4(9) . . ?
C47 C48 C49 119.8(8) . . ?
C44 C49 C48 121.2(9) . . ?
C51 C50 C55 118.5(6) . . ?
C51 C50 P3 119.7(5) . . ?
C55 C50 P3 121.8(5) . . ?
C52 C51 C50 120.4(6) . . ?
C51 C52 C53 120.7(7) . . ?
C54 C53 C52 119.6(7) . . ?
C53 C54 C55 119.6(7) . . ?
C54 C55 C50 121.1(7) . . ?
C61 C56 C57 121.9(18) . . ?
C61 C56 P3 115.3(13) . . ?
C57 C56 P3 122.7(13) . . ?
C58 C57 C56 119.9(15) . . ?
C59 C58 C57 119.8(16) . . ?
C58 C59 C60 119.8(18) . . ?
C61 C60 C59 123(2) . . ?
C60 C61 C56 116(2) . . ?
C63 C62 C67 119.0(16) . . ?
C63 C62 P3 117.5(11) . . ?
C67 C62 P3 123.5(13) . . ?
C62 C63 C64 120.9(16) . . ?
C63 C64 C65 119.3(19) . . ?
C66 C65 C64 121(2) . . ?
C65 C66 C67 118(2) . . ?
C62 C67 C66 122(2) . . ?
C68 O3 P3 119.5(11) . . ?
C69 C68 O3 114.7(14) . . ?
C70 O4 P3 120.7(10) . . ?
C71 C70 O4 113.8(16) . . ?
O4 P3 O3 94.6(7) . . ?
O4 P3 C62 101.8(6) . . ?
O3 P3 C62 9.0(8) . . ?
O4 P3 C56 5.9(9) . . ?
O3 P3 C56 100.1(8) . . ?
C62 P3 C56 107.0(8) . . ?
O4 P3 C50 106.5(5) . . ?
O3 P3 C50 107.6(6) . . ?
C62 P3 C50 100.1(6) . . ?
C56 P3 C50 102.5(6) . . ?
O4 P3 Pd3 114.3(4) . . ?
O3 P3 Pd3 118.2(5) . . ?
C62 P3 Pd3 118.8(5) . . ?
C56 P3 Pd3 112.9(6) . . ?
C50 P3 Pd3 113.58(19) . . ?

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
C1 Pd1 Cl1 Pd2 -173.85(17) . . . . ?
P1 Pd1 Cl1 Pd2 -5.3(9) . . . . ?
Cl2 Pd1 Cl1 Pd2 9.14(6) . . . . ?
C8 Pd2 Cl1 Pd1 179.44(18) . . . . ?
P2 Pd2 Cl1 Pd1 113.0(5) . . . . ?
Cl2 Pd2 Cl1 Pd1 -9.16(6) . . . . ?
C8 Pd2 Cl2 Pd1 62.7(10) . . . . ?
P2 Pd2 Cl2 Pd1 -165.62(5) . . . . ?
Cl1 Pd2 Cl2 Pd1 9.02(6) . . . . ?
C1 Pd1 Cl2 Pd2 -36.9(16) . . . . ?
P1 Pd1 Cl2 Pd2 169.98(6) . . . . ?
Cl1 Pd1 Cl2 Pd2 -9.04(6) . . . . ?
P1 Pd1 C1 C2 102.1(4) . . . . ?
Cl1 Pd1 C1 C2 -78.7(4) . . . . ?
Cl2 Pd1 C1 C2 -50.9(19) . . . . ?
Pd1 C1 C2 C3 -89.8(6) . . . . ?
Pd1 C1 C2 C7 89.5(6) . . . . ?
C7 C2 C3 C4 2.4(9) . . . . ?
C1 C2 C3 C4 -178.3(6) . . . . ?
C2 C3 C4 C5 -1.8(11) . . . . ?
C3 C4 C5 C6 0.9(11) . . . . ?
C4 C5 C6 C7 -0.6(10) . . . . ?
C5 C6 C7 C2 1.3(10) . . . . ?
C3 C2 C7 C6 -2.1(9) . . . . ?
C1 C2 C7 C6 178.5(6) . . . . ?
P2 Pd2 C8 C9 -86.9(5) . . . . ?
Cl1 Pd2 C8 C9 98.9(5) . . . . ?
Cl2 Pd2 C8 C9 45.6(13) . . . . ?
Pd2 C8 C9 C14 114.9(6) . . . . ?
Pd2 C8 C9 C10 -67.3(8) . . . . ?
C14 C9 C10 C11 0.1(12) . . . . ?
C8 C9 C10 C11 -177.8(8) . . . . ?
C9 C10 C11 C12 1.0(16) . . . . ?
C10 C11 C12 C13 -1.9(19) . . . . ?
C11 C12 C13 C14 1.7(18) . . . . ?
C10 C9 C14 C13 -0.2(12) . . . . ?
C8 C9 C14 C13 177.6(7) . . . . ?
C12 C13 C14 C9 -0.7(14) . . . . ?
C20 C15 C16 C17 -4.1(13) . . . . ?
P1 C15 C16 C17 -179.9(8) . . . . ?
C15 C16 C17 C18 0.6(17) . . . . ?
C16 C17 C18 C19 1.6(18) . . . . ?
C17 C18 C19 C20 -0.4(15) . . . . ?
C16 C15 C20 C19 5.2(10) . . . . ?
P1 C15 C20 C19 -178.9(5) . . . . ?
C18 C19 C20 C15 -3.0(12) . . . . ?
C26 C21 C22 C23 -0.3(9) . . . . ?
P1 C21 C22 C23 -177.8(4) . . . . ?
C21 C22 C23 C24 0.3(9) . . . . ?
C22 C23 C24 C25 0.1(9) . . . . ?
C23 C24 C25 C26 -0.4(10) . . . . ?
C24 C25 C26 C21 0.4(10) . . . . ?
C22 C21 C26 C25 0.0(9) . . . . ?
P1 C21 C26 C25 177.5(5) . . . . ?
C32 C27 C28 C29 -0.9(10) . . . . ?
P2 C27 C28 C29 -172.8(6) . . . . ?
C27 C28 C29 C30 0.2(12) . . . . ?
C28 C29 C30 C31 0.2(12) . . . . ?
C29 C30 C31 C32 0.2(11) . . . . ?
C30 C31 C32 C27 -0.9(10) . . . . ?
C28 C27 C32 C31 1.2(9) . . . . ?
P2 C27 C32 C31 172.9(5) . . . . ?
C38 C33 C34 C35 -7.5(10) . . . . ?
P2 C33 C34 C35 -174.6(6) . . . . ?
C33 C34 C35 C36 7.1(11) . . . . ?
C34 C35 C36 C37 -4.7(12) . . . . ?
C35 C36 C37 C38 2.9(11) . . . . ?
C36 C37 C38 C33 -3.4(11) . . . . ?
C34 C33 C38 C37 5.8(10) . . . . ?
P2 C33 C38 C37 172.6(5) . . . . ?
C20 C15 P1 O1 -175.1(5) . . . . ?
C16 C15 P1 O1 0.8(7) . . . . ?
C20 C15 P1 C21 -72.0(6) . . . . ?
C16 C15 P1 C21 103.9(6) . . . . ?
C20 C15 P1 Pd1 56.5(6) . . . . ?
C16 C15 P1 Pd1 -127.6(6) . . . . ?
C22 C21 P1 O1 -143.4(5) . . . . ?
C26 C21 P1 O1 39.2(5) . . . . ?
C22 C21 P1 C15 111.0(5) . . . . ?
C26 C21 P1 C15 -66.5(5) . . . . ?
C22 C21 P1 Pd1 -22.0(5) . . . . ?
C26 C21 P1 Pd1 160.5(4) . . . . ?
C1 Pd1 P1 O1 -113.9(3) . . . . ?
Cl1 Pd1 P1 O1 77.5(9) . . . . ?
Cl2 Pd1 P1 O1 63.2(3) . . . . ?
C1 Pd1 P1 C15 9.7(3) . . . . ?
Cl1 Pd1 P1 C15 -158.8(9) . . . . ?
Cl2 Pd1 P1 C15 -173.2(2) . . . . ?
C1 Pd1 P1 C21 132.7(3) . . . . ?
Cl1 Pd1 P1 C21 -35.9(9) . . . . ?
Cl2 Pd1 P1 C21 -50.2(2) . . . . ?
C34 C33 P2 O2 -170.4(6) . . . . ?
C38 C33 P2 O2 22.8(6) . . . . ?
C34 C33 P2 C27 83.9(6) . . . . ?
C38 C33 P2 C27 -83.0(6) . . . . ?
C34 C33 P2 Pd2 -44.5(6) . . . . ?
C38 C33 P2 Pd2 148.7(5) . . . . ?
C32 C27 P2 O2 153.1(5) . . . . ?
C28 C27 P2 O2 -35.3(5) . . . . ?
C32 C27 P2 C33 -103.4(5) . . . . ?
C28 C27 P2 C33 68.2(5) . . . . ?
C32 C27 P2 Pd2 26.4(6) . . . . ?
C28 C27 P2 Pd2 -162.0(4) . . . . ?
C8 Pd2 P2 O2 79.5(3) . . . . ?
Cl1 Pd2 P2 O2 146.1(5) . . . . ?
Cl2 Pd2 P2 O2 -92.5(2) . . . . ?
C8 Pd2 P2 C33 -39.5(3) . . . . ?
Cl1 Pd2 P2 C33 27.1(6) . . . . ?
Cl2 Pd2 P2 C33 148.5(2) . . . . ?
C8 Pd2 P2 C27 -159.5(3) . . . . ?
Cl1 Pd2 P2 C27 -92.9(6) . . . . ?
Cl2 Pd2 P2 C27 28.5(2) . . . . ?
C15 P1 O1 C39 -118.7(9) . . . . ?
C21 P1 O1 C39 136.4(9) . . . . ?
Pd1 P1 O1 C39 14.5(9) . . . . ?
C33 P2 O2 C41 177.4(7) . . . . ?
C27 P2 O2 C41 -79.7(7) . . . . ?
Pd2 P2 O2 C41 48.4(7) . . . . ?
P1 O1 C39 C40 -167.8(11) . . . . ?
P2 O2 C41 C42 -162.7(7) . . . . ?
C43 Pd3 Cl3 Pd3 44.8(18) . . . 2_666 ?
P3 Pd3 Cl3 Pd3 -179.49(6) . . . 2_666 ?
Cl3 Pd3 Cl3 Pd3 0.000(2) 2_666 . . 2_666 ?
P3 Pd3 C43 C44 -107.9(5) . . . . ?
Cl3 Pd3 C43 C44 72.5(5) 2_666 . . . ?
Cl3 Pd3 C43 C44 28(2) . . . . ?
Pd3 C43 C44 C49 -95.4(7) . . . . ?
Pd3 C43 C44 C45 86.5(7) . . . . ?
C49 C44 C45 C46 3.6(11) . . . . ?
C43 C44 C45 C46 -178.3(7) . . . . ?
C44 C45 C46 C47 -3.1(13) . . . . ?
C45 C46 C47 C48 1.4(14) . . . . ?
C46 C47 C48 C49 -0.3(14) . . . . ?
C45 C44 C49 C48 -2.5(11) . . . . ?
C43 C44 C49 C48 179.4(7) . . . . ?
C47 C48 C49 C44 0.9(13) . . . . ?
C55 C50 C51 C52 0.1(11) . . . . ?
P3 C50 C51 C52 178.5(6) . . . . ?
C50 C51 C52 C53 -0.8(13) . . . . ?
C51 C52 C53 C54 1.6(13) . . . . ?
C52 C53 C54 C55 -1.6(12) . . . . ?
C53 C54 C55 C50 0.8(11) . . . . ?
C51 C50 C55 C54 -0.1(10) . . . . ?
P3 C50 C55 C54 -178.5(6) . . . . ?
C61 C56 C57 C58 -0.1(12) . . . . ?
P3 C56 C57 C58 176.0(14) . . . . ?
C56 C57 C58 C59 -0.2(10) . . . . ?
C57 C58 C59 C60 1.0(19) . . . . ?
C58 C59 C60 C61 -2(3) . . . . ?
C59 C60 C61 C56 1(3) . . . . ?
C57 C56 C61 C60 0(2) . . . . ?
P3 C56 C61 C60 -176.7(16) . . . . ?
C67 C62 C63 C64 -1.4(11) . . . . ?
P3 C62 C63 C64 175.7(12) . . . . ?
C62 C63 C64 C65 -0.9(11) . . . . ?
C63 C64 C65 C66 1(2) . . . . ?
C64 C65 C66 C67 1(3) . . . . ?
C63 C62 C67 C66 3(2) . . . . ?
P3 C62 C67 C66 -173.5(16) . . . . ?
C65 C66 C67 C62 -3(3) . . . . ?
P3 O3 C68 C69 175.8(14) . . . . ?
P3 O4 C70 C71 178.5(13) . . . . ?
C70 O4 P3 O3 167.3(12) . . . . ?
C70 O4 P3 C62 172.8(12) . . . . ?
C70 O4 P3 C56 -35(9) . . . . ?
C70 O4 P3 C50 -82.7(11) . . . . ?
C70 O4 P3 Pd3 43.5(12) . . . . ?
C68 O3 P3 O4 -173.2(13) . . . . ?
C68 O3 P3 C62 44(6) . . . . ?
C68 O3 P3 C56 -175.4(14) . . . . ?
C68 O3 P3 C50 77.8(13) . . . . ?
C68 O3 P3 Pd3 -52.5(15) . . . . ?
C63 C62 P3 O4 -179.9(9) . . . . ?
C67 C62 P3 O4 -2.9(14) . . . . ?
C63 C62 P3 O3 -142(7) . . . . ?
C67 C62 P3 O3 35(5) . . . . ?
C63 C62 P3 C56 177.3(10) . . . . ?
C67 C62 P3 C56 -5.8(15) . . . . ?
C63 C62 P3 C50 70.7(9) . . . . ?
C67 C62 P3 C50 -112.4(13) . . . . ?
C63 C62 P3 Pd3 -53.5(11) . . . . ?
C67 C62 P3 Pd3 123.5(12) . . . . ?
C61 C56 P3 O4 137(10) . . . . ?
C57 C56 P3 O4 -39(8) . . . . ?
C61 C56 P3 O3 159.4(13) . . . . ?
C57 C56 P3 O3 -16.8(13) . . . . ?
C61 C56 P3 C62 165.4(13) . . . . ?
C57 C56 P3 C62 -10.9(14) . . . . ?
C61 C56 P3 C50 -89.8(12) . . . . ?
C57 C56 P3 C50 93.9(11) . . . . ?
C61 C56 P3 Pd3 32.9(14) . . . . ?
C57 C56 P3 Pd3 -143.4(9) . . . . ?
C51 C50 P3 O4 171.3(7) . . . . ?
C55 C50 P3 O4 -10.3(7) . . . . ?
C51 C50 P3 O3 -88.2(8) . . . . ?
C55 C50 P3 O3 90.3(7) . . . . ?
C51 C50 P3 C62 -83.1(7) . . . . ?
C55 C50 P3 C62 95.4(7) . . . . ?
C51 C50 P3 C56 166.8(8) . . . . ?
C55 C50 P3 C56 -14.8(8) . . . . ?
C51 C50 P3 Pd3 44.6(6) . . . . ?
C55 C50 P3 Pd3 -137.0(5) . . . . ?
C43 Pd3 P3 O4 79.8(5) . . . . ?
Cl3 Pd3 P3 O4 -166(50) 2_666 . . . ?
Cl3 Pd3 P3 O4 -95.4(5) . . . . ?
C43 Pd3 P3 O3 -30.2(7) . . . . ?
Cl3 Pd3 P3 O3 84(7) 2_666 . . . ?
Cl3 Pd3 P3 O3 154.6(6) . . . . ?
C43 Pd3 P3 C62 -40.4(6) . . . . ?
Cl3 Pd3 P3 C62 74(7) 2_666 . . . ?
Cl3 Pd3 P3 C62 144.3(6) . . . . ?
C43 Pd3 P3 C56 86.1(7) . . . . ?
Cl3 Pd3 P3 C56 -159(7) 2_666 . . . ?
Cl3 Pd3 P3 C56 -89.2(7) . . . . ?
C43 Pd3 P3 C50 -157.7(3) . . . . ?
Cl3 Pd3 P3 C50 -43(7) 2_666 . . . ?
Cl3 Pd3 P3 C50 27.1(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.505
_refine_diff_density_min         -1.128
_refine_diff_density_rms         0.135
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: chloroform/hexane'
