# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2002

data_eg45

_database_code_CSD	183215


_journal_coden_Cambridge      440

_publ_requested_journal       'New Journal of Chemistry'

loop_
_publ_author_name
'Vila, Jose M.'
'Fernandez, Jesus J.'
'Fernandez, Alberto'
'Lopez-Torres, Margarita'
'Mosteiro, Roberto'
'Pereira, Esther'
'Pereira, Ma Teresa'
'Suarez, Antonio'

_publ_contact_author_name     	'Dr Jose M. Vila'  
_publ_contact_author_address 
;
Inorganic Chemistry
University of Santiago
Facultad de Química, Av. de las Cie
Santiago de Compostela
A Coruña
15782
SPAIN
;

_publ_contact_author_email       'QIDEPORT@USC.ES'

_publ_section_title		
;
Sterically controlled reactivity of palladium(II) tetranuclear
cyclometallated complexes. Crystal and molecular structure of the novel
tetranuclear compound [Pd2{1,3-[C(H)=NCH2C4H7O]2-C6H2}(m-Cl)(Cl)(PPh3)]2
;

_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
'C78 H80 Cl22 N4 O4 P2 Pd4'
_chemical_formula_weight          2404.90

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'
'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                    13.2641(3)
_cell_length_b                    16.4647(3)
_cell_length_c                    23.7877(5)
_cell_angle_alpha                 84.5080(10)
_cell_angle_beta                  80.9080(10)
_cell_angle_gamma                 67.8080(10)
_cell_volume                      4746.03(17)
_cell_formula_units_Z             2
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           0.55
_exptl_crystal_size_mid           0.45
_exptl_crystal_size_min           0.30
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.683
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              2392
_exptl_absorpt_coefficient_mu     1.447
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   0.5034
_exptl_absorpt_correction_T_max   0.6708
_exptl_absorpt_process_details    ?

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   ?
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             32809
_diffrn_reflns_av_R_equivalents   0.0258
_diffrn_reflns_av_sigmaI/netI     0.0648
_diffrn_reflns_limit_h_min        -14
_diffrn_reflns_limit_h_max        17
_diffrn_reflns_limit_k_min        -21
_diffrn_reflns_limit_k_max        21
_diffrn_reflns_limit_l_min        -31
_diffrn_reflns_limit_l_max        31
_diffrn_reflns_theta_min          0.87
_diffrn_reflns_theta_max          28.29
_reflns_number_total              22629
_reflns_number_gt                 15144
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_refine_special_details
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0937P)^2^+24.9349P] where P=(Fo^2^+2Fc^2^)/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          22629
_refine_ls_number_parameters      1093

_refine_ls_number_restraints      70

_refine_ls_R_factor_all           0.1142
_refine_ls_R_factor_gt            0.0722
_refine_ls_wR_factor_ref          0.2158
_refine_ls_wR_factor_gt           0.1820
_refine_ls_goodness_of_fit_ref    1.031
_refine_ls_restrained_S_all       1.034
_refine_ls_shift/su_max           0.002
_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 -0.94180(4) 1.27553(3) 0.27513(2) 0.03551(13) Uani 1 1 d . . .
Pd2 Pd -1.07024(4) 1.53223(3) 0.06778(2) 0.03736(14) Uani 1 1 d . . .
Pd3 Pd -0.12973(4) 0.75828(4) 0.24144(2) 0.04092(15) Uani 1 1 d . . .
Pd4 Pd 0.05846(5) 0.48032(3) 0.42930(2) 0.03902(14) Uani 1 1 d . . .
Cl1 Cl -0.85091(18) 1.16209(14) 0.34137(8) 0.0585(5) Uani 1 1 d . . .
Cl2 Cl -0.93194(17) 1.40690(12) 0.03040(7) 0.0546(5) Uani 1 1 d . . .
Cl3 Cl -0.25538(18) 0.85988(13) 0.18313(9) 0.0565(5) Uani 1 1 d . . .
Cl4 Cl 0.08335(18) 0.40568(12) 0.52349(8) 0.0576(6) Uani 1 1 d . . .
P1 P -0.82332(14) 1.20702(11) 0.19953(7) 0.0340(4) Uani 1 1 d . . .
P2 P -0.24653(15) 0.80958(12) 0.32108(8) 0.0390(4) Uani 1 1 d . . .
N1 N -1.0536(5) 1.3484(4) 0.3418(2) 0.0427(14) Uani 1 1 d . G .
N2 N -1.1917(5) 1.6382(4) 0.1032(2) 0.0406(13) Uani 1 1 d . . .
N3 N -0.0164(5) 0.7058(5) 0.1705(3) 0.0482(15) Uani 1 1 d . I .
N4 N 0.1781(5) 0.3828(4) 0.3848(3) 0.0486(16) Uani 1 1 d . . .
O1 O -1.2622(6) 1.3978(5) 0.4246(3) 0.096(3) Uani 1 1 d D . .
O2 O -1.4248(8) 1.6869(8) 0.0983(5) 0.135(4) Uani 1 1 d D . .
O3 O 0.0990(13) 0.8322(9) 0.0656(5) 0.167(6) Uani 1 1 d D . .
C1 C -1.0203(5) 1.3836(4) 0.2288(3) 0.0361(14) Uani 1 1 d . . .
C2 C -1.0085(6) 1.4060(4) 0.1707(3) 0.0369(14) Uani 1 1 d . . .
H2 H -0.9564 1.3654 0.1461 0.044 Uiso 1 1 calc R . .
C3 C -1.0725(6) 1.4875(4) 0.1483(3) 0.0365(14) Uani 1 1 d . . .
C4 C -1.1515(6) 1.5502(5) 0.1848(3) 0.0386(15) Uani 1 1 d . . .
C5 C -1.1660(6) 1.5304(5) 0.2437(3) 0.0414(16) Uani 1 1 d . . .
H5 H -1.2180 1.5714 0.2681 0.050 Uiso 1 1 calc R . .
C6 C -1.1019(6) 1.4491(4) 0.2649(3) 0.0373(15) Uani 1 1 d . . .
C7 C -1.1147(6) 1.4257(5) 0.3248(3) 0.0446(17) Uani 1 1 d . . .
H7 H -1.1656 1.4651 0.3505 0.054 Uiso 1 1 calc R . .
C8 C -1.2145(6) 1.6314(5) 0.1576(3) 0.0415(16) Uani 1 1 d . . .
H8 H -1.2688 1.6765 0.1782 0.050 Uiso 1 1 calc R . .
C9 C -1.0674(6) 1.3214(6) 0.4025(3) 0.054(2) Uani 1 1 d D . .
H9A H -1.0593 1.3641 0.4251 0.065 Uiso 1 1 calc R A 1
H9B H -1.0093 1.2654 0.4089 0.065 Uiso 1 1 calc R A 1
C12 C -1.2685(19) 1.3472(17) 0.5190(8) 0.288(19) Uani 1 1 d D . .
H12A H -1.3179 1.3246 0.5439 0.346 Uiso 1 1 calc R B 1
H12B H -1.2356 1.3738 0.5419 0.346 Uiso 1 1 calc R B 1
C13 C -1.3256(18) 1.4098(13) 0.4768(7) 0.234(16) Uani 1 1 d D G .
H13A H -1.3940 1.4027 0.4740 0.281 Uiso 1 1 calc R . .
H13B H -1.3430 1.4690 0.4884 0.281 Uiso 1 1 calc R . .
C14 C -1.2566(6) 1.7168(5) 0.0722(3) 0.0488(19) Uani 1 1 d D . .
H14A H -1.2098 1.7310 0.0404 0.059 Uiso 1 1 calc R . .
H14B H -1.2864 1.7659 0.0973 0.059 Uiso 1 1 calc R . .
C15 C -1.3500(8) 1.7027(6) 0.0503(4) 0.074(3) Uani 1 1 d D . .
H15 H -1.3201 1.6518 0.0260 0.089 Uiso 1 1 calc R . .
C16 C -1.4111(12) 1.7832(8) 0.0160(5) 0.105(5) Uani 1 1 d D . .
H16A H -1.4216 1.7682 -0.0206 0.126 Uiso 1 1 calc R . .
H16B H -1.3739 1.8245 0.0101 0.126 Uiso 1 1 calc R . .
C17 C -1.5191(15) 1.8185(13) 0.0552(9) 0.193(11) Uani 1 1 d D . .
H17A H -1.5281 1.8749 0.0687 0.231 Uiso 1 1 calc R . .
H17B H -1.5795 1.8272 0.0341 0.231 Uiso 1 1 calc R . .
C18 C -1.5221(16) 1.7580(13) 0.1037(10) 0.210(12) Uani 1 1 d D . .
H18A H -1.5312 1.7866 0.1389 0.252 Uiso 1 1 calc R . .
H18B H -1.5833 1.7392 0.1044 0.252 Uiso 1 1 calc R . .
C19 C -0.7364(6) 1.0926(4) 0.2115(3) 0.0398(15) Uani 1 1 d . . .
C20 C -0.6260(7) 1.0598(5) 0.1984(4) 0.059(2) Uani 1 1 d . . .
H20 H -0.5890 1.0974 0.1852 0.070 Uiso 1 1 calc R . .
C21 C -0.5663(8) 0.9683(6) 0.2045(5) 0.074(3) Uani 1 1 d . . .
H21 H -0.4904 0.9457 0.1948 0.089 Uiso 1 1 calc R . .
C22 C -0.6201(9) 0.9146(6) 0.2244(5) 0.078(3) Uani 1 1 d . . .
H22 H -0.5809 0.8546 0.2286 0.094 Uiso 1 1 calc R . .
C23 C -0.7303(10) 0.9465(6) 0.2383(5) 0.076(3) Uani 1 1 d . . .
H23 H -0.7661 0.9084 0.2526 0.091 Uiso 1 1 calc R . .
C24 C -0.7909(8) 1.0359(5) 0.2316(4) 0.057(2) Uani 1 1 d . . .
H24 H -0.8670 1.0575 0.2404 0.069 Uiso 1 1 calc R . .
C25 C -0.7291(5) 1.2640(4) 0.1774(3) 0.0351(14) Uani 1 1 d . . .
C26 C -0.7273(6) 1.3123(5) 0.1264(3) 0.0436(16) Uani 1 1 d . . .
H26 H -0.7703 1.3113 0.0993 0.052 Uiso 1 1 calc R . .
C27 C -0.6614(7) 1.3622(5) 0.1156(4) 0.055(2) Uani 1 1 d . . .
H27 H -0.6614 1.3951 0.0816 0.066 Uiso 1 1 calc R . .
C28 C -0.5961(7) 1.3633(6) 0.1550(4) 0.057(2) Uani 1 1 d . . .
H28 H -0.5529 1.3973 0.1479 0.068 Uiso 1 1 calc R . .
C29 C -0.5956(6) 1.3128(5) 0.2054(3) 0.0484(18) Uani 1 1 d . . .
H29 H -0.5500 1.3118 0.2317 0.058 Uiso 1 1 calc R . .
C30 C -0.6625(6) 1.2641(4) 0.2167(3) 0.0408(16) Uani 1 1 d . . .
H30 H -0.6626 1.2314 0.2509 0.049 Uiso 1 1 calc R . .
C31 C -0.8789(6) 1.1946(4) 0.1371(3) 0.0397(15) Uani 1 1 d . . .
C32 C -0.9904(7) 1.2139(5) 0.1390(4) 0.0519(19) Uani 1 1 d . . .
H32 H -1.0379 1.2373 0.1716 0.062 Uiso 1 1 calc R . .
C33 C -1.0319(9) 1.1987(7) 0.0928(5) 0.075(3) Uani 1 1 d . . .
H33 H -1.1070 1.2119 0.0946 0.090 Uiso 1 1 calc R . .
C34 C -0.9632(11) 1.1645(7) 0.0447(4) 0.077(3) Uani 1 1 d . . .
H34 H -0.9916 1.1553 0.0136 0.092 Uiso 1 1 calc R . .
C35 C -0.8536(10) 1.1441(6) 0.0423(4) 0.069(3) Uani 1 1 d . . .
H35 H -0.8070 1.1199 0.0097 0.083 Uiso 1 1 calc R . .
C36 C -0.8093(8) 1.1591(5) 0.0885(3) 0.0519(19) Uani 1 1 d . . .
H36 H -0.7341 1.1453 0.0864 0.062 Uiso 1 1 calc R . .
C41 C -0.0296(6) 0.6483(5) 0.2794(3) 0.0387(15) Uani 1 1 d . . .
C42 C -0.0314(5) 0.6177(4) 0.3362(3) 0.0372(15) Uani 1 1 d . . .
H42 H -0.0821 0.6529 0.3641 0.045 Uiso 1 1 calc R . .
C43 C 0.0415(6) 0.5354(4) 0.3519(3) 0.0369(14) Uani 1 1 d . . .
C44 C 0.1163(6) 0.4805(5) 0.3092(3) 0.0421(16) Uani 1 1 d . . .
C45 C 0.1186(6) 0.5084(5) 0.2521(3) 0.0461(18) Uani 1 1 d . . .
H45 H 0.1670 0.4721 0.2241 0.055 Uiso 1 1 calc R . .
C46 C 0.0471(6) 0.5918(5) 0.2379(3) 0.0425(16) Uani 1 1 d . . .
C47 C 0.0521(6) 0.6283(6) 0.1801(3) 0.0508(19) Uani 1 1 d . . .
H47 H 0.1033 0.5966 0.1511 0.061 Uiso 1 1 calc R . .
C48 C 0.1869(6) 0.3973(5) 0.3305(3) 0.0488(19) Uani 1 1 d . . .
H48 H 0.2373 0.3555 0.3061 0.059 Uiso 1 1 calc R . .
C49 C -0.0047(8) 0.7502(6) 0.1144(3) 0.059(2) Uani 1 1 d D . .
H49A H -0.0751 0.7932 0.1065 0.071 Uiso 1 1 calc R C 2
H49B H 0.0230 0.7079 0.0846 0.071 Uiso 1 1 calc R C 2
C51 C 0.0309(17) 0.8712(11) 0.1568(6) 0.166(9) Uani 1 1 d D . .
H51A H 0.0352 0.8514 0.1964 0.199 Uiso 1 1 calc R D 2
H51B H -0.0442 0.9081 0.1519 0.199 Uiso 1 1 calc R D 2
C52 C 0.1110(17) 0.9160(14) 0.1345(6) 0.155(8) Uani 1 1 d D I .
H52A H 0.0846 0.9757 0.1471 0.186 Uiso 1 1 calc R . .
H52B H 0.1831 0.8836 0.1459 0.186 Uiso 1 1 calc R . .
C53 C 0.1126(18) 0.9139(12) 0.0723(7) 0.168(9) Uani 1 1 d D I .
H53A H 0.0530 0.9638 0.0588 0.202 Uiso 1 1 calc R . .
H53B H 0.1818 0.9141 0.0518 0.202 Uiso 1 1 calc R . .
C54 C 0.2542(7) 0.3024(5) 0.4096(3) 0.064(3) Uani 1 1 d D H .
H54A H 0.2797 0.2561 0.3825 0.076 Uiso 1 1 calc R . .
H54B H 0.2165 0.2835 0.4435 0.076 Uiso 1 1 calc R . .
C55 C 0.4293(11) 0.2381(10) 0.4547(6) 0.127(6) Uani 1 1 d D H .
H55A H 0.4181 0.1856 0.4469 0.153 Uiso 1 1 calc R . .
H55B H 0.4189 0.2444 0.4956 0.153 Uiso 1 1 calc R . .
C56 C 0.5444(17) 0.2363(17) 0.4271(10) 0.214(11) Uani 1 1 d DU H .
H56A H 0.5884 0.1806 0.4099 0.257 Uiso 1 1 calc R . .
H56B H 0.5838 0.2474 0.4547 0.257 Uiso 1 1 calc R . .
C57 C 0.5128(16) 0.3140(15) 0.3805(10) 0.180(8) Uani 1 1 d DU . .
H57A H 0.5081 0.3683 0.3955 0.216 Uiso 1 1 calc R E 2
H57B H 0.5672 0.3007 0.3469 0.216 Uiso 1 1 calc R E 2
C58 C 0.3537(7) 0.3188(9) 0.4252(5) 0.137(7) Uani 1 1 d D . .
H58 H 0.3334 0.3730 0.4455 0.165 Uiso 1 1 calc R F 2
C59 C -0.1894(7) 0.8183(5) 0.3838(3) 0.0476(18) Uani 1 1 d . . .
C60 C -0.0807(7) 0.8109(5) 0.3794(4) 0.054(2) Uani 1 1 d . . .
H60 H -0.0355 0.7967 0.3449 0.065 Uiso 1 1 calc R . .
C61 C -0.0394(9) 0.8242(6) 0.4251(5) 0.069(3) Uani 1 1 d . . .
H61 H 0.0336 0.8188 0.4216 0.083 Uiso 1 1 calc R . .
C62 C -0.1053(12) 0.8455(6) 0.4761(5) 0.083(4) Uani 1 1 d . . .
H62 H -0.0764 0.8545 0.5071 0.100 Uiso 1 1 calc R . .
C63 C -0.2147(10) 0.8539(5) 0.4822(4) 0.070(3) Uani 1 1 d . . .
H63 H -0.2585 0.8676 0.5171 0.084 Uiso 1 1 calc R . .
C64 C -0.2580(8) 0.8416(5) 0.4357(4) 0.057(2) Uani 1 1 d . . .
H64 H -0.3316 0.8487 0.4389 0.068 Uiso 1 1 calc R . .
C65 C -0.3269(6) 0.7405(5) 0.3399(3) 0.0423(16) Uani 1 1 d . . .
C66 C -0.3934(6) 0.7387(5) 0.2999(4) 0.0502(19) Uani 1 1 d . . .
H66 H -0.4004 0.7763 0.2678 0.060 Uiso 1 1 calc R . .
C67 C -0.4482(7) 0.6816(6) 0.3083(5) 0.063(2) Uani 1 1 d . . .
H67 H -0.4908 0.6795 0.2813 0.076 Uiso 1 1 calc R . .
C68 C -0.4402(8) 0.6266(6) 0.3570(5) 0.073(3) Uani 1 1 d . . .
H68 H -0.4796 0.5896 0.3637 0.088 Uiso 1 1 calc R . .
C69 C -0.3733(8) 0.6281(6) 0.3950(5) 0.068(3) Uani 1 1 d . . .
H69 H -0.3657 0.5898 0.4268 0.082 Uiso 1 1 calc R . .
C70 C -0.3172(7) 0.6841(5) 0.3876(4) 0.0531(19) Uani 1 1 d . . .
H70 H -0.2730 0.6842 0.4143 0.064 Uiso 1 1 calc R . .
C71 C -0.3453(6) 0.9217(5) 0.3153(3) 0.0481(18) Uani 1 1 d . . .
C72 C -0.3064(8) 0.9863(5) 0.2936(4) 0.064(2) Uani 1 1 d . . .
H72 H -0.2329 0.9710 0.2785 0.076 Uiso 1 1 calc R . .
C73 C -0.3748(10) 1.0730(7) 0.2940(5) 0.080(3) Uani 1 1 d . . .
H73 H -0.3472 1.1161 0.2797 0.096 Uiso 1 1 calc R . .
C74 C -0.4840(10) 1.0965(6) 0.3154(5) 0.079(3) Uani 1 1 d . . .
H74 H -0.5299 1.1554 0.3161 0.094 Uiso 1 1 calc R . .
C75 C -0.5248(9) 1.0341(7) 0.3355(5) 0.084(3) Uani 1 1 d . . .
H75 H -0.5991 1.0499 0.3490 0.101 Uiso 1 1 calc R . .
C76 C -0.4549(7) 0.9453(6) 0.3359(4) 0.066(2) Uani 1 1 d . . .
H76 H -0.4829 0.9024 0.3501 0.079 Uiso 1 1 calc R . .
C1S C -1.0689(10) 1.0828(7) 0.3350(4) 0.109(5) Uani 1 1 d D . .
H1S H -1.0066 1.0951 0.3439 0.131 Uiso 1 1 calc R . .
Cl5 Cl -1.1496(4) 1.0724(3) 0.3982(2) 0.1496(19) Uani 1 1 d D . .
Cl6 Cl -1.1462(4) 1.1702(3) 0.2932(2) 0.150(2) Uani 1 1 d D . .
Cl7 Cl -1.0194(4) 0.9832(3) 0.3014(2) 0.1344(16) Uani 1 1 d D . .
C3S C -0.7453(8) 0.9408(7) 0.4154(5) 0.096(4) Uani 1 1 d D . .
H3S H -0.7426 0.9881 0.3876 0.116 Uiso 1 1 calc R . .
Cl11 Cl -0.6839(7) 0.8410(4) 0.3810(3) 0.225(4) Uani 1 1 d D . .
Cl12 Cl -0.6653(4) 0.9367(3) 0.4672(2) 0.1558(18) Uani 1 1 d D . .
Cl13 Cl -0.8791(4) 0.9616(3) 0.4423(2) 0.1400(16) Uani 1 1 d D . .
C4S C 0.6946(8) 0.4068(6) 0.2047(4) 0.080(3) Uani 1 1 d D . .
H4S H 0.7704 0.4046 0.1997 0.096 Uiso 1 1 calc R . .
Cl14 Cl 0.6425(5) 0.4218(4) 0.2763(2) 0.176(2) Uani 1 1 d D . .
Cl15 Cl 0.6199(4) 0.4933(3) 0.1624(3) 0.151(2) Uani 1 1 d D . .
Cl16 Cl 0.6972(3) 0.3068(2) 0.18623(19) 0.1065(11) Uani 1 1 d D . .
C6S C 0.2880(12) 0.6371(12) 0.0174(6) 0.156(8) Uani 1 1 d D . .
H6S H 0.2330 0.6907 0.0342 0.187 Uiso 1 1 calc R . .
Cl20 Cl 0.3608(6) 0.6704(5) -0.0354(2) 0.207(3) Uani 1 1 d D . .
Cl21 Cl 0.3628(6) 0.5797(4) 0.0721(3) 0.192(3) Uani 1 1 d D . .
Cl22 Cl 0.2142(4) 0.5776(3) 0.0001(2) 0.1457(18) Uani 1 1 d D . .
C10 C -1.1746(12) 1.3131(10) 0.4227(6) 0.065(5) Uani 0.543(16) 1 d PD G 1
H10 H -1.1881 1.2758 0.3973 0.079 Uiso 0.543(16) 1 calc PR G 1
C11 C -1.1817(17) 1.2757(13) 0.4840(7) 0.078(7) Uani 0.543(16) 1 d PD G 1
H11A H -1.2015 1.2245 0.4858 0.093 Uiso 0.543(16) 1 calc PR G 1
H11B H -1.1115 1.2588 0.4980 0.093 Uiso 0.543(16) 1 calc PR G 1
C11A C -1.156(2) 1.3498(18) 0.5029(7) 0.084(9) Uani 0.457(16) 1 d PD G 2
H11C H -1.1003 1.2915 0.5051 0.101 Uiso 0.457(16) 1 calc PR G 2
H11D H -1.1433 1.3878 0.5272 0.101 Uiso 0.457(16) 1 calc PR G 2
C10A C -1.1590(11) 1.3865(12) 0.4417(5) 0.057(6) Uani 0.457(16) 1 d PD G 2
H10A H -1.1494 1.4429 0.4390 0.068 Uiso 0.457(16) 1 calc PR G 2
O4 O 0.4110(7) 0.3212(9) 0.3674(5) 0.180(7) Uani 1 1 d D H 2
C50 C 0.0777(18) 0.7960(11) 0.1170(5) 0.171(10) Uani 1 1 d D I 2
H50 H 0.1460 0.7531 0.1289 0.205 Uiso 1 1 calc R I 2
Cl17 Cl 0.5962(3) 0.1529(2) 0.12984(18) 0.1144(13) Uani 1 1 d D . .
Cl18 Cl 0.7942(4) 0.0473(4) 0.0626(3) 0.193(3) Uani 1 1 d D . .
C5S C 0.6720(10) 0.0504(9) 0.1014(8) 0.115(9) Uani 0.681(7) 1 d PD J 3
H5S H 0.6908 0.0085 0.1338 0.138 Uiso 0.681(7) 1 calc PR J 3
Cl19 Cl 0.6003(6) 0.0127(4) 0.0615(3) 0.136(3) Uani 0.681(7) 1 d PD J 3
C5' C 0.7233(11) 0.0642(19) 0.1316(8) 0.108(19) Uani 0.319(7) 1 d PD J 4
H5' H 0.7109 0.0109 0.1472 0.129 Uiso 0.319(7) 1 calc PR J 4
Cl39 Cl 0.8219(9) 0.0799(6) 0.1663(6) 0.107(4) Uani 0.319(7) 1 d PD J 4
C2S C 0.2501(9) 0.6345(7) 0.2890(4) 0.093(4) Uani 1 1 d D . .
H2S H 0.1784 0.6297 0.2896 0.111 Uiso 1 1 calc R K 5
Cl8 Cl 0.2334(5) 0.7310(4) 0.3195(3) 0.122(3) Uani 0.748(12) 1 d PD L 5
Cl9 Cl 0.3153(7) 0.6308(8) 0.2195(3) 0.161(4) Uani 0.748(12) 1 d PD L 5
Cl10 Cl 0.3343(4) 0.5456(4) 0.3279(3) 0.114(3) Uani 0.748(12) 1 d PD L 5
Cl28 Cl 0.3591(15) 0.5711(18) 0.2444(14) 0.166(13) Uani 0.252(12) 1 d PD L 6
Cl29 Cl 0.264(4) 0.622(3) 0.3588(9) 0.26(3) Uani 0.252(12) 1 d PD L 6
Cl30 Cl 0.216(3) 0.7428(12) 0.264(2) 0.24(2) Uani 0.252(12) 1 d PD L 6

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pd1 0.0310(3) 0.0371(3) 0.0275(2) 0.00506(19) -0.00068(19) -0.0030(2)
Pd2 0.0384(3) 0.0338(3) 0.0255(2) 0.00277(19) 0.0007(2) 0.0000(2)
Pd3 0.0327(3) 0.0438(3) 0.0362(3) 0.0062(2) -0.0022(2) -0.0056(2)
Pd4 0.0414(3) 0.0303(3) 0.0307(3) -0.00505(19) -0.0018(2) 0.0030(2)
Cl1 0.0558(12) 0.0551(11) 0.0394(10) 0.0113(8) -0.0082(8) 0.0055(9)
Cl2 0.0599(12) 0.0438(9) 0.0275(8) 0.0056(7) 0.0023(8) 0.0129(8)
Cl3 0.0563(12) 0.0505(11) 0.0460(10) 0.0095(8) -0.0115(9) -0.0019(9)
Cl4 0.0659(13) 0.0396(9) 0.0324(9) -0.0022(7) 0.0001(8) 0.0175(8)
P1 0.0309(8) 0.0315(8) 0.0321(8) 0.0009(6) -0.0016(7) -0.0045(7)
P2 0.0321(9) 0.0349(9) 0.0411(10) 0.0006(7) -0.0037(7) -0.0033(7)
N1 0.037(3) 0.055(4) 0.022(3) 0.004(2) 0.006(2) -0.006(3)
N2 0.037(3) 0.039(3) 0.033(3) 0.003(2) -0.002(2) -0.002(2)
N3 0.033(3) 0.063(4) 0.039(3) 0.010(3) -0.001(3) -0.011(3)
N4 0.044(4) 0.040(3) 0.040(3) -0.007(3) 0.002(3) 0.007(3)
O1 0.055(4) 0.110(6) 0.077(5) 0.042(4) 0.010(4) 0.003(4)
O2 0.079(6) 0.161(10) 0.143(9) 0.043(8) -0.003(6) -0.038(7)
O3 0.258(16) 0.199(13) 0.103(8) 0.006(8) 0.000(9) -0.163(13)
C1 0.034(3) 0.037(3) 0.031(3) -0.001(3) -0.001(3) -0.006(3)
C2 0.036(3) 0.033(3) 0.030(3) 0.000(2) 0.003(3) -0.003(3)
C3 0.036(4) 0.042(4) 0.024(3) 0.001(3) 0.000(3) -0.009(3)
C4 0.034(3) 0.043(4) 0.031(3) -0.002(3) 0.001(3) -0.008(3)
C5 0.039(4) 0.039(4) 0.034(3) 0.000(3) 0.001(3) -0.002(3)
C6 0.034(3) 0.038(3) 0.032(3) 0.004(3) -0.001(3) -0.006(3)
C7 0.049(4) 0.047(4) 0.027(3) 0.000(3) 0.003(3) -0.009(3)
C8 0.041(4) 0.037(3) 0.036(4) 0.001(3) 0.005(3) -0.006(3)
C9 0.039(4) 0.062(5) 0.032(4) 0.008(3) 0.013(3) 0.005(3)
C12 0.36(4) 0.35(4) 0.084(14) 0.09(2) 0.03(2) -0.09(4)
C13 0.24(3) 0.141(16) 0.139(16) 0.050(13) 0.111(17) 0.063(16)
C14 0.054(5) 0.037(4) 0.039(4) 0.007(3) -0.004(3) 0.000(3)
C15 0.065(6) 0.066(6) 0.068(6) 0.008(5) -0.013(5) 0.002(5)
C16 0.133(12) 0.078(8) 0.068(7) 0.002(6) -0.047(8) 0.015(7)
C17 0.145(18) 0.110(14) 0.27(3) 0.039(17) -0.075(19) 0.025(13)
C18 0.136(18) 0.17(2) 0.24(3) -0.03(2) 0.081(18) 0.008(15)
C19 0.040(4) 0.033(3) 0.039(4) -0.001(3) -0.009(3) -0.004(3)
C20 0.044(4) 0.038(4) 0.082(6) -0.004(4) -0.010(4) 0.000(3)
C21 0.054(5) 0.044(5) 0.109(9) -0.012(5) -0.022(5) 0.007(4)
C22 0.085(8) 0.037(4) 0.105(9) 0.006(5) -0.049(7) -0.002(5)
C23 0.098(8) 0.037(4) 0.100(8) 0.018(5) -0.045(7) -0.025(5)
C24 0.061(5) 0.047(4) 0.063(5) 0.013(4) -0.015(4) -0.020(4)
C25 0.026(3) 0.032(3) 0.036(3) -0.005(3) 0.005(3) -0.001(2)
C26 0.037(4) 0.043(4) 0.042(4) 0.003(3) 0.002(3) -0.008(3)
C27 0.058(5) 0.046(4) 0.057(5) 0.012(4) 0.001(4) -0.020(4)
C28 0.052(5) 0.050(5) 0.069(6) -0.005(4) 0.007(4) -0.025(4)
C29 0.038(4) 0.054(4) 0.050(4) -0.012(4) -0.003(3) -0.011(3)
C30 0.037(4) 0.037(3) 0.036(4) -0.004(3) 0.008(3) -0.004(3)
C31 0.046(4) 0.031(3) 0.035(3) 0.001(3) -0.003(3) -0.008(3)
C32 0.054(5) 0.047(4) 0.054(5) -0.002(4) -0.014(4) -0.014(4)
C33 0.077(7) 0.078(7) 0.079(7) 0.002(6) -0.041(6) -0.031(6)
C34 0.115(10) 0.081(7) 0.050(6) 0.001(5) -0.034(6) -0.045(7)
C35 0.111(9) 0.057(5) 0.043(5) -0.007(4) -0.004(5) -0.037(6)
C36 0.062(5) 0.047(4) 0.037(4) -0.001(3) -0.001(4) -0.011(4)
C41 0.033(3) 0.041(4) 0.032(3) 0.000(3) 0.003(3) -0.005(3)
C42 0.031(3) 0.033(3) 0.036(3) -0.005(3) 0.002(3) -0.001(3)
C43 0.034(3) 0.034(3) 0.037(3) -0.002(3) -0.006(3) -0.005(3)
C44 0.034(4) 0.046(4) 0.037(4) -0.008(3) 0.001(3) -0.004(3)
C45 0.032(4) 0.054(4) 0.036(4) -0.009(3) 0.001(3) 0.002(3)
C46 0.027(3) 0.056(4) 0.035(4) -0.003(3) -0.003(3) -0.004(3)
C47 0.031(4) 0.071(5) 0.035(4) -0.002(4) 0.008(3) -0.006(3)
C48 0.047(4) 0.048(4) 0.033(4) -0.007(3) 0.003(3) 0.002(3)
C49 0.064(5) 0.074(6) 0.035(4) 0.010(4) 0.001(4) -0.025(5)
C51 0.30(3) 0.144(15) 0.091(11) 0.004(10) 0.031(14) -0.148(18)
C52 0.23(2) 0.24(2) 0.082(10) 0.030(12) -0.047(12) -0.18(2)
C53 0.19(2) 0.162(18) 0.18(2) 0.018(15) 0.023(16) -0.129(17)
C54 0.070(6) 0.043(4) 0.039(4) -0.004(3) 0.003(4) 0.019(4)
C55 0.086(9) 0.158(14) 0.097(10) 0.048(10) -0.015(8) -0.012(9)
C56 0.202(14) 0.221(14) 0.215(14) 0.003(9) -0.030(9) -0.074(9)
C57 0.163(11) 0.194(12) 0.189(12) 0.029(9) -0.013(8) -0.086(9)
C58 0.031(5) 0.192(14) 0.113(10) 0.111(10) -0.001(5) 0.014(6)
C59 0.056(5) 0.031(3) 0.047(4) 0.001(3) -0.013(4) -0.004(3)
C60 0.051(5) 0.044(4) 0.064(5) 0.015(4) -0.016(4) -0.015(4)
C61 0.078(7) 0.057(5) 0.081(7) 0.016(5) -0.040(6) -0.028(5)
C62 0.132(11) 0.041(5) 0.090(8) 0.013(5) -0.067(8) -0.030(6)
C63 0.106(8) 0.039(4) 0.050(5) -0.008(4) -0.019(5) -0.005(5)
C64 0.074(6) 0.040(4) 0.049(5) -0.012(3) -0.006(4) -0.011(4)
C65 0.032(4) 0.040(4) 0.047(4) -0.008(3) 0.002(3) -0.006(3)
C66 0.032(4) 0.051(4) 0.058(5) -0.013(4) 0.004(3) -0.006(3)
C67 0.041(5) 0.064(6) 0.084(7) -0.022(5) -0.005(4) -0.015(4)
C68 0.052(5) 0.059(6) 0.109(9) -0.006(6) 0.006(6) -0.027(5)
C69 0.059(6) 0.057(5) 0.082(7) 0.008(5) 0.003(5) -0.021(5)
C70 0.056(5) 0.048(4) 0.052(5) 0.003(4) -0.004(4) -0.018(4)
C71 0.045(4) 0.038(4) 0.047(4) -0.003(3) -0.011(3) 0.002(3)
C72 0.067(6) 0.042(4) 0.077(6) 0.004(4) -0.019(5) -0.013(4)
C73 0.083(8) 0.053(5) 0.092(8) 0.009(5) -0.020(6) -0.011(5)
C74 0.084(8) 0.041(5) 0.088(8) -0.003(5) -0.032(6) 0.012(5)
C75 0.053(6) 0.069(7) 0.100(9) -0.021(6) -0.005(6) 0.015(5)
C76 0.048(5) 0.054(5) 0.072(6) -0.007(4) 0.000(4) 0.006(4)
C1S 0.086(9) 0.143(13) 0.086(9) 0.027(9) 0.011(7) -0.046(9)
Cl5 0.133(4) 0.136(3) 0.126(3) 0.040(3) 0.031(3) -0.018(3)
Cl6 0.145(4) 0.164(4) 0.170(4) 0.090(4) -0.062(3) -0.098(3)
Cl7 0.131(3) 0.129(3) 0.157(4) -0.009(3) 0.032(3) -0.084(3)
C3S 0.089(9) 0.070(7) 0.119(11) -0.008(7) -0.009(8) -0.018(6)
Cl11 0.338(10) 0.158(5) 0.158(5) -0.083(4) 0.083(6) -0.094(6)
Cl12 0.140(4) 0.144(4) 0.158(4) -0.035(3) 0.006(3) -0.026(3)
Cl13 0.151(4) 0.122(3) 0.154(4) 0.006(3) -0.006(3) -0.067(3)
C4S 0.047(5) 0.088(7) 0.100(8) 0.001(6) 0.005(5) -0.026(5)
Cl14 0.181(5) 0.188(5) 0.157(4) -0.061(4) 0.095(4) -0.100(4)
Cl15 0.113(3) 0.096(3) 0.253(6) 0.039(3) -0.078(4) -0.038(2)
Cl16 0.078(2) 0.082(2) 0.160(3) -0.014(2) -0.022(2) -0.0262(16)
C6S 0.109(13) 0.25(2) 0.127(14) -0.039(15) 0.029(11) -0.091(15)
Cl20 0.309(9) 0.275(8) 0.123(4) 0.060(4) -0.031(5) -0.220(7)
Cl21 0.295(8) 0.156(5) 0.168(5) 0.067(4) -0.098(5) -0.125(5)
Cl22 0.111(3) 0.132(3) 0.203(5) -0.037(3) 0.006(3) -0.059(3)
C10 0.100(14) 0.073(12) 0.029(7) 0.016(7) -0.002(8) -0.045(11)
C11 0.076(13) 0.098(15) 0.050(10) 0.035(10) 0.004(9) -0.036(11)
C11A 0.098(19) 0.11(2) 0.019(8) 0.013(10) 0.005(10) -0.017(15)
C10A 0.060(12) 0.074(13) 0.026(8) 0.015(8) -0.002(7) -0.018(10)
O4 0.051(5) 0.218(13) 0.179(11) 0.126(10) 0.002(6) 0.015(6)
C50 0.38(3) 0.163(15) 0.038(6) 0.008(8) -0.012(11) -0.19(2)
Cl17 0.106(3) 0.0661(17) 0.140(3) -0.0073(18) 0.037(2) -0.0167(17)
Cl18 0.123(4) 0.175(5) 0.224(7) -0.048(5) 0.053(4) -0.011(4)
C5S 0.085(14) 0.080(13) 0.16(2) 0.067(14) -0.025(14) -0.020(11)
Cl19 0.176(7) 0.097(4) 0.103(4) -0.006(3) -0.015(4) -0.016(4)
C5' 0.05(2) 0.055(18) 0.14(4) 0.04(2) 0.07(2) 0.021(16)
Cl39 0.089(7) 0.072(6) 0.160(11) -0.004(6) 0.007(7) -0.038(5)
C2S 0.074(8) 0.114(10) 0.098(9) 0.013(8) -0.027(7) -0.039(7)
Cl8 0.103(4) 0.101(4) 0.157(6) 0.010(4) -0.001(4) -0.042(3)
Cl9 0.102(5) 0.273(12) 0.088(4) 0.022(5) 0.004(3) -0.058(6)
Cl10 0.075(3) 0.126(4) 0.147(6) 0.023(4) -0.048(3) -0.038(3)
Cl28 0.075(11) 0.16(2) 0.24(3) -0.09(2) 0.003(14) -0.008(11)
Cl29 0.29(4) 0.48(7) 0.15(2) -0.07(3) -0.02(2) -0.27(5)
Cl30 0.26(3) 0.088(13) 0.43(6) 0.09(2) -0.19(4) -0.091(17)

_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 2.013(6) . ?
Pd1 N1 2.105(6) . ?
Pd1 P1 2.2653(17) . ?
Pd1 Cl1 2.4002(18) . ?
Pd2 C3 1.984(6) . ?
Pd2 N2 2.020(6) . ?
Pd2 Cl2 2.3216(18) . ?
Pd2 Cl2 2.4520(17) 2_385 ?
Pd3 C41 2.026(7) . ?
Pd3 N3 2.086(6) . ?
Pd3 P2 2.2567(19) . ?
Pd3 Cl3 2.3833(19) . ?
Pd4 C43 1.980(7) . ?
Pd4 N4 2.021(6) . ?
Pd4 Cl4 2.3220(17) 2_566 ?
Pd4 Cl4 2.4575(18) . ?
Cl2 Pd2 2.4520(17) 2_385 ?
Cl4 Pd4 2.3220(17) 2_566 ?
P1 C25 1.817(7) . ?
P1 C31 1.819(7) . ?
P1 C19 1.822(7) . ?
P2 C59 1.817(8) . ?
P2 C65 1.816(8) . ?
P2 C71 1.824(7) . ?
N1 C7 1.290(9) . ?
N1 C9 1.474(8) . ?
N2 C8 1.285(9) . ?
N2 C14 1.461(8) . ?
N3 C47 1.281(10) . ?
N3 C49 1.473(9) . ?
N4 C48 1.285(9) . ?
N4 C54 1.466(9) . ?
O1 C13 1.369(13) . ?
O1 C10A 1.429(15) . ?
O1 C10 1.438(14) . ?
O2 C18 1.373(14) . ?
O2 C15 1.462(11) . ?
O3 C50 1.345(12) . ?
O3 C53 1.451(14) . ?
C1 C2 1.395(9) . ?
C1 C6 1.440(9) . ?
C2 C3 1.397(9) . ?
C3 C4 1.410(9) . ?
C4 C5 1.407(9) . ?
C4 C8 1.438(9) . ?
C5 C6 1.384(9) . ?
C6 C7 1.441(9) . ?
C9 C10 1.480(14) . ?
C9 C10A 1.531(14) . ?
C12 C13 1.449(16) . ?
C12 C11A 1.490(18) . ?
C12 C11 1.506(17) . ?
C14 C15 1.518(11) . ?
C15 C16 1.506(11) . ?
C16 C17 1.521(16) . ?
C17 C18 1.456(16) . ?
C19 C20 1.350(11) . ?
C19 C24 1.392(11) . ?
C20 C21 1.418(11) . ?
C21 C22 1.344(15) . ?
C22 C23 1.350(16) . ?
C23 C24 1.393(12) . ?
C25 C30 1.385(10) . ?
C25 C26 1.389(9) . ?
C26 C27 1.392(11) . ?
C27 C28 1.378(13) . ?
C28 C29 1.392(12) . ?
C29 C30 1.387(11) . ?
C31 C36 1.384(10) . ?
C31 C32 1.384(11) . ?
C32 C33 1.386(12) . ?
C33 C34 1.365(16) . ?
C34 C35 1.357(15) . ?
C35 C36 1.406(13) . ?
C41 C42 1.398(9) . ?
C41 C46 1.421(9) . ?
C42 C43 1.392(9) . ?
C43 C44 1.419(9) . ?
C44 C45 1.390(10) . ?
C44 C48 1.435(10) . ?
C45 C46 1.389(10) . ?
C46 C47 1.447(10) . ?
C49 C50 1.555(14) . ?
C51 C50 1.507(15) . ?
C51 C52 1.515(15) . ?
C52 C53 1.479(15) . ?
C54 C58 1.547(14) . ?
C55 C58 1.517(12) . ?
C55 C56 1.554(14) . ?
C56 C57 1.585(19) . ?
C57 O4 1.392(15) . ?
C58 O4 1.466(12) . ?
C59 C60 1.388(12) . ?
C59 C64 1.405(12) . ?
C60 C61 1.360(13) . ?
C61 C62 1.369(16) . ?
C62 C63 1.390(16) . ?
C63 C64 1.386(13) . ?
C65 C70 1.387(11) . ?
C65 C66 1.404(11) . ?
C66 C67 1.375(12) . ?
C67 C68 1.393(15) . ?
C68 C69 1.371(15) . ?
C69 C70 1.372(13) . ?
C71 C72 1.373(12) . ?
C71 C76 1.375(12) . ?
C72 C73 1.373(13) . ?
C73 C74 1.374(16) . ?
C74 C75 1.348(16) . ?
C75 C76 1.405(12) . ?
C1S Cl5 1.736(9) . ?
C1S Cl7 1.740(11) . ?
C1S Cl6 1.745(10) . ?
C3S Cl13 1.702(10) . ?
C3S Cl12 1.728(11) . ?
C3S Cl11 1.754(10) . ?
C4S Cl15 1.732(9) . ?
C4S Cl16 1.732(9) . ?
C4S Cl14 1.735(9) . ?
C6S Cl20 1.642(12) . ?
C6S Cl22 1.738(13) . ?
C6S Cl21 1.743(14) . ?
C10 C11 1.529(14) . ?
C11A C10A 1.522(15) . ?
Cl17 C5S 1.743(12) . ?
Cl17 C5' 1.768(16) . ?
Cl18 C5S 1.718(12) . ?
Cl18 C5' 1.748(16) . ?
C5S Cl19 1.741(13) . ?
C5' Cl39 1.760(18) . ?
C2S Cl29 1.682(17) . ?
C2S Cl28 1.701(15) . ?
C2S Cl8 1.732(11) . ?
C2S Cl9 1.738(11) . ?
C2S Cl30 1.738(15) . ?
C2S Cl10 1.754(10) . ?

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 N1 81.8(2) . . ?
C1 Pd1 P1 94.11(19) . . ?
N1 Pd1 P1 175.58(17) . . ?
C1 Pd1 Cl1 171.2(2) . . ?
N1 Pd1 Cl1 91.22(16) . . ?
P1 Pd1 Cl1 92.68(7) . . ?
C3 Pd2 N2 81.8(2) . . ?
C3 Pd2 Cl2 96.0(2) . . ?
N2 Pd2 Cl2 177.60(17) . . ?
C3 Pd2 Cl2 177.7(2) . 2_385 ?
N2 Pd2 Cl2 96.58(16) . 2_385 ?
Cl2 Pd2 Cl2 85.68(6) . 2_385 ?
C41 Pd3 N3 81.1(3) . . ?
C41 Pd3 P2 95.94(19) . . ?
N3 Pd3 P2 177.01(18) . . ?
C41 Pd3 Cl3 164.7(2) . . ?
N3 Pd3 Cl3 91.79(18) . . ?
P2 Pd3 Cl3 91.19(7) . . ?
C43 Pd4 N4 81.6(3) . . ?
C43 Pd4 Cl4 95.91(19) . 2_566 ?
N4 Pd4 Cl4 177.22(19) . 2_566 ?
C43 Pd4 Cl4 177.5(2) . . ?
N4 Pd4 Cl4 96.06(18) . . ?
Cl4 Pd4 Cl4 86.39(6) 2_566 . ?
Pd2 Cl2 Pd2 94.32(6) . 2_385 ?
Pd4 Cl4 Pd4 93.61(6) 2_566 . ?
C25 P1 C31 108.4(3) . . ?
C25 P1 C19 105.3(3) . . ?
C31 P1 C19 98.6(3) . . ?
C25 P1 Pd1 108.2(2) . . ?
C31 P1 Pd1 118.6(2) . . ?
C19 P1 Pd1 116.6(2) . . ?
C59 P2 C65 108.4(4) . . ?
C59 P2 C71 99.3(3) . . ?
C65 P2 C71 106.2(4) . . ?
C59 P2 Pd3 118.2(3) . . ?
C65 P2 Pd3 108.0(2) . . ?
C71 P2 Pd3 115.9(3) . . ?
C7 N1 C9 119.4(6) . . ?
C7 N1 Pd1 112.6(4) . . ?
C9 N1 Pd1 128.0(5) . . ?
C8 N2 C14 119.4(6) . . ?
C8 N2 Pd2 114.8(5) . . ?
C14 N2 Pd2 125.7(5) . . ?
C47 N3 C49 119.5(7) . . ?
C47 N3 Pd3 113.3(5) . . ?
C49 N3 Pd3 127.0(6) . . ?
C48 N4 C54 120.1(6) . . ?
C48 N4 Pd4 114.4(5) . . ?
C54 N4 Pd4 125.5(5) . . ?
C13 O1 C10A 99.4(14) . . ?
C13 O1 C10 111.2(9) . . ?
C10A O1 C10 59.6(10) . . ?
C18 O2 C15 109.9(11) . . ?
C50 O3 C53 109.9(12) . . ?
C2 C1 C6 116.6(6) . . ?
C2 C1 Pd1 132.6(5) . . ?
C6 C1 Pd1 110.8(5) . . ?
C1 C2 C3 122.1(6) . . ?
C2 C3 C4 119.8(6) . . ?
C2 C3 Pd2 128.7(5) . . ?
C4 C3 Pd2 111.5(5) . . ?
C5 C4 C3 120.0(6) . . ?
C5 C4 C8 124.4(6) . . ?
C3 C4 C8 115.6(6) . . ?
C6 C5 C4 119.2(6) . . ?
C5 C6 C1 122.4(6) . . ?
C5 C6 C7 121.0(6) . . ?
C1 C6 C7 116.6(6) . . ?
N1 C7 C6 118.1(6) . . ?
N2 C8 C4 116.3(6) . . ?
N1 C9 C10 113.9(8) . . ?
N1 C9 C10A 117.1(8) . . ?
C10 C9 C10A 56.5(9) . . ?
C13 C12 C11A 99.7(18) . . ?
C13 C12 C11 103.6(15) . . ?
C11A C12 C11 60.3(16) . . ?
O1 C13 C12 110.7(13) . . ?
N2 C14 C15 110.8(7) . . ?
O2 C15 C16 109.7(9) . . ?
O2 C15 C14 109.7(8) . . ?
C16 C15 C14 109.2(9) . . ?
C15 C16 C17 100.4(10) . . ?
C18 C17 C16 111.0(13) . . ?
O2 C18 C17 108.0(14) . . ?
C20 C19 C24 119.4(7) . . ?
C20 C19 P1 124.4(6) . . ?
C24 C19 P1 116.0(6) . . ?
C19 C20 C21 120.3(9) . . ?
C22 C21 C20 119.5(9) . . ?
C21 C22 C23 120.9(9) . . ?
C22 C23 C24 120.5(10) . . ?
C23 C24 C19 119.3(9) . . ?
C30 C25 C26 119.3(7) . . ?
C30 C25 P1 116.6(5) . . ?
C26 C25 P1 123.9(6) . . ?
C25 C26 C27 120.1(8) . . ?
C28 C27 C26 120.6(8) . . ?
C27 C28 C29 119.2(8) . . ?
C30 C29 C28 120.4(8) . . ?
C25 C30 C29 120.3(7) . . ?
C36 C31 C32 119.0(8) . . ?
C36 C31 P1 120.3(6) . . ?
C32 C31 P1 120.5(6) . . ?
C33 C32 C31 120.6(9) . . ?
C34 C33 C32 120.4(10) . . ?
C35 C34 C33 119.9(9) . . ?
C34 C35 C36 120.9(9) . . ?
C31 C36 C35 119.3(9) . . ?
C42 C41 C46 117.8(6) . . ?
C42 C41 Pd3 131.3(5) . . ?
C46 C41 Pd3 110.6(5) . . ?
C43 C42 C41 121.1(6) . . ?
C42 C43 C44 119.5(6) . . ?
C42 C43 Pd4 128.3(5) . . ?
C44 C43 Pd4 112.3(5) . . ?
C45 C44 C43 120.8(7) . . ?
C45 C44 C48 125.0(6) . . ?
C43 C44 C48 114.2(6) . . ?
C46 C45 C44 118.5(6) . . ?
C45 C46 C41 122.3(7) . . ?
C45 C46 C47 121.4(7) . . ?
C41 C46 C47 116.2(7) . . ?
N3 C47 C46 117.7(7) . . ?
N4 C48 C44 117.5(6) . . ?
N3 C49 C50 106.9(7) . . ?
C50 C51 C52 97.3(13) . . ?
C53 C52 C51 100.8(12) . . ?
O3 C53 C52 103.6(13) . . ?
N4 C54 C58 110.3(7) . . ?
C58 C55 C56 101.8(12) . . ?
C55 C56 C57 101.4(16) . . ?
O4 C57 C56 105.8(15) . . ?
O4 C58 C55 105.0(9) . . ?
O4 C58 C54 98.3(10) . . ?
C55 C58 C54 111.0(12) . . ?
C60 C59 C64 119.4(8) . . ?
C60 C59 P2 120.3(7) . . ?
C64 C59 P2 120.0(7) . . ?
C61 C60 C59 120.8(9) . . ?
C60 C61 C62 120.1(10) . . ?
C61 C62 C63 120.9(10) . . ?
C64 C63 C62 119.5(10) . . ?
C63 C64 C59 119.2(10) . . ?
C70 C65 C66 119.3(7) . . ?
C70 C65 P2 123.8(6) . . ?
C66 C65 P2 116.5(6) . . ?
C67 C66 C65 120.1(9) . . ?
C66 C67 C68 120.2(9) . . ?
C69 C68 C67 118.8(9) . . ?
C68 C69 C70 122.1(10) . . ?
C69 C70 C65 119.3(9) . . ?
C72 C71 C76 118.8(8) . . ?
C72 C71 P2 118.2(7) . . ?
C76 C71 P2 122.8(7) . . ?
C73 C72 C71 120.8(10) . . ?
C74 C73 C72 120.3(11) . . ?
C75 C74 C73 120.0(9) . . ?
C74 C75 C76 120.0(10) . . ?
C71 C76 C75 120.1(10) . . ?
Cl5 C1S Cl7 108.0(7) . . ?
Cl5 C1S Cl6 109.5(6) . . ?
Cl7 C1S Cl6 112.8(7) . . ?
Cl13 C3S Cl12 112.8(7) . . ?
Cl13 C3S Cl11 112.4(7) . . ?
Cl12 C3S Cl11 106.9(7) . . ?
Cl15 C4S Cl16 112.3(6) . . ?
Cl15 C4S Cl14 111.3(6) . . ?
Cl16 C4S Cl14 108.7(5) . . ?
Cl20 C6S Cl22 117.1(9) . . ?
Cl20 C6S Cl21 113.7(8) . . ?
Cl22 C6S Cl21 108.3(9) . . ?
O1 C10 C9 110.9(10) . . ?
O1 C10 C11 104.2(12) . . ?
C9 C10 C11 112.6(13) . . ?
C12 C11 C10 106.7(13) . . ?
C12 C11A C10A 102.8(15) . . ?
O1 C10A C11A 108.9(14) . . ?
O1 C10A C9 108.5(11) . . ?
C11A C10A C9 109.6(14) . . ?
C57 O4 C58 99.6(13) . . ?
O3 C50 C51 105.2(12) . . ?
O3 C50 C49 110.0(11) . . ?
C51 C50 C49 112.1(14) . . ?
C5S Cl17 C5' 38.4(8) . . ?
C5S Cl18 C5' 38.9(8) . . ?
Cl18 C5S Cl19 110.4(9) . . ?
Cl18 C5S Cl17 111.9(8) . . ?
Cl19 C5S Cl17 114.2(8) . . ?
Cl18 C5' Cl39 99.8(12) . . ?
Cl18 C5' Cl17 109.3(12) . . ?
Cl39 C5' Cl17 117.2(15) . . ?
Cl29 C2S Cl28 116(2) . . ?
Cl29 C2S Cl8 66.6(17) . . ?
Cl28 C2S Cl8 128.2(11) . . ?
Cl29 C2S Cl9 146.8(15) . . ?
Cl28 C2S Cl9 37.5(11) . . ?
Cl8 C2S Cl9 110.6(7) . . ?
Cl29 C2S Cl30 113(2) . . ?
Cl28 C2S Cl30 107.8(18) . . ?
Cl8 C2S Cl30 46.4(14) . . ?
Cl9 C2S Cl30 73.6(16) . . ?
Cl29 C2S Cl10 49.3(18) . . ?
Cl28 C2S Cl10 70.4(13) . . ?
Cl8 C2S Cl10 108.7(6) . . ?
Cl9 C2S Cl10 107.6(7) . . ?
Cl30 C2S Cl10 148.5(12) . . ?

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
C3 Pd2 Cl2 Pd2 -178.5(2) . . . 2_385 ?
N2 Pd2 Cl2 Pd2 161(5) . . . 2_385 ?
Cl2 Pd2 Cl2 Pd2 0.0 2_385 . . 2_385 ?
C43 Pd4 Cl4 Pd4 -156(5) . . . 2_566 ?
N4 Pd4 Cl4 Pd4 -178.7(2) . . . 2_566 ?
Cl4 Pd4 Cl4 Pd4 0.0 2_566 . . 2_566 ?
C1 Pd1 P1 C25 70.1(3) . . . . ?
N1 Pd1 P1 C25 48(2) . . . . ?
Cl1 Pd1 P1 C25 -104.2(2) . . . . ?
C1 Pd1 P1 C31 -53.8(3) . . . . ?
N1 Pd1 P1 C31 -76(2) . . . . ?
Cl1 Pd1 P1 C31 131.8(3) . . . . ?
C1 Pd1 P1 C19 -171.5(3) . . . . ?
N1 Pd1 P1 C19 166(2) . . . . ?
Cl1 Pd1 P1 C19 14.2(3) . . . . ?
C41 Pd3 P2 C59 51.7(4) . . . . ?
N3 Pd3 P2 C59 44(4) . . . . ?
Cl3 Pd3 P2 C59 -141.9(3) . . . . ?
C41 Pd3 P2 C65 -71.8(3) . . . . ?
N3 Pd3 P2 C65 -79(4) . . . . ?
Cl3 Pd3 P2 C65 94.7(3) . . . . ?
C41 Pd3 P2 C71 169.4(4) . . . . ?
N3 Pd3 P2 C71 162(4) . . . . ?
Cl3 Pd3 P2 C71 -24.2(3) . . . . ?
C1 Pd1 N1 C7 -2.7(6) . . . . ?
P1 Pd1 N1 C7 20(3) . . . . ?
Cl1 Pd1 N1 C7 171.8(6) . . . . ?
C1 Pd1 N1 C9 177.7(7) . . . . ?
P1 Pd1 N1 C9 -160(2) . . . . ?
Cl1 Pd1 N1 C9 -7.7(7) . . . . ?
C3 Pd2 N2 C8 0.7(6) . . . . ?
Cl2 Pd2 N2 C8 22(5) . . . . ?
Cl2 Pd2 N2 C8 -177.7(5) 2_385 . . . ?
C3 Pd2 N2 C14 -176.0(7) . . . . ?
Cl2 Pd2 N2 C14 -155(4) . . . . ?
Cl2 Pd2 N2 C14 5.6(6) 2_385 . . . ?
C41 Pd3 N3 C47 7.9(6) . . . . ?
P2 Pd3 N3 C47 16(4) . . . . ?
Cl3 Pd3 N3 C47 -158.5(6) . . . . ?
C41 Pd3 N3 C49 -167.8(7) . . . . ?
P2 Pd3 N3 C49 -160(4) . . . . ?
Cl3 Pd3 N3 C49 25.8(7) . . . . ?
C43 Pd4 N4 C48 -2.0(6) . . . . ?
Cl4 Pd4 N4 C48 25(5) 2_566 . . . ?
Cl4 Pd4 N4 C48 177.1(6) . . . . ?
C43 Pd4 N4 C54 175.5(8) . . . . ?
Cl4 Pd4 N4 C54 -157(4) 2_566 . . . ?
Cl4 Pd4 N4 C54 -5.5(7) . . . . ?
N1 Pd1 C1 C2 -179.3(8) . . . . ?
P1 Pd1 C1 C2 2.4(7) . . . . ?
Cl1 Pd1 C1 C2 142.6(10) . . . . ?
N1 Pd1 C1 C6 2.4(5) . . . . ?
P1 Pd1 C1 C6 -176.0(5) . . . . ?
Cl1 Pd1 C1 C6 -35.8(17) . . . . ?
C6 C1 C2 C3 -0.2(11) . . . . ?
Pd1 C1 C2 C3 -178.5(6) . . . . ?
C1 C2 C3 C4 0.4(11) . . . . ?
C1 C2 C3 Pd2 -179.4(6) . . . . ?
N2 Pd2 C3 C2 178.9(7) . . . . ?
Cl2 Pd2 C3 C2 -0.2(7) . . . . ?
Cl2 Pd2 C3 C2 -138(5) 2_385 . . . ?
N2 Pd2 C3 C4 -0.9(5) . . . . ?
Cl2 Pd2 C3 C4 180.0(5) . . . . ?
Cl2 Pd2 C3 C4 42(5) 2_385 . . . ?
C2 C3 C4 C5 -0.3(11) . . . . ?
Pd2 C3 C4 C5 179.6(6) . . . . ?
C2 C3 C4 C8 -178.9(7) . . . . ?
Pd2 C3 C4 C8 0.9(8) . . . . ?
C3 C4 C5 C6 0.1(11) . . . . ?
C8 C4 C5 C6 178.5(7) . . . . ?
C4 C5 C6 C1 0.1(11) . . . . ?
C4 C5 C6 C7 -179.4(7) . . . . ?
C2 C1 C6 C5 0.0(11) . . . . ?
Pd1 C1 C6 C5 178.7(6) . . . . ?
C2 C1 C6 C7 179.5(7) . . . . ?
Pd1 C1 C6 C7 -1.9(8) . . . . ?
C9 N1 C7 C6 -177.9(7) . . . . ?
Pd1 N1 C7 C6 2.5(9) . . . . ?
C5 C6 C7 N1 179.0(7) . . . . ?
C1 C6 C7 N1 -0.5(11) . . . . ?
C14 N2 C8 C4 176.5(7) . . . . ?
Pd2 N2 C8 C4 -0.4(9) . . . . ?
C5 C4 C8 N2 -178.9(7) . . . . ?
C3 C4 C8 N2 -0.4(10) . . . . ?
C7 N1 C9 C10 66.1(12) . . . . ?
Pd1 N1 C9 C10 -114.4(9) . . . . ?
C7 N1 C9 C10A 3.0(13) . . . . ?
Pd1 N1 C9 C10A -177.5(9) . . . . ?
C10A O1 C13 C12 -44(3) . . . . ?
C10 O1 C13 C12 17(3) . . . . ?
C11A C12 C13 O1 42(3) . . . . ?
C11 C12 C13 O1 -20(3) . . . . ?
C8 N2 C14 C15 -93.9(9) . . . . ?
Pd2 N2 C14 C15 82.6(8) . . . . ?
C18 O2 C15 C16 -11(2) . . . . ?
C18 O2 C15 C14 109.2(16) . . . . ?
N2 C14 C15 O2 62.8(10) . . . . ?
N2 C14 C15 C16 -177.0(8) . . . . ?
O2 C15 C16 C17 9.5(16) . . . . ?
C14 C15 C16 C17 -110.6(14) . . . . ?
C15 C16 C17 C18 -6(2) . . . . ?
C15 O2 C18 C17 7(3) . . . . ?
C16 C17 C18 O2 0(3) . . . . ?
C25 P1 C19 C20 -8.0(8) . . . . ?
C31 P1 C19 C20 103.9(8) . . . . ?
Pd1 P1 C19 C20 -127.9(7) . . . . ?
C25 P1 C19 C24 177.2(6) . . . . ?
C31 P1 C19 C24 -70.9(7) . . . . ?
Pd1 P1 C19 C24 57.2(7) . . . . ?
C24 C19 C20 C21 0.5(14) . . . . ?
P1 C19 C20 C21 -174.3(7) . . . . ?
C19 C20 C21 C22 -1.1(16) . . . . ?
C20 C21 C22 C23 0.3(18) . . . . ?
C21 C22 C23 C24 1.0(18) . . . . ?
C22 C23 C24 C19 -1.5(16) . . . . ?
C20 C19 C24 C23 0.8(13) . . . . ?
P1 C19 C24 C23 176.0(7) . . . . ?
C31 P1 C25 C30 -167.6(5) . . . . ?
C19 P1 C25 C30 -62.9(6) . . . . ?
Pd1 P1 C25 C30 62.5(5) . . . . ?
C31 P1 C25 C26 18.0(6) . . . . ?
C19 P1 C25 C26 122.7(6) . . . . ?
Pd1 P1 C25 C26 -111.9(5) . . . . ?
C30 C25 C26 C27 -1.7(10) . . . . ?
P1 C25 C26 C27 172.5(6) . . . . ?
C25 C26 C27 C28 1.0(12) . . . . ?
C26 C27 C28 C29 0.9(13) . . . . ?
C27 C28 C29 C30 -2.0(12) . . . . ?
C26 C25 C30 C29 0.7(10) . . . . ?
P1 C25 C30 C29 -174.0(5) . . . . ?
C28 C29 C30 C25 1.2(11) . . . . ?
C25 P1 C31 C36 51.4(7) . . . . ?
C19 P1 C31 C36 -58.0(7) . . . . ?
Pd1 P1 C31 C36 175.2(5) . . . . ?
C25 P1 C31 C32 -133.9(6) . . . . ?
C19 P1 C31 C32 116.7(6) . . . . ?
Pd1 P1 C31 C32 -10.1(7) . . . . ?
C36 C31 C32 C33 -0.6(12) . . . . ?
P1 C31 C32 C33 -175.5(7) . . . . ?
C31 C32 C33 C34 -0.1(15) . . . . ?
C32 C33 C34 C35 1.0(16) . . . . ?
C33 C34 C35 C36 -1.2(16) . . . . ?
C32 C31 C36 C35 0.5(11) . . . . ?
P1 C31 C36 C35 175.3(6) . . . . ?
C34 C35 C36 C31 0.4(13) . . . . ?
N3 Pd3 C41 C42 177.3(8) . . . . ?
P2 Pd3 C41 C42 -2.3(7) . . . . ?
Cl3 Pd3 C41 C42 -119.6(8) . . . . ?
N3 Pd3 C41 C46 -9.4(5) . . . . ?
P2 Pd3 C41 C46 171.0(5) . . . . ?
Cl3 Pd3 C41 C46 53.6(11) . . . . ?
C46 C41 C42 C43 1.6(11) . . . . ?
Pd3 C41 C42 C43 174.4(6) . . . . ?
C41 C42 C43 C44 -2.1(11) . . . . ?
C41 C42 C43 Pd4 177.3(6) . . . . ?
N4 Pd4 C43 C42 -178.8(7) . . . . ?
Cl4 Pd4 C43 C42 2.5(7) 2_566 . . . ?
Cl4 Pd4 C43 C42 159(4) . . . . ?
N4 Pd4 C43 C44 0.7(5) . . . . ?
Cl4 Pd4 C43 C44 -178.1(5) 2_566 . . . ?
Cl4 Pd4 C43 C44 -22(5) . . . . ?
C42 C43 C44 C45 0.9(11) . . . . ?
Pd4 C43 C44 C45 -178.6(6) . . . . ?
C42 C43 C44 C48 -179.9(7) . . . . ?
Pd4 C43 C44 C48 0.6(9) . . . . ?
C43 C44 C45 C46 0.8(12) . . . . ?
C48 C44 C45 C46 -178.2(8) . . . . ?
C44 C45 C46 C41 -1.4(12) . . . . ?
C44 C45 C46 C47 174.1(8) . . . . ?
C42 C41 C46 C45 0.3(12) . . . . ?
Pd3 C41 C46 C45 -174.0(6) . . . . ?
C42 C41 C46 C47 -175.5(7) . . . . ?
Pd3 C41 C46 C47 10.2(9) . . . . ?
C49 N3 C47 C46 171.6(7) . . . . ?
Pd3 N3 C47 C46 -4.4(10) . . . . ?
C45 C46 C47 N3 -179.8(8) . . . . ?
C41 C46 C47 N3 -3.9(11) . . . . ?
C54 N4 C48 C44 -174.7(8) . . . . ?
Pd4 N4 C48 C44 2.9(10) . . . . ?
C45 C44 C48 N4 176.8(8) . . . . ?
C43 C44 C48 N4 -2.3(11) . . . . ?
C47 N3 C49 C50 -85.8(12) . . . . ?
Pd3 N3 C49 C50 89.6(10) . . . . ?
C50 C51 C52 C53 46(2) . . . . ?
C50 O3 C53 C52 7(2) . . . . ?
C51 C52 C53 O3 -34(2) . . . . ?
C48 N4 C54 C58 92.4(10) . . . . ?
Pd4 N4 C54 C58 -84.9(9) . . . . ?
C58 C55 C56 C57 -5(2) . . . . ?
C55 C56 C57 O4 -26(3) . . . . ?
C56 C55 C58 O4 34(2) . . . . ?
C56 C55 C58 C54 139.2(15) . . . . ?
N4 C54 C58 O4 -74.3(10) . . . . ?
N4 C54 C58 C55 176.0(9) . . . . ?
C65 P2 C59 C60 136.1(6) . . . . ?
C71 P2 C59 C60 -113.3(6) . . . . ?
Pd3 P2 C59 C60 12.9(7) . . . . ?
C65 P2 C59 C64 -50.5(7) . . . . ?
C71 P2 C59 C64 60.2(7) . . . . ?
Pd3 P2 C59 C64 -173.7(5) . . . . ?
C64 C59 C60 C61 1.3(12) . . . . ?
P2 C59 C60 C61 174.8(6) . . . . ?
C59 C60 C61 C62 -0.3(13) . . . . ?
C60 C61 C62 C63 0.0(14) . . . . ?
C61 C62 C63 C64 -0.8(14) . . . . ?
C62 C63 C64 C59 1.9(13) . . . . ?
C60 C59 C64 C63 -2.1(12) . . . . ?
P2 C59 C64 C63 -175.6(6) . . . . ?
C59 P2 C65 C70 -17.9(7) . . . . ?
C71 P2 C65 C70 -123.9(7) . . . . ?
Pd3 P2 C65 C70 111.3(6) . . . . ?
C59 P2 C65 C66 169.0(5) . . . . ?
C71 P2 C65 C66 63.0(6) . . . . ?
Pd3 P2 C65 C66 -61.8(6) . . . . ?
C70 C65 C66 C67 0.0(11) . . . . ?
P2 C65 C66 C67 173.5(6) . . . . ?
C65 C66 C67 C68 1.6(12) . . . . ?
C66 C67 C68 C69 -2.8(14) . . . . ?
C67 C68 C69 C70 2.4(15) . . . . ?
C68 C69 C70 C65 -0.8(14) . . . . ?
C66 C65 C70 C69 -0.4(12) . . . . ?
P2 C65 C70 C69 -173.4(7) . . . . ?
C59 P2 C71 C72 76.6(8) . . . . ?
C65 P2 C71 C72 -171.0(7) . . . . ?
Pd3 P2 C71 C72 -51.2(8) . . . . ?
C59 P2 C71 C76 -97.9(8) . . . . ?
C65 P2 C71 C76 14.5(9) . . . . ?
Pd3 P2 C71 C76 134.3(7) . . . . ?
C76 C71 C72 C73 1.9(14) . . . . ?
P2 C71 C72 C73 -172.9(8) . . . . ?
C71 C72 C73 C74 -0.9(17) . . . . ?
C72 C73 C74 C75 -0.9(18) . . . . ?
C73 C74 C75 C76 1.7(18) . . . . ?
C72 C71 C76 C75 -1.1(14) . . . . ?
P2 C71 C76 C75 173.4(8) . . . . ?
C74 C75 C76 C71 -0.7(17) . . . . ?
C13 O1 C10 C9 -128.1(17) . . . . ?
C10A O1 C10 C9 -39.5(10) . . . . ?
C13 O1 C10 C11 -7(2) . . . . ?
C10A O1 C10 C11 81.9(14) . . . . ?
N1 C9 C10 O1 -69.8(12) . . . . ?
C10A C9 C10 O1 37.9(10) . . . . ?
N1 C9 C10 C11 173.9(12) . . . . ?
C10A C9 C10 C11 -78.4(14) . . . . ?
C13 C12 C11 C10 15(3) . . . . ?
C11A C12 C11 C10 -78.8(15) . . . . ?
O1 C10 C11 C12 -5(2) . . . . ?
C9 C10 C11 C12 114.8(18) . . . . ?
C13 C12 C11A C10A -20(3) . . . . ?
C11 C12 C11A C10A 79.8(16) . . . . ?
C13 O1 C10A C11A 27.2(19) . . . . ?
C10 O1 C10A C11A -82.0(16) . . . . ?
C13 O1 C10A C9 146.4(13) . . . . ?
C10 O1 C10A C9 37.3(9) . . . . ?
C12 C11A C10A O1 -3(2) . . . . ?
C12 C11A C10A C9 -122.0(19) . . . . ?
N1 C9 C10A O1 64.5(14) . . . . ?
C10 C9 C10A O1 -37.5(10) . . . . ?
N1 C9 C10A C11A -176.7(14) . . . . ?
C10 C9 C10A C11A 81.3(16) . . . . ?
C56 C57 O4 C58 47(2) . . . . ?
C55 C58 O4 C57 -51.5(18) . . . . ?
C54 C58 O4 C57 -166.0(13) . . . . ?
C53 O3 C50 C51 23(2) . . . . ?
C53 O3 C50 C49 144.2(15) . . . . ?
C52 C51 C50 O3 -42.9(19) . . . . ?
C52 C51 C50 C49 -162.4(13) . . . . ?
N3 C49 C50 O3 175.1(13) . . . . ?
N3 C49 C50 C51 -68.2(15) . . . . ?
C5' Cl18 C5S Cl19 -170(2) . . . . ?
C5' Cl18 C5S Cl17 61.2(16) . . . . ?
C5' Cl17 C5S Cl18 -61.2(16) . . . . ?
C5' Cl17 C5S Cl19 172(3) . . . . ?
C5S Cl18 C5' Cl39 178(3) . . . . ?
C5S Cl18 C5' Cl17 -58.1(10) . . . . ?
C5S Cl17 C5' Cl18 57.8(11) . . . . ?
C5S Cl17 C5' Cl39 170(3) . . . . ?

_diffrn_measured_fraction_theta_max    0.960
_diffrn_reflns_theta_full              28.29
_diffrn_measured_fraction_theta_full   0.960
_refine_diff_density_max    1.511
_refine_diff_density_min   -1.323
_refine_diff_density_rms    0.155