#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:31:00 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179688 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/10/7001069.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7001069
loop_
_publ_author_name
'Koshevoy, Igor O.'
'Gutierrez-Puebla, Enrique'
'Lahuerta, Pascual'
'Monge, Angeles'
'Ubeda, M.Angeles'
'Sanaú, Mercedes'
_publ_section_title
;
 Isolation of enantiomerically pure organometallic palladium compounds:
 synthesis of the triangles prepared from enantiopure
 [cis-Pd2(C6H4PPh2)2(NCCH3)4]2+
;
_journal_issue                   16
_journal_name_full               'Dalton Transactions'
_journal_page_first              2993
_journal_page_last               2998
_journal_paper_doi               10.1039/b816803b
_journal_year                    2009
_chemical_formula_sum            'C132 H96 O12 P6 Pd6'
_chemical_formula_weight         2698.31
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9708(11)
_cell_length_b                   17.5801(14)
_cell_length_c                   62.865(5)
_cell_measurement_reflns_used    7820
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      21.21
_cell_measurement_theta_min      2.74
_cell_volume                     15440(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1320
_diffrn_reflns_av_sigmaI/netI    0.1267
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       65
_diffrn_reflns_limit_l_min       -66
_diffrn_reflns_number            77734
_diffrn_reflns_theta_full        21.97
_diffrn_reflns_theta_max         21.97
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_T_max  0.9540
_exptl_absorpt_correction_T_min  0.7422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prismatic
_exptl_crystal_F_000             5400
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.889
_refine_diff_density_min         -1.210
_refine_diff_density_rms         0.197
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.11(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    costr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1363
_refine_ls_number_reflns         18797
_refine_ls_number_restraints     1365
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.1401
_refine_ls_R_factor_gt           0.1190
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1132P)²+247.4815P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2648
_refine_ls_wR_factor_ref         0.2753
_reflns_number_gt                15546
_reflns_number_total             18797
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b816803b.txt
_cod_data_source_block           enant2t
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7001069
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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 0.80786(11) -0.11245(9) 0.78660(2) 0.0212(4) Uani 1 1 d U . .
P1 P 0.7689(4) -0.0796(3) 0.75379(8) 0.0212(11) Uani 1 1 d U . .
O1 O 0.5783(9) -0.0735(7) 0.7958(2) 0.019(2) Uani 1 1 d U . .
C1 C 0.6311(15) -0.0252(11) 0.8012(3) 0.018(2) Uani 1 1 d U . .
Pd2 Pd 0.63685(11) -0.18163(9) 0.79063(2) 0.0194(4) Uani 1 1 d U . .
P2 P 0.7134(4) -0.2898(3) 0.78402(9) 0.0249(12) Uani 1 1 d U . .
O2 O 0.7221(9) -0.0229(8) 0.80165(19) 0.022(2) Uani 1 1 d U . .
C2 C 0.5839(15) 0.0472(11) 0.8121(3) 0.023(3) Uani 1 1 d U . .
Pd3 Pd 0.96983(14) -0.01591(10) 0.94848(3) 0.0355(5) Uani 1 1 d U . .
P3 P 1.0655(5) -0.1068(4) 0.96047(10) 0.0481(15) Uani 1 1 d U . .
O3 O 0.6789(10) -0.1753(7) 0.82422(18) 0.024(2) Uani 1 1 d U . .
C3 C 0.7637(16) -0.1701(13) 0.8300(3) 0.030(3) Uani 1 1 d U . .
Pd4 Pd 0.82015(14) -0.09557(10) 0.96334(3) 0.0354(5) Uani 1 1 d U . .
P4 P 0.8349(5) -0.0352(4) 0.99427(9) 0.0403(14) Uani 1 1 d U . .
O4 O 0.8363(10) -0.1524(8) 0.8176(2) 0.029(2) Uani 1 1 d U . .
C4 C 0.7902(17) -0.1664(14) 0.8536(3) 0.038(3) Uani 1 1 d U . .
Pd5 Pd 0.48811(12) 0.38558(9) 0.86352(2) 0.0240(4) Uani 1 1 d U . .
P5 P 0.4689(5) 0.4700(4) 0.88974(9) 0.0355(13) Uani 1 1 d U . .
O5 O 0.8129(12) -0.1474(9) 0.9331(2) 0.040(3) Uani 1 1 d U . .
C5 C 0.7196(18) -0.1700(13) 0.8677(3) 0.039(3) Uani 1 1 d U . .
H5 H 0.6566 -0.1794 0.8637 0.046 Uiso 1 1 calc R . .
Pd6 Pd 0.34303(12) 0.30620(9) 0.88088(2) 0.0263(4) Uani 1 1 d U . .
P6 P 0.2460(4) 0.3611(3) 0.85746(9) 0.0270(12) Uani 1 1 d U . .
O6 O 0.9356(11) -0.0745(9) 0.9196(2) 0.039(2) Uani 1 1 d U . .
C6 C 0.7464(18) -0.1583(13) 0.8899(3) 0.039(3) Uani 1 1 d U . .
H6 H 0.7003 -0.1614 0.9005 0.047 Uiso 1 1 calc R . .
O7 O 0.8686(12) 0.0658(9) 0.9388(2) 0.043(3) Uani 1 1 d U . .
C7 C 0.8386(18) -0.1431(13) 0.8950(3) 0.040(3) Uani 1 1 d U . .
O8 O 0.7395(11) -0.0035(9) 0.9478(3) 0.045(3) Uani 1 1 d U . .
C8 C 0.9082(18) -0.1401(14) 0.8798(4) 0.043(3) Uani 1 1 d U . .
H8 H 0.9712 -0.1292 0.8835 0.052 Uiso 1 1 calc R . .
O9 O 0.4424(11) 0.2619(9) 0.9017(2) 0.042(3) Uani 1 1 d U . .
C9 C 0.8825(18) -0.1540(14) 0.8579(4) 0.045(3) Uani 1 1 d U . .
H9 H 0.9286 -0.1544 0.8473 0.054 Uiso 1 1 calc R . .
O10 O 0.5685(10) 0.3098(9) 0.8835(2) 0.036(2) Uani 1 1 d U . .
C10 C 0.8685(18) -0.1206(14) 0.9170(3) 0.039(3) Uani 1 1 d U . .
O11 O 0.3981(10) 0.2236(7) 0.8578(2) 0.028(2) Uani 1 1 d U . .
C11 C 0.6646(15) -0.1329(11) 0.7451(3) 0.024(3) Uani 1 1 d U . .
O12 O 0.4975(10) 0.3002(7) 0.8400(2) 0.027(2) Uani 1 1 d U . .
C12 C 0.6076(15) -0.1723(12) 0.7587(3) 0.024(2) Uani 1 1 d U . .
C13 C 0.5211(16) -0.2035(12) 0.7519(3) 0.028(3) Uani 1 1 d U . .
H13 H 0.4795 -0.2250 0.7617 0.033 Uiso 1 1 calc R . .
C14 C 0.4966(15) -0.2029(12) 0.7305(3) 0.026(3) Uani 1 1 d U . .
H14 H 0.4408 -0.2264 0.7259 0.032 Uiso 1 1 calc R . .
C15 C 0.5550(14) -0.1677(12) 0.7168(3) 0.028(3) Uani 1 1 d U . .
H15 H 0.5403 -0.1673 0.7024 0.034 Uiso 1 1 calc R . .
C16 C 0.6403(15) -0.1305(11) 0.7243(3) 0.027(3) Uani 1 1 d U . .
H16 H 0.6791 -0.1045 0.7147 0.032 Uiso 1 1 calc R . .
C21 C 0.8522(15) -0.0863(12) 0.7320(3) 0.026(3) Uani 1 1 d U . .
C22 C 0.9030(15) -0.0276(14) 0.7245(3) 0.031(3) Uani 1 1 d U . .
H22 H 0.8925 0.0194 0.7309 0.037 Uiso 1 1 calc R . .
C23 C 0.9696(15) -0.0294(14) 0.7081(3) 0.036(3) Uani 1 1 d U . .
H23 H 0.9974 0.0139 0.7023 0.044 Uiso 1 1 calc R . .
C24 C 0.9909(15) -0.1046(13) 0.7011(3) 0.035(3) Uani 1 1 d U . .
H24 H 1.0354 -0.1122 0.6903 0.042 Uiso 1 1 calc R . .
C25 C 0.9496(15) -0.1610(13) 0.7095(3) 0.035(3) Uani 1 1 d U . .
H25 H 0.9665 -0.2093 0.7048 0.042 Uiso 1 1 calc R . .
C26 C 0.8824(15) -0.1558(13) 0.7250(3) 0.032(3) Uani 1 1 d U . .
H26 H 0.8566 -0.1999 0.7309 0.038 Uiso 1 1 calc R . .
C31 C 0.7368(10) 0.0208(5) 0.7535(2) 0.029(3) Uani 1 1 d GU . .
C32 C 0.7967(8) 0.0700(7) 0.7645(2) 0.034(3) Uani 1 1 d GU . .
H32 H 0.8475 0.0507 0.7724 0.040 Uiso 1 1 calc R . .
C33 C 0.7808(9) 0.1480(6) 0.7638(2) 0.035(3) Uani 1 1 d GU . .
H33 H 0.8209 0.1809 0.7712 0.042 Uiso 1 1 calc R . .
C34 C 0.7050(10) 0.1769(5) 0.7520(2) 0.039(3) Uani 1 1 d GU . .
H34 H 0.6944 0.2290 0.7514 0.047 Uiso 1 1 calc R . .
C35 C 0.6450(9) 0.1277(7) 0.7409(2) 0.037(3) Uani 1 1 d GU . .
H35 H 0.5943 0.1470 0.7330 0.044 Uiso 1 1 calc R . .
C36 C 0.6609(9) 0.0497(6) 0.7417(2) 0.032(3) Uani 1 1 d GU . .
H36 H 0.6208 0.0168 0.7343 0.038 Uiso 1 1 calc R . .
C41 C 0.8355(15) -0.2738(11) 0.7734(3) 0.026(3) Uani 1 1 d U . .
C42 C 0.8780(15) -0.2029(11) 0.7749(3) 0.025(2) Uani 1 1 d U . .
C43 C 0.9691(15) -0.1958(12) 0.7690(3) 0.030(3) Uani 1 1 d U . .
H43 H 0.9990 -0.1487 0.7701 0.036 Uiso 1 1 calc R . .
C44 C 1.0197(17) -0.2573(11) 0.7614(3) 0.030(3) Uani 1 1 d U . .
H44 H 1.0844 -0.2529 0.7581 0.036 Uiso 1 1 calc R . .
C45 C 0.9713(16) -0.3274(12) 0.7586(3) 0.031(3) Uani 1 1 d U . .
H45 H 1.0020 -0.3681 0.7521 0.037 Uiso 1 1 calc R . .
C46 C 0.8823(15) -0.3346(12) 0.7654(3) 0.030(3) Uani 1 1 d U . .
H46 H 0.8520 -0.3816 0.7648 0.036 Uiso 1 1 calc R . .
C51 C 0.6605(15) -0.3644(11) 0.7677(3) 0.028(3) Uani 1 1 d U . .
C52 C 0.6270(15) -0.4365(11) 0.7749(3) 0.027(3) Uani 1 1 d U . .
H52 H 0.6372 -0.4511 0.7889 0.032 Uiso 1 1 calc R . .
C53 C 0.5834(15) -0.4808(12) 0.7624(3) 0.031(3) Uani 1 1 d U . .
H53 H 0.5544 -0.5233 0.7684 0.037 Uiso 1 1 calc R . .
C54 C 0.5748(16) -0.4717(12) 0.7402(4) 0.033(3) Uani 1 1 d U . .
H54 H 0.5475 -0.5091 0.7316 0.040 Uiso 1 1 calc R . .
C55 C 0.6104(15) -0.4015(12) 0.7315(4) 0.034(3) Uani 1 1 d U . .
H55 H 0.6065 -0.3921 0.7170 0.041 Uiso 1 1 calc R . .
C56 C 0.6505(15) -0.3483(12) 0.7449(3) 0.030(3) Uani 1 1 d U . .
H56 H 0.6714 -0.3020 0.7395 0.036 Uiso 1 1 calc R . .
C61 C 0.7351(16) -0.3393(12) 0.8108(3) 0.029(3) Uani 1 1 d U . .
C62 C 0.8210(18) -0.3634(12) 0.8169(4) 0.039(3) Uani 1 1 d U . .
H62 H 0.8752 -0.3579 0.8085 0.047 Uiso 1 1 calc R . .
C63 C 0.8238(19) -0.3973(14) 0.8367(4) 0.050(4) Uani 1 1 d U . .
H63 H 0.8817 -0.4178 0.8412 0.059 Uiso 1 1 calc R . .
C64 C 0.7516(19) -0.4023(14) 0.8494(4) 0.047(4) Uani 1 1 d U . .
H64 H 0.7596 -0.4234 0.8628 0.056 Uiso 1 1 calc R . .
C65 C 0.6676(18) -0.3781(12) 0.8436(3) 0.038(4) Uani 1 1 d U . .
H65 H 0.6160 -0.3850 0.8527 0.046 Uiso 1 1 calc R . .
C66 C 0.6523(18) -0.3418(11) 0.8239(3) 0.033(3) Uani 1 1 d U . .
H66 H 0.5936 -0.3214 0.8199 0.040 Uiso 1 1 calc R . .
C67 C 1.118(2) -0.1607(16) 0.9383(4) 0.063(4) Uani 1 1 d U . .
C68 C 1.072(2) -0.2197(16) 0.9302(4) 0.064(4) Uani 1 1 d U . .
H68 H 1.0157 -0.2376 0.9363 0.077 Uiso 1 1 calc R . .
C69 C 1.112(2) -0.2555(17) 0.9116(5) 0.072(5) Uani 1 1 d U . .
H69 H 1.0759 -0.2935 0.9052 0.086 Uiso 1 1 calc R . .
C70 C 1.195(2) -0.2396(17) 0.9026(5) 0.075(5) Uani 1 1 d U . .
H70 H 1.2226 -0.2666 0.8914 0.090 Uiso 1 1 calc R . .
C71 C 1.238(2) -0.1745(18) 0.9127(5) 0.076(5) Uani 1 1 d U . .
H71 H 1.2927 -0.1537 0.9066 0.091 Uiso 1 1 calc R . .
C72 C 1.204(2) -0.1426(17) 0.9301(5) 0.071(5) Uani 1 1 d U . .
H72 H 1.2403 -0.1061 0.9370 0.085 Uiso 1 1 calc R . .
C78 C 1.051(2) -0.2449(17) 0.9827(4) 0.069(4) Uani 1 1 d U . .
H78 H 1.1180 -0.2445 0.9823 0.083 Uiso 1 1 calc R . .
C79 C 1.001(2) -0.3047(18) 0.9917(4) 0.079(4) Uani 1 1 d U . .
H79 H 1.0314 -0.3490 0.9962 0.095 Uiso 1 1 calc R . .
C80 C 0.902(2) -0.2951(17) 0.9939(4) 0.075(4) Uani 1 1 d U . .
H80 H 0.8715 -0.3310 1.0023 0.090 Uiso 1 1 calc R . .
C81 C 0.842(2) -0.2370(15) 0.9848(4) 0.066(4) Uani 1 1 d U . .
H81 H 0.7754 -0.2380 0.9852 0.079 Uiso 1 1 calc R . .
C82 C 0.897(2) -0.1776(15) 0.9752(3) 0.051(3) Uani 1 1 d U . .
C83 C 0.996(2) -0.1835(15) 0.9739(3) 0.055(3) Uani 1 1 d U . .
C84 C 0.9880(19) 0.0409(13) 0.9753(4) 0.043(3) Uani 1 1 d U . .
C85 C 1.058(2) 0.1046(14) 0.9760(4) 0.052(3) Uani 1 1 d U . .
H85 H 1.0941 0.1131 0.9639 0.062 Uiso 1 1 calc R . .
C86 C 1.072(2) 0.1471(15) 0.9912(4) 0.056(4) Uani 1 1 d U . .
H86 H 1.1168 0.1862 0.9906 0.067 Uiso 1 1 calc R . .
C87 C 1.017(2) 0.1335(15) 1.0098(4) 0.060(4) Uani 1 1 d U . .
H87 H 1.0296 0.1629 1.0218 0.072 Uiso 1 1 calc R . .
C88 C 0.947(2) 0.0793(14) 1.0111(4) 0.055(4) Uani 1 1 d U . .
H88 H 0.9121 0.0735 1.0236 0.067 Uiso 1 1 calc R . .
C89 C 0.927(2) 0.0345(14) 0.9942(4) 0.049(3) Uani 1 1 d U . .
C90 C 0.857(2) -0.0905(17) 1.0171(4) 0.063(4) Uani 1 1 d U . .
C91 C 0.795(2) -0.1779(18) 1.0422(4) 0.070(4) Uani 1 1 d U . .
H91 H 0.7415 -0.2027 1.0478 0.084 Uiso 1 1 calc R . .
C92 C 0.954(2) -0.1431(17) 1.0451(4) 0.066(4) Uani 1 1 d U . .
H92 H 1.0145 -0.1467 1.0511 0.079 Uiso 1 1 calc R . .
C95 C 0.786(2) -0.1415(18) 1.0259(4) 0.070(4) Uani 1 1 d U . .
H95 H 0.7288 -0.1468 1.0184 0.084 Uiso 1 1 calc R . .
C99 C 0.884(2) -0.1834(18) 1.0529(4) 0.066(5) Uani 1 1 d U . .
H99 H 0.8927 -0.2141 1.0648 0.079 Uiso 1 1 calc R . .
C100 C 0.7217(16) 0.1100(15) 0.9301(4) 0.043(3) Uani 1 1 d U . .
C102 C 0.6943(18) 0.2195(14) 0.9070(4) 0.047(3) Uani 1 1 d U . .
H102 H 0.7210 0.2576 0.8987 0.056 Uiso 1 1 calc R . .
C103 C 0.6012(18) 0.2183(15) 0.9096(4) 0.046(3) Uani 1 1 d U . .
C104 C 0.5625(19) 0.1562(14) 0.9232(4) 0.050(4) Uani 1 1 d U . .
H104 H 0.4967 0.1528 0.9251 0.060 Uiso 1 1 calc R . .
C105 C 0.6189(17) 0.1056(16) 0.9326(4) 0.050(4) Uani 1 1 d U . .
H105 H 0.5922 0.0672 0.9409 0.060 Uiso 1 1 calc R . .
C106 C 0.5341(18) 0.2655(14) 0.8979(4) 0.041(3) Uani 1 1 d U . .
C107 C 0.5655(19) 0.4549(15) 0.9076(4) 0.048(3) Uani 1 1 d U . .
C108 C 0.6601(18) 0.4523(14) 0.8996(4) 0.048(3) Uani 1 1 d U . .
H108 H 0.6702 0.4562 0.8850 0.057 Uiso 1 1 calc R . .
C109 C 0.735(2) 0.4445(15) 0.9125(4) 0.053(4) Uani 1 1 d U . .
H109 H 0.7963 0.4435 0.9070 0.064 Uiso 1 1 calc R . .
C110 C 0.720(2) 0.4380(16) 0.9337(4) 0.058(4) Uani 1 1 d U . .
H110 H 0.7737 0.4329 0.9424 0.070 Uiso 1 1 calc R . .
C111 C 0.637(2) 0.4383(15) 0.9428(4) 0.057(4) Uani 1 1 d U . .
H111 H 0.6309 0.4300 0.9574 0.068 Uiso 1 1 calc R . .
C112 C 0.554(2) 0.4524(14) 0.9291(4) 0.052(4) Uani 1 1 d U . .
H112 H 0.4936 0.4596 0.9351 0.062 Uiso 1 1 calc R . .
C113 C 0.468(2) 0.5681(14) 0.8849(4) 0.052(4) Uani 1 1 d U . .
C116 C 0.457(2) 0.7257(15) 0.8795(4) 0.059(4) Uani 1 1 d U . .
H116 H 0.4539 0.7776 0.8766 0.070 Uiso 1 1 calc R . .
C117 C 0.390(2) 0.6767(15) 0.8713(4) 0.060(4) Uani 1 1 d U . .
H117 H 0.3366 0.6979 0.8649 0.072 Uiso 1 1 calc R . .
C118 C 0.396(2) 0.6037(15) 0.8717(4) 0.054(4) Uani 1 1 d U . .
H118 H 0.3546 0.5743 0.8636 0.064 Uiso 1 1 calc R . .
C119 C 0.3618(19) 0.4525(15) 0.9042(4) 0.050(3) Uani 1 1 d U . .
C120 C 0.3313(19) 0.5049(16) 0.9194(4) 0.054(4) Uani 1 1 d U . .
H120 H 0.3618 0.5518 0.9203 0.065 Uiso 1 1 calc R . .
C121 C 0.251(2) 0.4875(17) 0.9342(4) 0.061(4) Uani 1 1 d U . .
H121 H 0.2363 0.5182 0.9458 0.073 Uiso 1 1 calc R . .
C122 C 0.205(2) 0.4276(16) 0.9297(4) 0.060(4) Uani 1 1 d U . .
H122 H 0.1480 0.4212 0.9372 0.072 Uiso 1 1 calc R . .
C123 C 0.2267(19) 0.3683(16) 0.9148(4) 0.054(4) Uani 1 1 d U . .
H123 H 0.1918 0.3234 0.9136 0.065 Uiso 1 1 calc R . .
C125 C 0.4051(16) 0.4474(11) 0.8435(3) 0.024(2) Uani 1 1 d U . .
C126 C 0.4492(16) 0.4970(10) 0.8308(3) 0.025(3) Uani 1 1 d U . .
H126 H 0.5148 0.5048 0.8320 0.029 Uiso 1 1 calc R . .
C127 C 0.3958(16) 0.5376(12) 0.8157(3) 0.029(3) Uani 1 1 d U . .
H127 H 0.4272 0.5707 0.8065 0.035 Uiso 1 1 calc R . .
C128 C 0.2992(17) 0.5294(12) 0.8141(3) 0.034(3) Uani 1 1 d U . .
H128 H 0.2647 0.5597 0.8047 0.040 Uiso 1 1 calc R . .
C129 C 0.2529(17) 0.4770(12) 0.8262(3) 0.034(3) Uani 1 1 d U . .
H129 H 0.1875 0.4689 0.8245 0.041 Uiso 1 1 calc R . .
C130 C 0.3068(17) 0.4340(11) 0.8418(3) 0.031(3) Uani 1 1 d U . .
C131 C 0.146(2) 0.4765(15) 0.8774(4) 0.055(4) Uani 1 1 d U . .
H131 H 0.2066 0.4895 0.8825 0.066 Uiso 1 1 calc R . .
C132 C 0.067(2) 0.5227(17) 0.8823(4) 0.061(4) Uani 1 1 d U . .
H132 H 0.0739 0.5698 0.8889 0.073 Uiso 1 1 calc R . .
C133 C -0.021(2) 0.4926(15) 0.8766(4) 0.058(4) Uani 1 1 d U . .
H133 H -0.0759 0.5155 0.8822 0.070 Uiso 1 1 calc R . .
C134 C -0.034(2) 0.4287(15) 0.8628(4) 0.061(4) Uani 1 1 d U . .
H134 H -0.0941 0.4138 0.8577 0.073 Uiso 1 1 calc R . .
C135 C 0.0512(18) 0.3903(16) 0.8574(4) 0.055(4) Uani 1 1 d U . .
H135 H 0.0478 0.3491 0.8481 0.066 Uiso 1 1 calc R . .
C136 C 0.1350(19) 0.4104(15) 0.8648(4) 0.051(4) Uani 1 1 d U . .
C137 C 0.2500(19) 0.2766(13) 0.8201(4) 0.044(4) Uani 1 1 d U . .
H137 H 0.2812 0.3180 0.8140 0.053 Uiso 1 1 calc R . .
C138 C 0.240(2) 0.2095(13) 0.8080(4) 0.050(4) Uani 1 1 d U . .
H138 H 0.2724 0.2020 0.7952 0.060 Uiso 1 1 calc R . .
C139 C 0.180(2) 0.1569(14) 0.8162(4) 0.056(4) Uani 1 1 d U . .
H139 H 0.1652 0.1142 0.8081 0.068 Uiso 1 1 calc R . .
C140 C 0.139(2) 0.1641(14) 0.8359(4) 0.057(4) Uani 1 1 d U . .
H140 H 0.1001 0.1252 0.8410 0.068 Uiso 1 1 calc R . .
C141 C 0.153(2) 0.2227(13) 0.8476(4) 0.052(4) Uani 1 1 d U . .
H141 H 0.1221 0.2264 0.8607 0.063 Uiso 1 1 calc R . .
C142 C 0.4595(17) 0.2352(11) 0.8440(3) 0.028(3) Uani 1 1 d U . .
C143 C 0.5013(16) 0.1713(11) 0.8327(3) 0.026(3) Uani 1 1 d U . .
C144 C 0.4546(16) 0.1016(11) 0.8319(3) 0.026(3) Uani 1 1 d U . .
H144 H 0.3959 0.0951 0.8387 0.031 Uiso 1 1 calc R . .
C145 C 0.5863(16) 0.1753(12) 0.8221(3) 0.030(3) Uani 1 1 d U . .
H145 H 0.6139 0.2230 0.8205 0.036 Uiso 1 1 calc R . .
C146 C 0.6329(16) 0.1158(10) 0.8138(3) 0.026(3) Uani 1 1 d U . .
H146 H 0.6962 0.1202 0.8093 0.031 Uiso 1 1 calc R . .
C147 C 0.4962(15) 0.0419(11) 0.8210(3) 0.024(3) Uani 1 1 d U . .
H147 H 0.4626 -0.0035 0.8198 0.029 Uiso 1 1 calc R . .
C148 C 0.7794(18) 0.0546(14) 0.9388(4) 0.044(3) Uani 1 1 d U . .
C149 C 0.528(2) 0.6203(14) 0.8961(4) 0.055(4) Uani 1 1 d U . .
H149 H 0.5695 0.6030 0.9066 0.066 Uiso 1 1 calc R . .
C150 C 0.3050(17) 0.3853(15) 0.9024(3) 0.045(3) Uani 1 1 d U . .
C151 C 0.523(2) 0.6983(14) 0.8911(4) 0.060(4) Uani 1 1 d U . .
H151 H 0.5691 0.7309 0.8965 0.072 Uiso 1 1 calc R . .
C152 C 0.2156(19) 0.2835(12) 0.8405(4) 0.040(3) Uani 1 1 d U . .
C200 C 0.7544(18) 0.1664(14) 0.9163(4) 0.045(3) Uani 1 1 d U . .
H200 H 0.8194 0.1684 0.9132 0.054 Uiso 1 1 calc R . .
C202 C 0.939(2) -0.0924(17) 1.0270(4) 0.060(4) Uani 1 1 d U . .
H202 H 0.9884 -0.0609 1.0225 0.072 Uiso 1 1 calc R . .
C700 C 1.1567(9) -0.0819(11) 0.9798(3) 0.102(6) Uani 1 1 d GU . .
C701 C 1.1572(9) -0.1030(9) 1.0011(3) 0.107(6) Uani 1 1 d GU . .
H701 H 1.1140 -0.1393 1.0060 0.129 Uiso 1 1 calc R . .
C702 C 1.2221(10) -0.0700(13) 1.0150(3) 0.112(6) Uani 1 1 d GU . .
H702 H 1.2224 -0.0842 1.0293 0.135 Uiso 1 1 calc R . .
C703 C 1.2866(9) -0.0158(12) 1.0077(3) 0.117(6) Uani 1 1 d GU . .
H703 H 1.3301 0.0062 1.0171 0.141 Uiso 1 1 calc R . .
C704 C 1.2862(8) 0.0053(11) 0.9864(3) 0.116(6) Uani 1 1 d GU . .
H704 H 1.3294 0.0415 0.9815 0.139 Uiso 1 1 calc R . .
C705 C 1.2213(9) -0.0277(13) 0.9724(3) 0.111(6) Uani 1 1 d GU . .
H705 H 1.2210 -0.0136 0.9582 0.133 Uiso 1 1 calc R . .
C601 C 0.7310(9) 0.0808(9) 1.0077(3) 0.126(6) Uani 1 1 d GU . .
H601 H 0.7899 0.0991 1.0123 0.151 Uiso 1 1 calc R . .
C602 C 0.7263(8) 0.0138(9) 0.9959(2) 0.117(6) Uani 1 1 d GU . .
C600 C 0.6382(8) -0.0135(11) 0.9890(3) 0.126(6) Uani 1 1 d GU . .
H600 H 0.6351 -0.0583 0.9812 0.151 Uiso 1 1 calc R . .
C603 C 0.5549(8) 0.0261(12) 0.9939(3) 0.132(7) Uani 1 1 d GU . .
H603 H 0.4960 0.0078 0.9893 0.158 Uiso 1 1 calc R . .
C604 C 0.5596(9) 0.0930(12) 1.0056(3) 0.135(7) Uani 1 1 d GU . .
H604 H 0.5038 0.1195 1.0088 0.161 Uiso 1 1 calc R . .
C605 C 0.6477(10) 0.1204(11) 1.0125(3) 0.132(7) Uani 1 1 d GU . .
H605 H 0.6508 0.1651 1.0203 0.158 Uiso 1 1 calc R . .
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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C42 Pd1 O4 89.1(7) . . ?
C42 Pd1 O2 173.5(7) . . ?
O4 Pd1 O2 86.8(5) . . ?
C42 Pd1 P1 89.1(6) . . ?
O4 Pd1 P1 174.7(4) . . ?
O2 Pd1 P1 94.6(4) . . ?
C42 Pd1 Pd2 96.3(6) . . ?
O4 Pd1 Pd2 86.0(4) . . ?
O2 Pd1 Pd2 78.4(4) . . ?
P1 Pd1 Pd2 89.26(16) . . ?
C21 P1 C11 104.9(9) . . ?
C21 P1 C31 102.4(9) . . ?
C11 P1 C31 107.4(8) . . ?
C21 P1 Pd1 122.2(7) . . ?
C11 P1 Pd1 110.1(6) . . ?
C31 P1 Pd1 108.9(5) . . ?
C1 O1 Pd2 117.0(13) . . ?
O1 C1 O2 131.0(19) . . ?
O1 C1 C2 116.4(18) . . ?
O2 C1 C2 112.3(16) . . ?
C12 Pd2 O1 90.0(7) . . ?
C12 Pd2 O3 171.5(7) . . ?
O1 Pd2 O3 84.9(5) . . ?
C12 Pd2 P2 88.9(6) . . ?
O1 Pd2 P2 173.7(4) . . ?
O3 Pd2 P2 95.4(4) . . ?
C12 Pd2 Pd1 92.8(6) . . ?
O1 Pd2 Pd1 87.2(4) . . ?
O3 Pd2 Pd1 80.2(4) . . ?
P2 Pd2 Pd1 86.68(16) . . ?
C51 P2 C41 106.2(10) . . ?
C51 P2 C61 103.3(10) . . ?
C41 P2 C61 103.9(10) . . ?
C51 P2 Pd2 121.8(7) . . ?
C41 P2 Pd2 112.4(7) . . ?
C61 P2 Pd2 107.5(7) . . ?
C1 O2 Pd1 120.9(12) . . ?
C147 C2 C146 118.3(19) . . ?
C147 C2 C1 120.0(18) . . ?
C146 C2 C1 121.6(18) . . ?
C84 Pd3 O7 89.3(8) . . ?
C84 Pd3 O6 174.4(9) . . ?
O7 Pd3 O6 86.2(6) . . ?
C84 Pd3 P3 89.8(7) . . ?
O7 Pd3 P3 174.6(5) . . ?
O6 Pd3 P3 94.4(5) . . ?
C84 Pd3 Pd4 93.8(8) . . ?
O7 Pd3 Pd4 86.2(5) . . ?
O6 Pd3 Pd4 82.5(4) . . ?
P3 Pd3 Pd4 88.6(2) . . ?
C700 P3 C67 110.7(12) . . ?
C700 P3 C83 103.9(11) . . ?
C67 P3 C83 100.3(13) . . ?
C700 P3 Pd3 118.5(6) . . ?
C67 P3 Pd3 110.7(9) . . ?
C83 P3 Pd3 111.0(9) . . ?
C3 O3 Pd2 122.7(12) . . ?
O3 C3 O4 125.4(18) . . ?
O3 C3 C4 121.2(19) . . ?
O4 C3 C4 112.1(18) . . ?
C82 Pd4 O5 93.0(8) . . ?
C82 Pd4 O8 175.9(8) . . ?
O5 Pd4 O8 83.9(6) . . ?
C82 Pd4 P4 88.1(7) . . ?
O5 Pd4 P4 176.0(5) . . ?
O8 Pd4 P4 94.8(5) . . ?
C82 Pd4 Pd3 95.3(9) . . ?
O5 Pd4 Pd3 87.1(4) . . ?
O8 Pd4 Pd3 82.0(4) . . ?
P4 Pd4 Pd3 89.0(2) . . ?
C602 P4 C90 111.9(12) . . ?
C602 P4 C89 106.8(11) . . ?
C90 P4 C89 104.8(12) . . ?
C602 P4 Pd4 102.0(6) . . ?
C90 P4 Pd4 117.8(10) . . ?
C89 P4 Pd4 113.3(8) . . ?
C3 O4 Pd1 118.7(12) . . ?
C5 C4 C9 126(2) . . ?
C5 C4 C3 118(2) . . ?
C9 C4 C3 116(2) . . ?
C125 Pd5 O12 89.0(6) . . ?
C125 Pd5 O10 174.1(7) . . ?
O12 Pd5 O10 86.3(5) . . ?
C125 Pd5 P5 91.9(6) . . ?
O12 Pd5 P5 175.2(4) . . ?
O10 Pd5 P5 92.5(4) . . ?
C125 Pd5 Pd6 95.7(6) . . ?
O12 Pd5 Pd6 87.9(4) . . ?
O10 Pd5 Pd6 80.5(4) . . ?
P5 Pd5 Pd6 87.39(17) . . ?
C113 P5 C107 105.3(13) . . ?
C113 P5 C119 104.6(13) . . ?
C107 P5 C119 106.8(12) . . ?
C113 P5 Pd5 121.7(8) . . ?
C107 P5 Pd5 106.1(9) . . ?
C119 P5 Pd5 111.3(8) . . ?
C10 O5 Pd4 119.6(13) . . ?
C4 C5 C6 116(2) . . ?
C150 Pd6 O9 90.6(9) . . ?
C150 Pd6 O11 174.7(8) . . ?
O9 Pd6 O11 86.2(6) . . ?
C150 Pd6 P6 89.1(8) . . ?
O9 Pd6 P6 174.9(5) . . ?
O11 Pd6 P6 93.7(4) . . ?
C150 Pd6 Pd5 96.5(7) . . ?
O9 Pd6 Pd5 87.0(4) . . ?
O11 Pd6 Pd5 79.1(4) . . ?
P6 Pd6 Pd5 88.03(16) . . ?
C152 P6 C130 109.0(10) . . ?
C152 P6 C136 108.1(13) . . ?
C130 P6 C136 101.4(11) . . ?
C152 P6 Pd6 102.0(8) . . ?
C130 P6 Pd6 112.2(8) . . ?
C136 P6 Pd6 123.7(8) . . ?
C10 O6 Pd3 126.4(14) . . ?
C7 C6 C5 120(2) . . ?
C148 O7 Pd3 123.9(15) . . ?
C6 C7 C8 121(2) . . ?
C6 C7 C10 122(2) . . ?
C8 C7 C10 116(2) . . ?
C148 O8 Pd4 123.7(15) . . ?
C7 C8 C9 119(2) . . ?
C106 O9 Pd6 121.6(13) . . ?
C4 C9 C8 118(2) . . ?
C106 O10 Pd5 126.3(14) . . ?
O6 C10 O5 123.5(19) . . ?
O6 C10 C7 120(2) . . ?
O5 C10 C7 116(2) . . ?
C142 O11 Pd6 126.7(13) . . ?
C16 C11 C12 118.6(19) . . ?
C16 C11 P1 118.4(15) . . ?
C12 C11 P1 123.0(15) . . ?
C142 O12 Pd5 117.9(12) . . ?
C11 C12 C13 120.8(18) . . ?
C11 C12 Pd2 122.6(15) . . ?
C13 C12 Pd2 116.4(14) . . ?
C14 C13 C12 120.8(19) . . ?
C15 C14 C13 119(2) . . ?
C14 C15 C16 120.2(19) . . ?
C11 C16 C15 120.7(19) . . ?
C22 C21 C26 114(2) . . ?
C22 C21 P1 124.0(17) . . ?
C26 C21 P1 120.3(16) . . ?
C21 C22 C23 127(2) . . ?
C22 C23 C24 113(2) . . ?
C25 C24 C23 120(2) . . ?
C24 C25 C26 124(2) . . ?
C25 C26 C21 120(2) . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P1 116.7(7) . . ?
C36 C31 P1 123.2(7) . . ?
C33 C32 C31 120.0 . . ?
C34 C33 C32 120.0 . . ?
C33 C34 C35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C35 C36 C31 120.0 . . ?
C46 C41 C42 122(2) . . ?
C46 C41 P2 117.4(16) . . ?
C42 C41 P2 120.4(15) . . ?
C43 C42 C41 118(2) . . ?
C43 C42 Pd1 119.6(15) . . ?
C41 C42 Pd1 121.9(15) . . ?
C42 C43 C44 121(2) . . ?
C43 C44 C45 119(2) . . ?
C46 C45 C44 120(2) . . ?
C45 C46 C41 120(2) . . ?
C52 C51 C56 116.7(18) . . ?
C52 C51 P2 126.6(16) . . ?
C56 C51 P2 116.7(15) . . ?
C53 C52 C51 121(2) . . ?
C52 C53 C54 126(2) . . ?
C53 C54 C55 116(2) . . ?
C56 C55 C54 119(2) . . ?
C55 C56 C51 120(2) . . ?
C62 C61 C66 124(2) . . ?
C62 C61 P2 122.9(17) . . ?
C66 C61 P2 113.2(16) . . ?
C61 C62 C63 115(2) . . ?
C64 C63 C62 124(3) . . ?
C63 C64 C65 121(2) . . ?
C64 C65 C66 122(2) . . ?
C65 C66 C61 114(2) . . ?
C68 C67 C72 118(3) . . ?
C68 C67 P3 120(2) . . ?
C72 C67 P3 122(3) . . ?
C67 C68 C69 118(3) . . ?
C70 C69 C68 127(3) . . ?
C69 C70 C71 110(3) . . ?
C72 C71 C70 124(3) . . ?
C71 C72 C67 123(4) . . ?
C79 C78 C83 117(3) . . ?
C78 C79 C80 117(3) . . ?
C79 C80 C81 129(3) . . ?
C82 C81 C80 112(3) . . ?
C83 C82 C81 120(2) . . ?
C83 C82 Pd4 126(2) . . ?
C81 C82 Pd4 114(2) . . ?
C82 C83 C78 125(3) . . ?
C82 C83 P3 119.6(19) . . ?
C78 C83 P3 115(2) . . ?
C89 C84 C85 114(2) . . ?
C89 C84 Pd3 125.4(18) . . ?
C85 C84 Pd3 119.5(17) . . ?
C86 C85 C84 126(3) . . ?
C85 C86 C87 117(3) . . ?
C88 C87 C86 124(2) . . ?
C89 C88 C87 120(3) . . ?
C88 C89 C84 118(3) . . ?
C88 C89 P4 123(2) . . ?
C84 C89 P4 118.2(17) . . ?
C202 C90 C95 114(2) . . ?
C202 C90 P4 124(2) . . ?
C95 C90 P4 122(2) . . ?
C95 C91 C99 122(3) . . ?
C99 C92 C202 122(3) . . ?
C91 C95 C90 125(3) . . ?
C92 C99 C91 116(3) . . ?
C148 C100 C200 124(2) . . ?
C148 C100 C105 120(2) . . ?
C200 C100 C105 116(2) . . ?
C103 C102 C200 123(2) . . ?
C102 C103 C106 125(2) . . ?
C102 C103 C104 116(2) . . ?
C106 C103 C104 118(2) . . ?
C105 C104 C103 122(2) . . ?
C104 C105 C100 120(2) . . ?
O10 C106 O9 122(2) . . ?
O10 C106 C103 118(2) . . ?
O9 C106 C103 121(2) . . ?
C112 C107 C108 118(2) . . ?
C112 C107 P5 123(2) . . ?
C108 C107 P5 119.2(18) . . ?
C109 C108 C107 121(2) . . ?
C108 C109 C110 120(3) . . ?
C111 C110 C109 125(3) . . ?
C110 C111 C112 117(3) . . ?
C107 C112 C111 119(3) . . ?
C149 C113 C118 114(2) . . ?
C149 C113 P5 123(2) . . ?
C118 C113 P5 122(2) . . ?
C151 C116 C117 118(3) . . ?
C118 C117 C116 125(3) . . ?
C117 C118 C113 119(3) . . ?
C120 C119 C150 115(2) . . ?
C120 C119 P5 119.5(19) . . ?
C150 C119 P5 124.9(17) . . ?
C119 C120 C121 122(2) . . ?
C122 C121 C120 115(2) . . ?
C121 C122 C123 130(3) . . ?
C150 C123 C122 112(2) . . ?
C126 C125 C130 121(2) . . ?
C126 C125 Pd5 117.3(17) . . ?
C130 C125 Pd5 121.3(15) . . ?
C125 C126 C127 120(2) . . ?
C128 C127 C126 121(2) . . ?
C129 C128 C127 120(2) . . ?
C128 C129 C130 119(2) . . ?
C125 C130 C129 118(2) . . ?
C125 C130 P6 122.3(16) . . ?
C129 C130 P6 119.3(18) . . ?
C132 C131 C136 121(3) . . ?
C133 C132 C131 115(3) . . ?
C132 C133 C134 125(3) . . ?
C135 C134 C133 114(3) . . ?
C136 C135 C134 123(3) . . ?
C135 C136 C131 121(2) . . ?
C135 C136 P6 123(2) . . ?
C131 C136 P6 116(2) . . ?
C152 C137 C138 123(2) . . ?
C139 C138 C137 115(2) . . ?
C138 C139 C140 123(2) . . ?
C141 C140 C139 122(3) . . ?
C140 C141 C152 120(3) . . ?
O11 C142 O12 124.9(19) . . ?
O11 C142 C143 119.6(18) . . ?
O12 C142 C143 115.1(19) . . ?
C145 C143 C144 115.9(19) . . ?
C145 C143 C142 123.4(19) . . ?
C144 C143 C142 120.7(19) . . ?
C147 C144 C143 119(2) . . ?
C146 C145 C143 125(2) . . ?
C145 C146 C2 118(2) . . ?
C2 C147 C144 122(2) . . ?
O7 C148 O8 123(2) . . ?
O7 C148 C100 118(2) . . ?
O8 C148 C100 119(2) . . ?
C151 C149 C113 119(3) . . ?
C123 C150 C119 125(2) . . ?
C123 C150 Pd6 116.1(18) . . ?
C119 C150 Pd6 118.5(16) . . ?
C116 C151 C149 122(3) . . ?
C137 C152 C141 116(2) . . ?
C137 C152 P6 122.8(19) . . ?
C141 C152 P6 121.6(18) . . ?
C102 C200 C100 123(2) . . ?
C90 C202 C92 121(3) . . ?
C701 C700 C705 120.0 . . ?
C701 C700 P3 125.6(9) . . ?
C705 C700 P3 113.6(10) . . ?
C702 C701 C700 120.0 . . ?
C703 C702 C701 120.0 . . ?
C702 C703 C704 120.0 . . ?
C705 C704 C703 120.0 . . ?
C704 C705 C700 120.0 . . ?
C602 C601 C605 120.0 . . ?
C600 C602 C601 120.0 . . ?
C600 C602 P4 125.4(5) . . ?
C601 C602 P4 114.1(5) . . ?
C602 C600 C603 120.0 . . ?
C600 C603 C604 120.0 . . ?
C605 C604 C603 120.0 . . ?
C604 C605 C601 120.0 . . ?
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 C42 2.01(2) . ?
Pd1 O4 2.110(13) . ?
Pd1 O2 2.193(13) . ?
Pd1 P1 2.210(5) . ?
Pd1 Pd2 2.693(2) . ?
P1 C21 1.80(2) . ?
P1 C11 1.82(2) . ?
P1 C31 1.822(10) . ?
O1 C1 1.18(2) . ?
O1 Pd2 2.095(12) . ?
C1 O2 1.27(2) . ?
C1 C2 1.59(3) . ?
Pd2 C12 2.052(19) . ?
Pd2 O3 2.195(12) . ?
Pd2 P2 2.222(6) . ?
P2 C51 1.82(2) . ?
P2 C41 1.85(2) . ?
P2 C61 1.92(2) . ?
C2 C147 1.35(3) . ?
C2 C146 1.39(3) . ?
Pd3 C84 1.97(2) . ?
Pd3 O7 2.105(15) . ?
Pd3 O6 2.139(15) . ?
Pd3 P3 2.216(7) . ?
Pd3 Pd4 2.684(3) . ?
P3 C700 1.812(14) . ?
P3 C67 1.84(3) . ?
P3 C83 1.87(3) . ?
O3 C3 1.24(2) . ?
C3 O4 1.32(2) . ?
C3 C4 1.53(3) . ?
Pd4 C82 1.94(2) . ?
Pd4 O5 2.113(14) . ?
Pd4 O8 2.200(15) . ?
Pd4 P4 2.225(6) . ?
P4 C602 1.748(13) . ?
P4 C90 1.76(3) . ?
P4 C89 1.78(3) . ?
C4 C5 1.33(3) . ?
C4 C9 1.34(3) . ?
Pd5 C125 2.03(2) . ?
Pd5 O12 2.112(13) . ?
Pd5 O10 2.147(14) . ?
Pd5 P5 2.234(6) . ?
Pd5 Pd6 2.692(2) . ?
P5 C113 1.75(3) . ?
P5 C107 1.78(3) . ?
P5 C119 1.78(3) . ?
O5 C10 1.36(3) . ?
C5 C6 1.46(3) . ?
Pd6 C150 2.01(2) . ?
Pd6 O9 2.063(15) . ?
Pd6 O11 2.191(13) . ?
Pd6 P6 2.223(6) . ?
P6 C152 1.78(2) . ?
P6 C130 1.83(2) . ?
P6 C136 1.83(3) . ?
O6 C10 1.25(3) . ?
C6 C7 1.35(3) . ?
O7 C148 1.26(3) . ?
C7 C8 1.36(3) . ?
C7 C10 1.50(3) . ?
O8 C148 1.30(3) . ?
C8 C9 1.44(3) . ?
O9 C106 1.31(3) . ?
O10 C106 1.29(3) . ?
O11 C142 1.24(2) . ?
C11 C16 1.35(3) . ?
C11 C12 1.36(3) . ?
O12 C142 1.28(2) . ?
C12 C13 1.40(3) . ?
C13 C14 1.38(3) . ?
C14 C15 1.34(3) . ?
C15 C16 1.44(3) . ?
C21 C22 1.34(3) . ?
C21 C26 1.37(3) . ?
C22 C23 1.39(3) . ?
C23 C24 1.42(3) . ?
C24 C25 1.26(3) . ?
C25 C26 1.35(3) . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C41 C46 1.35(3) . ?
C41 C42 1.38(3) . ?
C42 C43 1.33(3) . ?
C43 C44 1.38(3) . ?
C44 C45 1.42(3) . ?
C45 C46 1.32(3) . ?
C51 C52 1.42(3) . ?
C51 C56 1.47(3) . ?
C52 C53 1.26(3) . ?
C53 C54 1.41(3) . ?
C54 C55 1.44(3) . ?
C55 C56 1.38(3) . ?
C61 C62 1.33(3) . ?
C61 C66 1.42(3) . ?
C62 C63 1.38(3) . ?
C63 C64 1.29(3) . ?
C64 C65 1.30(3) . ?
C65 C66 1.41(3) . ?
C67 C68 1.32(4) . ?
C67 C72 1.34(4) . ?
C68 C69 1.45(4) . ?
C69 C70 1.32(4) . ?
C70 C71 1.44(4) . ?
C71 C72 1.32(4) . ?
C78 C79 1.39(4) . ?
C78 C83 1.44(4) . ?
C79 C80 1.39(4) . ?
C80 C81 1.44(4) . ?
C81 C82 1.43(4) . ?
C82 C83 1.39(4) . ?
C84 C89 1.47(3) . ?
C84 C85 1.49(3) . ?
C85 C86 1.23(3) . ?
C86 C87 1.42(4) . ?
C87 C88 1.37(4) . ?
C88 C89 1.35(3) . ?
C90 C202 1.31(4) . ?
C90 C95 1.44(4) . ?
C91 C95 1.21(3) . ?
C91 C99 1.43(4) . ?
C92 C99 1.30(4) . ?
C92 C202 1.46(4) . ?
C100 C148 1.38(3) . ?
C100 C200 1.39(3) . ?
C100 C105 1.45(3) . ?
C102 C103 1.31(3) . ?
C102 C200 1.38(3) . ?
C103 C106 1.45(3) . ?
C103 C104 1.49(3) . ?
C104 C105 1.33(3) . ?
C107 C112 1.36(3) . ?
C107 C108 1.41(4) . ?
C108 C109 1.33(3) . ?
C109 C110 1.36(4) . ?
C110 C111 1.29(4) . ?
C111 C112 1.47(4) . ?
C113 C149 1.43(4) . ?
C113 C118 1.44(4) . ?
C116 C151 1.27(4) . ?
C116 C117 1.37(4) . ?
C117 C118 1.29(3) . ?
C119 C120 1.39(3) . ?
C119 C150 1.43(3) . ?
C120 C121 1.49(3) . ?
C121 C122 1.27(4) . ?
C122 C123 1.43(3) . ?
C123 C150 1.38(3) . ?
C125 C126 1.33(3) . ?
C125 C130 1.40(3) . ?
C126 C127 1.40(3) . ?
C127 C128 1.36(3) . ?
C128 C129 1.36(3) . ?
C129 C130 1.45(3) . ?
C131 C132 1.40(3) . ?
C131 C136 1.42(4) . ?
C132 C133 1.40(4) . ?
C133 C134 1.43(4) . ?
C134 C135 1.41(3) . ?
C135 C136 1.31(4) . ?
C137 C152 1.38(3) . ?
C137 C138 1.41(3) . ?
C138 C139 1.35(3) . ?
C139 C140 1.37(3) . ?
C140 C141 1.28(3) . ?
C141 C152 1.45(3) . ?
C142 C143 1.45(3) . ?
C143 C145 1.36(3) . ?
C143 C144 1.39(3) . ?
C144 C147 1.38(3) . ?
C145 C146 1.34(3) . ?
C149 C151 1.41(4) . ?
C700 C701 1.3900 . ?
C700 C705 1.3900 . ?
C701 C702 1.3900 . ?
C702 C703 1.3900 . ?
C703 C704 1.3900 . ?
C704 C705 1.3900 . ?
C601 C602 1.3900 . ?
C601 C605 1.3900 . ?
C602 C600 1.3899 . ?
C600 C603 1.3900 . ?
C603 C604 1.3900 . ?
C604 C605 1.3899 . ?
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
C42 Pd1 P1 C21 -41.0(10) . . . . ?
O4 Pd1 P1 C21 -111(5) . . . . ?
O2 Pd1 P1 C21 144.4(9) . . . . ?
Pd2 Pd1 P1 C21 -137.3(9) . . . . ?
C42 Pd1 P1 C11 82.6(9) . . . . ?
O4 Pd1 P1 C11 13(5) . . . . ?
O2 Pd1 P1 C11 -92.1(8) . . . . ?
Pd2 Pd1 P1 C11 -13.8(7) . . . . ?
C42 Pd1 P1 C31 -159.9(8) . . . . ?
O4 Pd1 P1 C31 130(5) . . . . ?
O2 Pd1 P1 C31 25.4(6) . . . . ?
Pd2 Pd1 P1 C31 103.7(5) . . . . ?
Pd2 O1 C1 O2 12(3) . . . . ?
Pd2 O1 C1 C2 -160.9(12) . . . . ?
C1 O1 Pd2 C12 -113.3(14) . . . . ?
C1 O1 Pd2 O3 59.9(14) . . . . ?
C1 O1 Pd2 P2 -33(4) . . . . ?
C1 O1 Pd2 Pd1 -20.5(13) . . . . ?
C42 Pd1 Pd2 C12 -78.1(8) . . . . ?
O4 Pd1 Pd2 C12 -166.8(7) . . . . ?
O2 Pd1 Pd2 C12 105.7(7) . . . . ?
P1 Pd1 Pd2 C12 10.9(6) . . . . ?
C42 Pd1 Pd2 O1 -168.0(7) . . . . ?
O4 Pd1 Pd2 O1 103.4(5) . . . . ?
O2 Pd1 Pd2 O1 15.9(5) . . . . ?
P1 Pd1 Pd2 O1 -79.0(4) . . . . ?
C42 Pd1 Pd2 O3 106.7(7) . . . . ?
O4 Pd1 Pd2 O3 18.1(5) . . . . ?
O2 Pd1 Pd2 O3 -69.4(5) . . . . ?
P1 Pd1 Pd2 O3 -164.3(4) . . . . ?
C42 Pd1 Pd2 P2 10.6(6) . . . . ?
O4 Pd1 Pd2 P2 -78.0(4) . . . . ?
O2 Pd1 Pd2 P2 -165.5(4) . . . . ?
P1 Pd1 Pd2 P2 99.6(2) . . . . ?
C12 Pd2 P2 C51 -48.5(10) . . . . ?
O1 Pd2 P2 C51 -129(4) . . . . ?
O3 Pd2 P2 C51 138.8(9) . . . . ?
Pd1 Pd2 P2 C51 -141.4(8) . . . . ?
C12 Pd2 P2 C41 79.1(9) . . . . ?
O1 Pd2 P2 C41 -1(4) . . . . ?
O3 Pd2 P2 C41 -93.6(8) . . . . ?
Pd1 Pd2 P2 C41 -13.8(7) . . . . ?
C12 Pd2 P2 C61 -167.2(9) . . . . ?
O1 Pd2 P2 C61 113(4) . . . . ?
O3 Pd2 P2 C61 20.1(8) . . . . ?
Pd1 Pd2 P2 C61 100.0(7) . . . . ?
O1 C1 O2 Pd1 9(3) . . . . ?
C2 C1 O2 Pd1 -177.2(10) . . . . ?
C42 Pd1 O2 C1 -55(6) . . . . ?
O4 Pd1 O2 C1 -105.3(14) . . . . ?
P1 Pd1 O2 C1 69.5(14) . . . . ?
Pd2 Pd1 O2 C1 -18.8(13) . . . . ?
O1 C1 C2 C147 22(3) . . . . ?
O2 C1 C2 C147 -152.4(19) . . . . ?
O1 C1 C2 C146 -161.7(18) . . . . ?
O2 C1 C2 C146 24(3) . . . . ?
C84 Pd3 P3 C700 -27.2(10) . . . . ?
O7 Pd3 P3 C700 -108(5) . . . . ?
O6 Pd3 P3 C700 156.6(8) . . . . ?
Pd4 Pd3 P3 C700 -121.0(7) . . . . ?
C84 Pd3 P3 C67 -156.6(14) . . . . ?
O7 Pd3 P3 C67 123(5) . . . . ?
O6 Pd3 P3 C67 27.2(13) . . . . ?
Pd4 Pd3 P3 C67 109.5(12) . . . . ?
C84 Pd3 P3 C83 92.9(11) . . . . ?
O7 Pd3 P3 C83 12(5) . . . . ?
O6 Pd3 P3 C83 -83.3(10) . . . . ?
Pd4 Pd3 P3 C83 -0.9(9) . . . . ?
C12 Pd2 O3 C3 -59(5) . . . . ?
O1 Pd2 O3 C3 -111.7(16) . . . . ?
P2 Pd2 O3 C3 62.0(16) . . . . ?
Pd1 Pd2 O3 C3 -23.7(16) . . . . ?
Pd2 O3 C3 O4 15(3) . . . . ?
Pd2 O3 C3 C4 -179.5(15) . . . . ?
C84 Pd3 Pd4 C82 -88.3(10) . . . . ?
O7 Pd3 Pd4 C82 -177.4(8) . . . . ?
O6 Pd3 Pd4 C82 96.0(8) . . . . ?
P3 Pd3 Pd4 C82 1.4(7) . . . . ?
C84 Pd3 Pd4 O5 178.9(8) . . . . ?
O7 Pd3 Pd4 O5 89.9(6) . . . . ?
O6 Pd3 Pd4 O5 3.3(6) . . . . ?
P3 Pd3 Pd4 O5 -91.3(5) . . . . ?
C84 Pd3 Pd4 O8 94.7(8) . . . . ?
O7 Pd3 Pd4 O8 5.7(6) . . . . ?
O6 Pd3 Pd4 O8 -81.0(6) . . . . ?
P3 Pd3 Pd4 O8 -175.5(5) . . . . ?
C84 Pd3 Pd4 P4 -0.3(7) . . . . ?
O7 Pd3 Pd4 P4 -89.3(5) . . . . ?
O6 Pd3 Pd4 P4 -176.0(5) . . . . ?
P3 Pd3 Pd4 P4 89.4(2) . . . . ?
C82 Pd4 P4 C602 -147.8(10) . . . . ?
O5 Pd4 P4 C602 106(7) . . . . ?
O8 Pd4 P4 C602 35.0(8) . . . . ?
Pd3 Pd4 P4 C602 116.9(6) . . . . ?
C82 Pd4 P4 C90 -24.9(14) . . . . ?
O5 Pd4 P4 C90 -131(7) . . . . ?
O8 Pd4 P4 C90 157.9(12) . . . . ?
Pd3 Pd4 P4 C90 -120.2(12) . . . . ?
C82 Pd4 P4 C89 97.8(13) . . . . ?
O5 Pd4 P4 C89 -9(7) . . . . ?
O8 Pd4 P4 C89 -79.4(11) . . . . ?
Pd3 Pd4 P4 C89 2.5(10) . . . . ?
O3 C3 O4 Pd1 10(3) . . . . ?
C4 C3 O4 Pd1 -156.7(14) . . . . ?
C42 Pd1 O4 C3 -118.2(16) . . . . ?
O2 Pd1 O4 C3 56.8(15) . . . . ?
P1 Pd1 O4 C3 -48(5) . . . . ?
Pd2 Pd1 O4 C3 -21.8(14) . . . . ?
O3 C3 C4 C5 1(3) . . . . ?
O4 C3 C4 C5 169(2) . . . . ?
O3 C3 C4 C9 -174(2) . . . . ?
O4 C3 C4 C9 -7(3) . . . . ?
C125 Pd5 P5 C113 -39.2(14) . . . . ?
O12 Pd5 P5 C113 -140(5) . . . . ?
O10 Pd5 P5 C113 144.8(13) . . . . ?
Pd6 Pd5 P5 C113 -134.8(12) . . . . ?
C125 Pd5 P5 C107 -159.3(11) . . . . ?
O12 Pd5 P5 C107 100(5) . . . . ?
O10 Pd5 P5 C107 24.7(10) . . . . ?
Pd6 Pd5 P5 C107 105.1(9) . . . . ?
C125 Pd5 P5 C119 84.8(12) . . . . ?
O12 Pd5 P5 C119 -15(5) . . . . ?
O10 Pd5 P5 C119 -91.1(11) . . . . ?
Pd6 Pd5 P5 C119 -10.8(11) . . . . ?
C82 Pd4 O5 C10 -103.5(18) . . . . ?
O8 Pd4 O5 C10 73.9(16) . . . . ?
P4 Pd4 O5 C10 3(8) . . . . ?
Pd3 Pd4 O5 C10 -8.4(16) . . . . ?
C9 C4 C5 C6 1(4) . . . . ?
C3 C4 C5 C6 -174(2) . . . . ?
C125 Pd5 Pd6 C150 -83.3(9) . . . . ?
O12 Pd5 Pd6 C150 -172.1(8) . . . . ?
O10 Pd5 Pd6 C150 101.3(9) . . . . ?
P5 Pd5 Pd6 C150 8.3(8) . . . . ?
C125 Pd5 Pd6 O9 -173.6(7) . . . . ?
O12 Pd5 Pd6 O9 97.7(6) . . . . ?
O10 Pd5 Pd6 O9 11.0(6) . . . . ?
P5 Pd5 Pd6 O9 -82.0(5) . . . . ?
C125 Pd5 Pd6 O11 99.7(7) . . . . ?
O12 Pd5 Pd6 O11 11.0(5) . . . . ?
O10 Pd5 Pd6 O11 -75.7(5) . . . . ?
P5 Pd5 Pd6 O11 -168.6(4) . . . . ?
C125 Pd5 Pd6 P6 5.6(6) . . . . ?
O12 Pd5 Pd6 P6 -83.2(4) . . . . ?
O10 Pd5 Pd6 P6 -169.8(4) . . . . ?
P5 Pd5 Pd6 P6 97.2(2) . . . . ?
C150 Pd6 P6 C152 -153.0(11) . . . . ?
O9 Pd6 P6 C152 120(6) . . . . ?
O11 Pd6 P6 C152 31.5(10) . . . . ?
Pd5 Pd6 P6 C152 110.4(9) . . . . ?
C150 Pd6 P6 C130 90.4(10) . . . . ?
O9 Pd6 P6 C130 3(6) . . . . ?
O11 Pd6 P6 C130 -85.1(8) . . . . ?
Pd5 Pd6 P6 C130 -6.1(8) . . . . ?
C150 Pd6 P6 C136 -31.5(13) . . . . ?
O9 Pd6 P6 C136 -119(6) . . . . ?
O11 Pd6 P6 C136 153.0(12) . . . . ?
Pd5 Pd6 P6 C136 -128.0(11) . . . . ?
C84 Pd3 O6 C10 -49(9) . . . . ?
O7 Pd3 O6 C10 -85.6(19) . . . . ?
P3 Pd3 O6 C10 89.0(18) . . . . ?
Pd4 Pd3 O6 C10 1.0(18) . . . . ?
C4 C5 C6 C7 1(4) . . . . ?
C84 Pd3 O7 C148 -105(2) . . . . ?
O6 Pd3 O7 C148 72(2) . . . . ?
P3 Pd3 O7 C148 -24(6) . . . . ?
Pd4 Pd3 O7 C148 -11.1(19) . . . . ?
C5 C6 C7 C8 -2(4) . . . . ?
C5 C6 C7 C10 172(2) . . . . ?
C82 Pd4 O8 C148 -52(14) . . . . ?
O5 Pd4 O8 C148 -91.6(19) . . . . ?
P4 Pd4 O8 C148 84.6(18) . . . . ?
Pd3 Pd4 O8 C148 -3.7(18) . . . . ?
C6 C7 C8 C9 0(4) . . . . ?
C10 C7 C8 C9 -174(2) . . . . ?
C150 Pd6 O9 C106 -114(2) . . . . ?
O11 Pd6 O9 C106 61.9(19) . . . . ?
P6 Pd6 O9 C106 -27(7) . . . . ?
Pd5 Pd6 O9 C106 -17.4(18) . . . . ?
C5 C4 C9 C8 -3(4) . . . . ?
C3 C4 C9 C8 172(2) . . . . ?
C7 C8 C9 C4 3(4) . . . . ?
C125 Pd5 O10 C106 -61(8) . . . . ?
O12 Pd5 O10 C106 -98.8(18) . . . . ?
P5 Pd5 O10 C106 76.6(18) . . . . ?
Pd6 Pd5 O10 C106 -10.3(18) . . . . ?
Pd3 O6 C10 O5 -8(3) . . . . ?
Pd3 O6 C10 C7 165.5(16) . . . . ?
Pd4 O5 C10 O6 12(3) . . . . ?
Pd4 O5 C10 C7 -161.9(15) . . . . ?
C6 C7 C10 O6 -146(2) . . . . ?
C8 C7 C10 O6 28(3) . . . . ?
C6 C7 C10 O5 28(3) . . . . ?
C8 C7 C10 O5 -158(2) . . . . ?
C150 Pd6 O11 C142 -43(9) . . . . ?
O9 Pd6 O11 C142 -95.9(17) . . . . ?
P6 Pd6 O11 C142 79.0(17) . . . . ?
Pd5 Pd6 O11 C142 -8.3(16) . . . . ?
C21 P1 C11 C16 -35.4(19) . . . . ?
C31 P1 C11 C16 73.0(18) . . . . ?
Pd1 P1 C11 C16 -168.6(15) . . . . ?
C21 P1 C11 C12 147.5(18) . . . . ?
C31 P1 C11 C12 -104.0(18) . . . . ?
Pd1 P1 C11 C12 14(2) . . . . ?
C125 Pd5 O12 C142 -114.8(16) . . . . ?
O10 Pd5 O12 C142 61.5(15) . . . . ?
P5 Pd5 O12 C142 -14(6) . . . . ?
Pd6 Pd5 O12 C142 -19.1(14) . . . . ?
C16 C11 C12 C13 -6(3) . . . . ?
P1 C11 C12 C13 171.0(16) . . . . ?
C16 C11 C12 Pd2 179.3(16) . . . . ?
P1 C11 C12 Pd2 -4(3) . . . . ?
O1 Pd2 C12 C11 80.6(18) . . . . ?
O3 Pd2 C12 C11 28(6) . . . . ?
P2 Pd2 C12 C11 -93.2(18) . . . . ?
Pd1 Pd2 C12 C11 -6.6(18) . . . . ?
O1 Pd2 C12 C13 -94.2(16) . . . . ?
O3 Pd2 C12 C13 -147(4) . . . . ?
P2 Pd2 C12 C13 91.9(16) . . . . ?
Pd1 Pd2 C12 C13 178.6(16) . . . . ?
C11 C12 C13 C14 8(3) . . . . ?
Pd2 C12 C13 C14 -177.4(16) . . . . ?
C12 C13 C14 C15 -4(3) . . . . ?
C13 C14 C15 C16 -1(3) . . . . ?
C12 C11 C16 C15 1(3) . . . . ?
P1 C11 C16 C15 -176.1(16) . . . . ?
C14 C15 C16 C11 2(3) . . . . ?
C11 P1 C21 C22 135.7(18) . . . . ?
C31 P1 C21 C22 24(2) . . . . ?
Pd1 P1 C21 C22 -98.4(18) . . . . ?
C11 P1 C21 C26 -58.2(19) . . . . ?
C31 P1 C21 C26 -170.2(17) . . . . ?
Pd1 P1 C21 C26 68(2) . . . . ?
C26 C21 C22 C23 12(3) . . . . ?
P1 C21 C22 C23 178.6(17) . . . . ?
C21 C22 C23 C24 -8(3) . . . . ?
C22 C23 C24 C25 1(3) . . . . ?
C23 C24 C25 C26 1(3) . . . . ?
C24 C25 C26 C21 2(4) . . . . ?
C22 C21 C26 C25 -8(3) . . . . ?
P1 C21 C26 C25 -175.8(16) . . . . ?
C21 P1 C31 C32 -85.7(10) . . . . ?
C11 P1 C31 C32 164.1(9) . . . . ?
Pd1 P1 C31 C32 45.0(8) . . . . ?
C21 P1 C31 C36 89.5(10) . . . . ?
C11 P1 C31 C36 -20.6(11) . . . . ?
Pd1 P1 C31 C36 -139.8(7) . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
P1 C31 C32 C33 175.4(11) . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 C31 0.0 . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
P1 C31 C36 C35 -175.1(11) . . . . ?
C51 P2 C41 C46 -33.7(19) . . . . ?
C61 P2 C41 C46 75.0(18) . . . . ?
Pd2 P2 C41 C46 -169.1(15) . . . . ?
C51 P2 C41 C42 150.4(17) . . . . ?
C61 P2 C41 C42 -100.9(18) . . . . ?
Pd2 P2 C41 C42 15.0(19) . . . . ?
C46 C41 C42 C43 -3(3) . . . . ?
P2 C41 C42 C43 173.1(16) . . . . ?
C46 C41 C42 Pd1 179.9(16) . . . . ?
P2 C41 C42 Pd1 -4(2) . . . . ?
O4 Pd1 C42 C43 -97.5(17) . . . . ?
O2 Pd1 C42 C43 -148(5) . . . . ?
P1 Pd1 C42 C43 87.5(17) . . . . ?
Pd2 Pd1 C42 C43 176.7(16) . . . . ?
O4 Pd1 C42 C41 80.0(17) . . . . ?
O2 Pd1 C42 C41 30(7) . . . . ?
P1 Pd1 C42 C41 -95.0(17) . . . . ?
Pd2 Pd1 C42 C41 -5.9(17) . . . . ?
C41 C42 C43 C44 1(3) . . . . ?
Pd1 C42 C43 C44 178.5(16) . . . . ?
C42 C43 C44 C45 4(3) . . . . ?
C43 C44 C45 C46 -7(3) . . . . ?
C44 C45 C46 C41 5(3) . . . . ?
C42 C41 C46 C45 -1(3) . . . . ?
P2 C41 C46 C45 -176.5(17) . . . . ?
C41 P2 C51 C52 120.0(19) . . . . ?
C61 P2 C51 C52 11(2) . . . . ?
Pd2 P2 C51 C52 -109.7(18) . . . . ?
C41 P2 C51 C56 -60.7(18) . . . . ?
C61 P2 C51 C56 -169.7(16) . . . . ?
Pd2 P2 C51 C56 69.6(18) . . . . ?
C56 C51 C52 C53 -6(3) . . . . ?
P2 C51 C52 C53 173.3(18) . . . . ?
C51 C52 C53 C54 10(3) . . . . ?
C52 C53 C54 C55 -7(3) . . . . ?
C53 C54 C55 C56 0(3) . . . . ?
C54 C55 C56 C51 3(3) . . . . ?
C52 C51 C56 C55 0(3) . . . . ?
P2 C51 C56 C55 -179.4(17) . . . . ?
C51 P2 C61 C62 102(2) . . . . ?
C41 P2 C61 C62 -8(2) . . . . ?
Pd2 P2 C61 C62 -127.7(18) . . . . ?
C51 P2 C61 C66 -82.5(17) . . . . ?
C41 P2 C61 C66 166.8(15) . . . . ?
Pd2 P2 C61 C66 47.5(16) . . . . ?
C66 C61 C62 C63 5(3) . . . . ?
P2 C61 C62 C63 179.5(17) . . . . ?
C61 C62 C63 C64 -4(4) . . . . ?
C62 C63 C64 C65 4(4) . . . . ?
C63 C64 C65 C66 -4(4) . . . . ?
C64 C65 C66 C61 4(3) . . . . ?
C62 C61 C66 C65 -5(3) . . . . ?
P2 C61 C66 C65 180.0(15) . . . . ?
C700 P3 C67 C68 139(2) . . . . ?
C83 P3 C67 C68 30(3) . . . . ?
Pd3 P3 C67 C68 -88(2) . . . . ?
C700 P3 C67 C72 -40(3) . . . . ?
C83 P3 C67 C72 -149(2) . . . . ?
Pd3 P3 C67 C72 94(2) . . . . ?
C72 C67 C68 C69 -7(4) . . . . ?
P3 C67 C68 C69 174(2) . . . . ?
C67 C68 C69 C70 6(5) . . . . ?
C68 C69 C70 C71 -6(4) . . . . ?
C69 C70 C71 C72 8(4) . . . . ?
C70 C71 C72 C67 -10(5) . . . . ?
C68 C67 C72 C71 9(5) . . . . ?
P3 C67 C72 C71 -172(2) . . . . ?
C83 C78 C79 C80 -8(4) . . . . ?
C78 C79 C80 C81 12(5) . . . . ?
C79 C80 C81 C82 -10(5) . . . . ?
C80 C81 C82 C83 5(4) . . . . ?
C80 C81 C82 Pd4 -178.3(19) . . . . ?
O5 Pd4 C82 C83 85(2) . . . . ?
O8 Pd4 C82 C83 46(15) . . . . ?
P4 Pd4 C82 C83 -91(2) . . . . ?
Pd3 Pd4 C82 C83 -2(2) . . . . ?
O5 Pd4 C82 C81 -91.2(19) . . . . ?
O8 Pd4 C82 C81 -131(13) . . . . ?
P4 Pd4 C82 C81 92.6(18) . . . . ?
Pd3 Pd4 C82 C81 -178.5(18) . . . . ?
C81 C82 C83 C78 -3(4) . . . . ?
Pd4 C82 C83 C78 -180(2) . . . . ?
C81 C82 C83 P3 178.0(19) . . . . ?
Pd4 C82 C83 P3 2(3) . . . . ?
C79 C78 C83 C82 5(4) . . . . ?
C79 C78 C83 P3 -177(2) . . . . ?
C700 P3 C83 C82 128(2) . . . . ?
C67 P3 C83 C82 -117(2) . . . . ?
Pd3 P3 C83 C82 0(2) . . . . ?
C700 P3 C83 C78 -50(2) . . . . ?
C67 P3 C83 C78 64(2) . . . . ?
Pd3 P3 C83 C78 -178.9(17) . . . . ?
O7 Pd3 C84 C89 83(2) . . . . ?
O6 Pd3 C84 C89 47(9) . . . . ?
P3 Pd3 C84 C89 -91(2) . . . . ?
Pd4 Pd3 C84 C89 -3(2) . . . . ?
O7 Pd3 C84 C85 -86.2(19) . . . . ?
O6 Pd3 C84 C85 -123(8) . . . . ?
P3 Pd3 C84 C85 99.1(19) . . . . ?
Pd4 Pd3 C84 C85 -172.3(18) . . . . ?
C89 C84 C85 C86 5(4) . . . . ?
Pd3 C84 C85 C86 176(2) . . . . ?
C84 C85 C86 C87 1(4) . . . . ?
C85 C86 C87 C88 -4(4) . . . . ?
C86 C87 C88 C89 1(4) . . . . ?
C87 C88 C89 C84 5(4) . . . . ?
C87 C88 C89 P4 -178(2) . . . . ?
C85 C84 C89 C88 -7(3) . . . . ?
Pd3 C84 C89 C88 -177(2) . . . . ?
C85 C84 C89 P4 175.4(18) . . . . ?
Pd3 C84 C89 P4 5(3) . . . . ?
C602 P4 C89 C88 67(3) . . . . ?
C90 P4 C89 C88 -52(3) . . . . ?
Pd4 P4 C89 C88 178(2) . . . . ?
C602 P4 C89 C84 -116(2) . . . . ?
C90 P4 C89 C84 125(2) . . . . ?
Pd4 P4 C89 C84 -5(2) . . . . ?
C602 P4 C90 C202 -134(3) . . . . ?
C89 P4 C90 C202 -19(3) . . . . ?
Pd4 P4 C90 C202 108(3) . . . . ?
C602 P4 C90 C95 49(3) . . . . ?
C89 P4 C90 C95 165(2) . . . . ?
Pd4 P4 C90 C95 -68(3) . . . . ?
C99 C91 C95 C90 -10(6) . . . . ?
C202 C90 C95 C91 7(5) . . . . ?
P4 C90 C95 C91 -176(3) . . . . ?
C202 C92 C99 C91 3(5) . . . . ?
C95 C91 C99 C92 5(5) . . . . ?
C200 C102 C103 C106 -171(2) . . . . ?
C200 C102 C103 C104 0(4) . . . . ?
C102 C103 C104 C105 1(4) . . . . ?
C106 C103 C104 C105 173(3) . . . . ?
C103 C104 C105 C100 1(4) . . . . ?
C148 C100 C105 C104 -176(3) . . . . ?
C200 C100 C105 C104 -4(4) . . . . ?
Pd5 O10 C106 O9 1(3) . . . . ?
Pd5 O10 C106 C103 179.7(16) . . . . ?
Pd6 O9 C106 O10 15(3) . . . . ?
Pd6 O9 C106 C103 -164.3(18) . . . . ?
C102 C103 C106 O10 2(4) . . . . ?
C104 C103 C106 O10 -168(2) . . . . ?
C102 C103 C106 O9 -178(3) . . . . ?
C104 C103 C106 O9 11(4) . . . . ?
C113 P5 C107 C112 94(2) . . . . ?
C119 P5 C107 C112 -17(3) . . . . ?
Pd5 P5 C107 C112 -135(2) . . . . ?
C113 P5 C107 C108 -80(2) . . . . ?
C119 P5 C107 C108 170(2) . . . . ?
Pd5 P5 C107 C108 51(2) . . . . ?
C112 C107 C108 C109 3(4) . . . . ?
P5 C107 C108 C109 177(2) . . . . ?
C107 C108 C109 C110 1(4) . . . . ?
C108 C109 C110 C111 0(5) . . . . ?
C109 C110 C111 C112 -5(4) . . . . ?
C108 C107 C112 C111 -7(4) . . . . ?
P5 C107 C112 C111 178.9(19) . . . . ?
C110 C111 C112 C107 8(4) . . . . ?
C107 P5 C113 C149 -7(3) . . . . ?
C119 P5 C113 C149 105(2) . . . . ?
Pd5 P5 C113 C149 -127.6(19) . . . . ?
C107 P5 C113 C118 -177(2) . . . . ?
C119 P5 C113 C118 -65(2) . . . . ?
Pd5 P5 C113 C118 62(2) . . . . ?
C151 C116 C117 C118 -11(4) . . . . ?
C116 C117 C118 C113 12(4) . . . . ?
C149 C113 C118 C117 -1(4) . . . . ?
P5 C113 C118 C117 170(2) . . . . ?
C113 P5 C119 C120 -39(3) . . . . ?
C107 P5 C119 C120 73(3) . . . . ?
Pd5 P5 C119 C120 -172(2) . . . . ?
C113 P5 C119 C150 145(2) . . . . ?
C107 P5 C119 C150 -103(3) . . . . ?
Pd5 P5 C119 C150 12(3) . . . . ?
C150 C119 C120 C121 6(4) . . . . ?
P5 C119 C120 C121 -170(2) . . . . ?
C119 C120 C121 C122 -10(4) . . . . ?
C120 C121 C122 C123 11(5) . . . . ?
C121 C122 C123 C150 -7(5) . . . . ?
O12 Pd5 C125 C126 -91.7(16) . . . . ?
O10 Pd5 C125 C126 -130(7) . . . . ?
P5 Pd5 C125 C126 93.0(15) . . . . ?
Pd6 Pd5 C125 C126 -179.4(15) . . . . ?
O12 Pd5 C125 C130 83.0(17) . . . . ?
O10 Pd5 C125 C130 45(8) . . . . ?
P5 Pd5 C125 C130 -92.3(17) . . . . ?
Pd6 Pd5 C125 C130 -4.7(17) . . . . ?
C130 C125 C126 C127 1(3) . . . . ?
Pd5 C125 C126 C127 175.7(14) . . . . ?
C125 C126 C127 C128 2(3) . . . . ?
C126 C127 C128 C129 -5(3) . . . . ?
C127 C128 C129 C130 4(3) . . . . ?
C126 C125 C130 C129 -2(3) . . . . ?
Pd5 C125 C130 C129 -176.2(15) . . . . ?
C126 C125 C130 P6 175.1(15) . . . . ?
Pd5 C125 C130 P6 1(3) . . . . ?
C128 C129 C130 C125 -1(3) . . . . ?
C128 C129 C130 P6 -177.8(16) . . . . ?
C152 P6 C130 C125 -107(2) . . . . ?
C136 P6 C130 C125 139.0(19) . . . . ?
Pd6 P6 C130 C125 5(2) . . . . ?
C152 P6 C130 C129 70(2) . . . . ?
C136 P6 C130 C129 -44.2(19) . . . . ?
Pd6 P6 C130 C129 -178.1(15) . . . . ?
C136 C131 C132 C133 9(4) . . . . ?
C131 C132 C133 C134 -13(4) . . . . ?
C132 C133 C134 C135 8(4) . . . . ?
C133 C134 C135 C136 1(4) . . . . ?
C134 C135 C136 C131 -6(4) . . . . ?
C134 C135 C136 P6 -179(2) . . . . ?
C132 C131 C136 C135 0(4) . . . . ?
C132 C131 C136 P6 174(2) . . . . ?
C152 P6 C136 C135 -3(3) . . . . ?
C130 P6 C136 C135 112(2) . . . . ?
Pd6 P6 C136 C135 -121(2) . . . . ?
C152 P6 C136 C131 -176.8(19) . . . . ?
C130 P6 C136 C131 -62(2) . . . . ?
Pd6 P6 C136 C131 64(2) . . . . ?
C152 C137 C138 C139 11(4) . . . . ?
C137 C138 C139 C140 -7(4) . . . . ?
C138 C139 C140 C141 3(5) . . . . ?
C139 C140 C141 C152 -2(5) . . . . ?
Pd6 O11 C142 O12 -5(3) . . . . ?
Pd6 O11 C142 C143 168.3(14) . . . . ?
Pd5 O12 C142 O11 19(3) . . . . ?
Pd5 O12 C142 C143 -154.0(14) . . . . ?
O11 C142 C143 C145 -160(2) . . . . ?
O12 C142 C143 C145 13(3) . . . . ?
O11 C142 C143 C144 21(3) . . . . ?
O12 C142 C143 C144 -165.8(18) . . . . ?
C145 C143 C144 C147 1(3) . . . . ?
C142 C143 C144 C147 179.9(18) . . . . ?
C144 C143 C145 C146 -10(3) . . . . ?
C142 C143 C145 C146 171(2) . . . . ?
C143 C145 C146 C2 13(3) . . . . ?
C147 C2 C146 C145 -7(3) . . . . ?
C1 C2 C146 C145 176.3(18) . . . . ?
C146 C2 C147 C144 -1(3) . . . . ?
C1 C2 C147 C144 175.5(18) . . . . ?
C143 C144 C147 C2 4(3) . . . . ?
Pd3 O7 C148 O8 12(4) . . . . ?
Pd3 O7 C148 C100 -173.7(17) . . . . ?
Pd4 O8 C148 O7 -3(4) . . . . ?
Pd4 O8 C148 C100 -178.1(17) . . . . ?
C200 C100 C148 O7 19(4) . . . . ?
C105 C100 C148 O7 -170(2) . . . . ?
C200 C100 C148 O8 -166(2) . . . . ?
C105 C100 C148 O8 5(4) . . . . ?
C118 C113 C149 C151 -10(3) . . . . ?
P5 C113 C149 C151 180(2) . . . . ?
C122 C123 C150 C119 2(4) . . . . ?
C122 C123 C150 Pd6 180(2) . . . . ?
C120 C119 C150 C123 -2(4) . . . . ?
P5 C119 C150 C123 174(2) . . . . ?
C120 C119 C150 Pd6 180(2) . . . . ?
P5 C119 C150 Pd6 -4(3) . . . . ?
O9 Pd6 C150 C123 -96(2) . . . . ?
O11 Pd6 C150 C123 -148(8) . . . . ?
P6 Pd6 C150 C123 89(2) . . . . ?
Pd5 Pd6 C150 C123 177(2) . . . . ?
O9 Pd6 C150 C119 82(2) . . . . ?
O11 Pd6 C150 C119 30(10) . . . . ?
P6 Pd6 C150 C119 -92(2) . . . . ?
Pd5 Pd6 C150 C119 -5(2) . . . . ?
C117 C116 C151 C149 -1(4) . . . . ?
C113 C149 C151 C116 11(4) . . . . ?
C138 C137 C152 C141 -11(4) . . . . ?
C138 C137 C152 P6 169(2) . . . . ?
C140 C141 C152 C137 6(4) . . . . ?
C140 C141 C152 P6 -174(2) . . . . ?
C130 P6 C152 C137 11(2) . . . . ?
C136 P6 C152 C137 120(2) . . . . ?
Pd6 P6 C152 C137 -108(2) . . . . ?
C130 P6 C152 C141 -170(2) . . . . ?
C136 P6 C152 C141 -60(2) . . . . ?
Pd6 P6 C152 C141 72(2) . . . . ?
C103 C102 C200 C100 -4(4) . . . . ?
C148 C100 C200 C102 177(3) . . . . ?
C105 C100 C200 C102 6(4) . . . . ?
C95 C90 C202 C92 1(4) . . . . ?
P4 C90 C202 C92 -176(2) . . . . ?
C99 C92 C202 C90 -6(5) . . . . ?
C67 P3 C700 C701 -120.5(11) . . . . ?
C83 P3 C700 C701 -13.6(12) . . . . ?
Pd3 P3 C700 C701 110.1(10) . . . . ?
C67 P3 C700 C705 69.7(10) . . . . ?
C83 P3 C700 C705 176.6(9) . . . . ?
Pd3 P3 C700 C705 -59.7(7) . . . . ?
C705 C700 C701 C702 0.0 . . . . ?
P3 C700 C701 C702 -169.2(7) . . . . ?
C700 C701 C702 C703 0.0 . . . . ?
C701 C702 C703 C704 0.0 . . . . ?
C702 C703 C704 C705 0.0 . . . . ?
C703 C704 C705 C700 0.0 . . . . ?
C701 C700 C705 C704 0.0 . . . . ?
P3 C700 C705 C704 170.4(5) . . . . ?
C605 C601 C602 C600 0.0 . . . . ?
C605 C601 C602 P4 -172.0(6) . . . . ?
C90 P4 C602 C600 -90.0(11) . . . . ?
C89 P4 C602 C600 155.8(9) . . . . ?
Pd4 P4 C602 C600 36.7(6) . . . . ?
C90 P4 C602 C601 81.5(13) . . . . ?
C89 P4 C602 C601 -32.7(12) . . . . ?
Pd4 P4 C602 C601 -151.8(7) . . . . ?
C601 C602 C600 C603 0.0 . . . . ?
P4 C602 C600 C603 171.0(7) . . . . ?
C602 C600 C603 C604 0.0 . . . . ?
C600 C603 C604 C605 0.0 . . . . ?
C603 C604 C605 C601 0.0 . . . . ?
C602 C601 C605 C604 0.0 . . . . ?
