#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:20:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179838 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/34/7013438.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_7013438
loop_
_publ_author_name
'Yang, Ying'
'Abboud, Khalil A.'
'McElwee-White, Lisa'
_publ_section_title
;
 Heterobimetallic complexes with dppm-bridged Ru/Pd, Ru/Pt, Ru/Au and
 Ru/Cu centers
;
_journal_issue                   22
_journal_name_full               'Dalton Transactions'
_journal_page_first              4288
_journal_paper_doi               10.1039/b307990b
_journal_year                    2003
_chemical_formula_sum            'C55 H57 Cl8 P3 Pd Ru'
_chemical_formula_weight         1301.99
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 108.070(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8306(6)
_cell_length_b                   22.8974(9)
_cell_length_c                   18.4161(7)
_cell_measurement_reflns_used    394
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     5544.4(4)
_computing_cell_refinement       'Bruker SMART & SAINT (Bruker 1998)'
_computing_data_collection       'Bruker SMART (Bruker 1998)'
_computing_data_reduction        'Bruker SHELXTL (Bruker 2000)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'SMART CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36509
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.105
_exptl_absorpt_correction_T_max  0.8300
_exptl_absorpt_correction_T_min  0.6953
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
'based on measured indexed crystal faces, SHELXTL (Bruker 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.882
_refine_diff_density_min         -1.874
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         12593
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0381
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0462P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0794
_reflns_number_gt                9978
_reflns_number_total             12593
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b307990b.txt
_cod_data_source_block           yy04
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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)/n
_cod_database_code               7013438
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Pd Pd 1.465963(13) 0.776477(7) 0.684739(9) 0.02391(5) Uani 1 1 d . . .
Ru Ru 1.515660(13) 0.611354(7) 0.666482(9) 0.02140(5) Uani 1 1 d . . .
Cl1 Cl 1.52480(4) 0.68817(2) 0.76049(3) 0.02640(12) Uani 1 1 d . . .
Cl2 Cl 1.63320(5) 0.79826(3) 0.68161(3) 0.03494(14) Uani 1 1 d . . .
P1 P 1.49069(4) 0.54428(2) 0.75399(3) 0.02163(12) Uani 1 1 d . . .
P2 P 1.34784(4) 0.63420(2) 0.60533(3) 0.02103(12) Uani 1 1 d . . .
P3 P 1.30981(4) 0.75311(2) 0.68398(3) 0.02344(12) Uani 1 1 d . . .
C1 C 1.54647(19) 0.60501(11) 0.55702(14) 0.0330(5) Uani 1 1 d . . .
H1A H 1.4952 0.6107 0.5056 0.040 Uiso 1 1 calc R . .
C2 C 1.5696(2) 0.55094(11) 0.59663(14) 0.0342(5) Uani 1 1 d . . .
H2A H 1.5397 0.5120 0.5776 0.041 Uiso 1 1 calc R . .
C3 C 1.65251(19) 0.56197(12) 0.66468(15) 0.0373(6) Uani 1 1 d . . .
H3A H 1.6884 0.5319 0.7029 0.045 Uiso 1 1 calc R . .
C4 C 1.67642(19) 0.62175(12) 0.66808(15) 0.0374(6) Uani 1 1 d . . .
H4A H 1.7319 0.6414 0.7090 0.045 Uiso 1 1 calc R . .
C5 C 1.61066(19) 0.64918(11) 0.60063(14) 0.0335(5) Uani 1 1 d . . .
H5A H 1.6125 0.6911 0.5858 0.040 Uiso 1 1 calc R . .
C6 C 1.27355(17) 0.67657(9) 0.65536(12) 0.0237(4) Uani 1 1 d . . .
H6A H 1.2753 0.6547 0.7021 0.028 Uiso 1 1 calc R . .
H6B H 1.2019 0.6769 0.6221 0.028 Uiso 1 1 calc R . .
C11 C 1.50779(18) 0.46955(9) 0.72449(12) 0.0253(5) Uani 1 1 d . . .
C12 C 1.4345(2) 0.44562(10) 0.66096(13) 0.0313(5) Uani 1 1 d . . .
H12A H 1.3745 0.4671 0.6362 0.038 Uiso 1 1 calc R . .
C13 C 1.4489(2) 0.39078(10) 0.63384(15) 0.0403(6) Uani 1 1 d . . .
H13A H 1.3976 0.3743 0.5919 0.048 Uiso 1 1 calc R . .
C14 C 1.5369(2) 0.36014(11) 0.66733(16) 0.0447(7) Uani 1 1 d . . .
H14A H 1.5470 0.3230 0.6478 0.054 Uiso 1 1 calc R . .
C15 C 1.6104(2) 0.38329(11) 0.72903(17) 0.0428(7) Uani 1 1 d . . .
H15A H 1.6715 0.3622 0.7519 0.051 Uiso 1 1 calc R . .
C16 C 1.59563(19) 0.43766(10) 0.75817(14) 0.0331(5) Uani 1 1 d . . .
H16A H 1.6462 0.4530 0.8015 0.040 Uiso 1 1 calc R . .
C21 C 1.37433(17) 0.54093(10) 0.78194(12) 0.0254(5) Uani 1 1 d . . .
C22 C 1.35178(19) 0.59000(10) 0.81913(13) 0.0308(5) Uani 1 1 d . . .
H22A H 1.3952 0.6231 0.8278 0.037 Uiso 1 1 calc R . .
C23 C 1.2661(2) 0.59042(12) 0.84337(15) 0.0418(6) Uani 1 1 d . . .
H23A H 1.2514 0.6238 0.8688 0.050 Uiso 1 1 calc R . .
C24 C 1.2027(2) 0.54272(13) 0.83069(15) 0.0445(7) Uani 1 1 d . . .
H24A H 1.1436 0.5434 0.8466 0.053 Uiso 1 1 calc R . .
C25 C 1.2247(2) 0.49381(13) 0.79499(15) 0.0416(6) Uani 1 1 d . . .
H25A H 1.1811 0.4608 0.7867 0.050 Uiso 1 1 calc R . .
C26 C 1.31047(19) 0.49285(11) 0.77119(13) 0.0335(5) Uani 1 1 d . . .
H26A H 1.3257 0.4588 0.7472 0.040 Uiso 1 1 calc R . .
C31 C 1.58484(17) 0.54802(9) 0.84977(12) 0.0241(5) Uani 1 1 d . . .
C32 C 1.67309(18) 0.58089(10) 0.86286(13) 0.0300(5) Uani 1 1 d . . .
H32A H 1.6839 0.6029 0.8223 0.036 Uiso 1 1 calc R . .
C33 C 1.7458(2) 0.58190(11) 0.93470(14) 0.0367(6) Uani 1 1 d . . .
H33A H 1.8059 0.6045 0.9431 0.044 Uiso 1 1 calc R . .
C34 C 1.7300(2) 0.54969(10) 0.99414(13) 0.0360(6) Uani 1 1 d . . .
H34A H 1.7791 0.5505 1.0434 0.043 Uiso 1 1 calc R . .
C35 C 1.6434(2) 0.51669(10) 0.98170(13) 0.0340(5) Uani 1 1 d . . .
H35A H 1.6333 0.4943 1.0222 0.041 Uiso 1 1 calc R . .
C36 C 1.57019(19) 0.51597(10) 0.90976(13) 0.0301(5) Uani 1 1 d . . .
H36A H 1.5100 0.4935 0.9017 0.036 Uiso 1 1 calc R . .
C41 C 1.18922(19) 0.55374(10) 0.60168(14) 0.0323(5) Uani 1 1 d . . .
H41A H 1.1765 0.5762 0.6411 0.039 Uiso 1 1 calc R . .
C42 C 1.1309(2) 0.50396(11) 0.57425(16) 0.0429(6) Uani 1 1 d . . .
H42A H 1.0778 0.4931 0.5942 0.052 Uiso 1 1 calc R . .
C43 C 1.1505(2) 0.47074(12) 0.51817(16) 0.0447(7) Uani 1 1 d . . .
H43A H 1.1109 0.4368 0.4996 0.054 Uiso 1 1 calc R . .
C44 C 1.2271(2) 0.48619(10) 0.48857(14) 0.0375(6) Uani 1 1 d . . .
H44A H 1.2405 0.4628 0.4502 0.045 Uiso 1 1 calc R . .
C45 C 1.28412(19) 0.53565(10) 0.51472(13) 0.0308(5) Uani 1 1 d . . .
H45A H 1.3365 0.5462 0.4939 0.037 Uiso 1 1 calc R . .
C46 C 1.26573(17) 0.57075(9) 0.57186(12) 0.0236(4) Uani 1 1 d . . .
C51 C 1.32116(17) 0.67582(9) 0.51560(12) 0.0242(5) Uani 1 1 d . . .
C52 C 1.38782(19) 0.71912(9) 0.50809(13) 0.0274(5) Uani 1 1 d . . .
H52A H 1.4503 0.7247 0.5476 0.033 Uiso 1 1 calc R . .
C53 C 1.3641(2) 0.75453(10) 0.44338(13) 0.0320(5) Uani 1 1 d . . .
H53A H 1.4100 0.7843 0.4393 0.038 Uiso 1 1 calc R . .
C54 C 1.2739(2) 0.74633(11) 0.38519(14) 0.0351(6) Uani 1 1 d . . .
H54A H 1.2578 0.7703 0.3409 0.042 Uiso 1 1 calc R . .
C55 C 1.2069(2) 0.70311(11) 0.39154(13) 0.0348(6) Uani 1 1 d . . .
H55A H 1.1449 0.6973 0.3516 0.042 Uiso 1 1 calc R . .
C56 C 1.23037(18) 0.66837(10) 0.45633(13) 0.0299(5) Uani 1 1 d . . .
H56A H 1.1839 0.6390 0.4605 0.036 Uiso 1 1 calc R . .
C61 C 1.19992(18) 0.79497(9) 0.62640(13) 0.0274(5) Uani 1 1 d . . .
C62 C 1.1478(2) 0.83354(11) 0.65901(16) 0.0428(7) Uani 1 1 d . . .
H62A H 1.1694 0.8390 0.7128 0.051 Uiso 1 1 calc R . .
C63 C 1.0645(2) 0.86416(13) 0.61363(17) 0.0528(8) Uani 1 1 d . . .
H63A H 1.0299 0.8908 0.6365 0.063 Uiso 1 1 calc R . .
C64 C 1.0315(2) 0.85633(12) 0.53584(16) 0.0439(7) Uani 1 1 d . . .
H64A H 0.9727 0.8764 0.5053 0.053 Uiso 1 1 calc R . .
C65 C 1.0834(2) 0.81949(11) 0.50215(15) 0.0397(6) Uani 1 1 d . . .
H65A H 1.0620 0.8149 0.4482 0.048 Uiso 1 1 calc R . .
C66 C 1.1674(2) 0.78911(11) 0.54730(14) 0.0371(6) Uani 1 1 d . . .
H66A H 1.2033 0.7638 0.5238 0.045 Uiso 1 1 calc R . .
C71 C 1.29627(19) 0.75837(10) 0.77907(13) 0.0287(5) Uani 1 1 d . . .
C72 C 1.3693(2) 0.78897(13) 0.83515(15) 0.0447(7) Uani 1 1 d . . .
H72A H 1.4284 0.8035 0.8253 0.054 Uiso 1 1 calc R . .
C73 C 1.3549(3) 0.79809(16) 0.90598(17) 0.0620(9) Uani 1 1 d . . .
H73A H 1.4051 0.8185 0.9448 0.074 Uiso 1 1 calc R . .
C74 C 1.2692(3) 0.77793(14) 0.92012(17) 0.0536(8) Uani 1 1 d . . .
H74A H 1.2594 0.7853 0.9681 0.064 Uiso 1 1 calc R . .
C75 C 1.1979(2) 0.74726(13) 0.86538(16) 0.0457(7) Uani 1 1 d . . .
H75A H 1.1390 0.7328 0.8757 0.055 Uiso 1 1 calc R . .
C76 C 1.2110(2) 0.73715(11) 0.79514(14) 0.0344(6) Uani 1 1 d . . .
H76A H 1.1614 0.7155 0.7575 0.041 Uiso 1 1 calc R . .
C81 C 1.41133(17) 0.85409(9) 0.62800(13) 0.0278(5) Uani 1 1 d . . .
H81A H 1.4252 0.8548 0.5790 0.042 Uiso 1 1 calc R . .
H81B H 1.4452 0.8872 0.6593 0.042 Uiso 1 1 calc R . .
H81C H 1.3378 0.8567 0.6191 0.042 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'
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'
Ru Ru -1.2594 0.8363 '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'
O O 0.0106 0.0060 '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
C81 Pd P3 90.09(7) . . ?
C81 Pd Cl2 90.75(7) . . ?
P3 Pd Cl2 177.51(2) . . ?
C81 Pd Cl1 175.00(7) . . ?
P3 Pd Cl1 87.44(2) . . ?
Cl2 Pd Cl1 91.90(2) . . ?
C2 Ru C1 38.04(9) . . ?
C2 Ru C3 38.15(10) . . ?
C1 Ru C3 62.68(9) . . ?
C2 Ru C5 63.58(9) . . ?
C1 Ru C5 37.52(9) . . ?
C3 Ru C5 62.47(9) . . ?
C2 Ru C4 63.32(10) . . ?
C1 Ru C4 62.67(10) . . ?
C3 Ru C4 36.89(10) . . ?
C5 Ru C4 37.68(9) . . ?
C2 Ru P2 109.53(7) . . ?
C1 Ru P2 91.11(7) . . ?
C3 Ru P2 147.68(7) . . ?
C5 Ru P2 108.75(7) . . ?
C4 Ru P2 146.35(7) . . ?
C2 Ru P1 98.15(7) . . ?
C1 Ru P1 134.92(7) . . ?
C3 Ru P1 89.11(7) . . ?
C5 Ru P1 151.03(7) . . ?
C4 Ru P1 115.03(7) . . ?
P2 Ru P1 98.33(2) . . ?
C2 Ru Cl1 157.80(7) . . ?
C1 Ru Cl1 135.86(7) . . ?
C3 Ru Cl1 121.45(7) . . ?
C5 Ru Cl1 101.34(7) . . ?
C4 Ru Cl1 94.68(7) . . ?
P2 Ru Cl1 90.33(2) . . ?
P1 Ru Cl1 88.314(19) . . ?
Ru Cl1 Pd 104.82(2) . . ?
C11 P1 C21 104.41(10) . . ?
C11 P1 C31 102.10(10) . . ?
C21 P1 C31 98.88(10) . . ?
C11 P1 Ru 110.50(7) . . ?
C21 P1 Ru 123.53(7) . . ?
C31 P1 Ru 114.82(7) . . ?
C46 P2 C51 100.24(10) . . ?
C46 P2 C6 101.62(10) . . ?
C51 P2 C6 100.80(10) . . ?
C46 P2 Ru 114.23(7) . . ?
C51 P2 Ru 116.54(8) . . ?
C6 P2 Ru 120.39(7) . . ?
C71 P3 C61 101.99(11) . . ?
C71 P3 C6 103.67(10) . . ?
C61 P3 C6 103.15(10) . . ?
C71 P3 Pd 111.58(8) . . ?
C61 P3 Pd 120.56(8) . . ?
C6 P3 Pd 113.97(7) . . ?
C5 C1 C2 109.2(2) . . ?
C5 C1 Ru 72.42(13) . . ?
C2 C1 Ru 70.30(13) . . ?
C5 C1 H1A 125.4 . . ?
C2 C1 H1A 125.4 . . ?
Ru C1 H1A 125.4 . . ?
C1 C2 C3 106.7(2) . . ?
C1 C2 Ru 71.67(13) . . ?
C3 C2 Ru 72.47(14) . . ?
C1 C2 H2A 126.5 . . ?
C3 C2 H2A 126.5 . . ?
Ru C2 H2A 126.5 . . ?
C4 C3 C2 108.9(2) . . ?
C4 C3 Ru 72.07(15) . . ?
C2 C3 Ru 69.38(13) . . ?
C4 C3 H3A 125.5 . . ?
C2 C3 H3A 125.5 . . ?
Ru C3 H3A 125.5 . . ?
C3 C4 C5 108.1(2) . . ?
C3 C4 Ru 71.04(14) . . ?
C5 C4 Ru 70.95(14) . . ?
C3 C4 H4A 125.9 . . ?
C5 C4 H4A 125.9 . . ?
Ru C4 H4A 125.9 . . ?
C1 C5 C4 107.2(2) . . ?
C1 C5 Ru 70.06(13) . . ?
C4 C5 Ru 71.37(13) . . ?
C1 C5 H5A 126.4 . . ?
C4 C5 H5A 126.4 . . ?
Ru C5 H5A 126.4 . . ?
P2 C6 P3 119.58(12) . . ?
P2 C6 H6A 107.4 . . ?
P3 C6 H6A 107.4 . . ?
P2 C6 H6B 107.4 . . ?
P3 C6 H6B 107.4 . . ?
H6A C6 H6B 107.0 . . ?
C16 C11 C12 118.3(2) . . ?
C16 C11 P1 122.29(18) . . ?
C12 C11 P1 119.12(17) . . ?
C13 C12 C11 120.5(2) . . ?
C13 C12 H12A 119.8 . . ?
C11 C12 H12A 119.8 . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 H13A 119.8 . . ?
C12 C13 H13A 119.8 . . ?
C13 C14 C15 119.9(2) . . ?
C13 C14 H14A 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C14 C15 C16 120.2(3) . . ?
C14 C15 H15A 119.9 . . ?
C16 C15 H15A 119.9 . . ?
C11 C16 C15 120.7(2) . . ?
C11 C16 H16A 119.7 . . ?
C15 C16 H16A 119.7 . . ?
C26 C21 C22 118.6(2) . . ?
C26 C21 P1 124.59(18) . . ?
C22 C21 P1 116.80(18) . . ?
C23 C22 C21 120.3(2) . . ?
C23 C22 H22A 119.9 . . ?
C21 C22 H22A 119.9 . . ?
C24 C23 C22 120.2(3) . . ?
C24 C23 H23A 119.9 . . ?
C22 C23 H23A 119.9 . . ?
C23 C24 C25 120.1(2) . . ?
C23 C24 H24A 119.9 . . ?
C25 C24 H24A 119.9 . . ?
C24 C25 C26 120.0(3) . . ?
C24 C25 H25A 120.0 . . ?
C26 C25 H25A 120.0 . . ?
C25 C26 C21 120.8(2) . . ?
C25 C26 H26A 119.6 . . ?
C21 C26 H26A 119.6 . . ?
C32 C31 C36 118.9(2) . . ?
C32 C31 P1 120.90(17) . . ?
C36 C31 P1 120.12(17) . . ?
C31 C32 C33 120.7(2) . . ?
C31 C32 H32A 119.7 . . ?
C33 C32 H32A 119.7 . . ?
C32 C33 C34 119.7(2) . . ?
C32 C33 H33A 120.2 . . ?
C34 C33 H33A 120.2 . . ?
C35 C34 C33 120.1(2) . . ?
C35 C34 H34A 119.9 . . ?
C33 C34 H34A 119.9 . . ?
C34 C35 C36 120.2(2) . . ?
C34 C35 H35A 119.9 . . ?
C36 C35 H35A 119.9 . . ?
C31 C36 C35 120.4(2) . . ?
C31 C36 H36A 119.8 . . ?
C35 C36 H36A 119.8 . . ?
C46 C41 C42 120.7(2) . . ?
C46 C41 H41A 119.6 . . ?
C42 C41 H41A 119.6 . . ?
C43 C42 C41 119.7(3) . . ?
C43 C42 H42A 120.1 . . ?
C41 C42 H42A 120.1 . . ?
C42 C43 C44 120.6(2) . . ?
C42 C43 H43A 119.7 . . ?
C44 C43 H43A 119.7 . . ?
C45 C44 C43 119.9(2) . . ?
C45 C44 H44A 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C44 C45 C46 120.9(2) . . ?
C44 C45 H45A 119.6 . . ?
C46 C45 H45A 119.6 . . ?
C41 C46 C45 118.1(2) . . ?
C41 C46 P2 123.94(17) . . ?
C45 C46 P2 117.90(17) . . ?
C52 C51 C56 118.2(2) . . ?
C52 C51 P2 120.24(17) . . ?
C56 C51 P2 121.31(17) . . ?
C51 C52 C53 120.9(2) . . ?
C51 C52 H52A 119.6 . . ?
C53 C52 H52A 119.6 . . ?
C54 C53 C52 120.0(2) . . ?
C54 C53 H53A 120.0 . . ?
C52 C53 H53A 120.0 . . ?
C53 C54 C55 119.9(2) . . ?
C53 C54 H54A 120.1 . . ?
C55 C54 H54A 120.1 . . ?
C54 C55 C56 119.9(2) . . ?
C54 C55 H55A 120.1 . . ?
C56 C55 H55A 120.1 . . ?
C55 C56 C51 121.1(2) . . ?
C55 C56 H56A 119.4 . . ?
C51 C56 H56A 119.4 . . ?
C62 C61 C66 118.1(2) . . ?
C62 C61 P3 122.10(19) . . ?
C66 C61 P3 119.78(18) . . ?
C63 C62 C61 120.5(3) . . ?
C63 C62 H62A 119.8 . . ?
C61 C62 H62A 119.8 . . ?
C64 C63 C62 120.5(3) . . ?
C64 C63 H63A 119.7 . . ?
C62 C63 H63A 119.7 . . ?
C63 C64 C65 120.0(3) . . ?
C63 C64 H64A 120.0 . . ?
C65 C64 H64A 120.0 . . ?
C64 C65 C66 119.7(3) . . ?
C64 C65 H65A 120.2 . . ?
C66 C65 H65A 120.2 . . ?
C65 C66 C61 121.2(2) . . ?
C65 C66 H66A 119.4 . . ?
C61 C66 H66A 119.4 . . ?
C76 C71 C72 119.2(2) . . ?
C76 C71 P3 121.91(18) . . ?
C72 C71 P3 118.7(2) . . ?
C71 C72 C73 119.3(3) . . ?
C71 C72 H72A 120.4 . . ?
C73 C72 H72A 120.4 . . ?
C74 C73 C72 120.7(3) . . ?
C74 C73 H73A 119.7 . . ?
C72 C73 H73A 119.7 . . ?
C75 C74 C73 120.2(3) . . ?
C75 C74 H74A 119.9 . . ?
C73 C74 H74A 119.9 . . ?
C74 C75 C76 120.2(3) . . ?
C74 C75 H75A 119.9 . . ?
C76 C75 H75A 119.9 . . ?
C75 C76 C71 120.5(3) . . ?
C75 C76 H76A 119.7 . . ?
C71 C76 H76A 119.7 . . ?
Pd C81 H81A 109.5 . . ?
Pd C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
Pd C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
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
Pd C81 2.081(2) . ?
Pd P3 2.2208(6) . ?
Pd Cl2 2.3843(6) . ?
Pd Cl1 2.4479(5) . ?
Ru C2 2.173(2) . ?
Ru C1 2.191(2) . ?
Ru C3 2.214(2) . ?
Ru C5 2.222(2) . ?
Ru C4 2.227(2) . ?
Ru P2 2.3039(6) . ?
Ru P1 2.3282(6) . ?
Ru Cl1 2.4436(5) . ?
P1 C11 1.833(2) . ?
P1 C21 1.837(2) . ?
P1 C31 1.841(2) . ?
P2 C46 1.829(2) . ?
P2 C51 1.843(2) . ?
P2 C6 1.853(2) . ?
P3 C71 1.822(2) . ?
P3 C61 1.831(2) . ?
P3 C6 1.854(2) . ?
C1 C5 1.419(4) . ?
C1 C2 1.422(3) . ?
C1 H1A 1.0000 . ?
C2 C3 1.434(4) . ?
C2 H2A 1.0000 . ?
C3 C4 1.405(4) . ?
C3 H3A 1.0000 . ?
C4 C5 1.437(3) . ?
C4 H4A 1.0000 . ?
C5 H5A 1.0000 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C11 C16 1.388(3) . ?
C11 C12 1.400(3) . ?
C12 C13 1.388(3) . ?
C12 H12A 0.9500 . ?
C13 C14 1.374(4) . ?
C13 H13A 0.9500 . ?
C14 C15 1.374(4) . ?
C14 H14A 0.9500 . ?
C15 C16 1.396(3) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C21 C26 1.387(3) . ?
C21 C22 1.400(3) . ?
C22 C23 1.389(4) . ?
C22 H22A 0.9500 . ?
C23 C24 1.375(4) . ?
C23 H23A 0.9500 . ?
C24 C25 1.380(4) . ?
C24 H24A 0.9500 . ?
C25 C26 1.387(4) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C31 C32 1.390(3) . ?
C31 C36 1.393(3) . ?
C32 C33 1.392(3) . ?
C32 H32A 0.9500 . ?
C33 C34 1.392(4) . ?
C33 H33A 0.9500 . ?
C34 C35 1.374(4) . ?
C34 H34A 0.9500 . ?
C35 C36 1.396(3) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C41 C46 1.391(3) . ?
C41 C42 1.397(3) . ?
C41 H41A 0.9500 . ?
C42 C43 1.376(4) . ?
C42 H42A 0.9500 . ?
C43 C44 1.380(4) . ?
C43 H43A 0.9500 . ?
C44 C45 1.379(3) . ?
C44 H44A 0.9500 . ?
C45 C46 1.409(3) . ?
C45 H45A 0.9500 . ?
C51 C52 1.390(3) . ?
C51 C56 1.395(3) . ?
C52 C53 1.394(3) . ?
C52 H52A 0.9500 . ?
C53 C54 1.383(4) . ?
C53 H53A 0.9500 . ?
C54 C55 1.385(4) . ?
C54 H54A 0.9500 . ?
C55 C56 1.386(3) . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
C61 C62 1.389(3) . ?
C61 C66 1.391(3) . ?
C62 C63 1.386(4) . ?
C62 H62A 0.9500 . ?
C63 C64 1.374(4) . ?
C63 H63A 0.9500 . ?
C64 C65 1.375(4) . ?
C64 H64A 0.9500 . ?
C65 C66 1.387(4) . ?
C65 H65A 0.9500 . ?
C66 H66A 0.9500 . ?
C71 C76 1.389(4) . ?
C71 C72 1.390(3) . ?
C72 C73 1.395(4) . ?
C72 H72A 0.9500 . ?
C73 C74 1.370(5) . ?
C73 H73A 0.9500 . ?
C74 C75 1.366(4) . ?
C74 H74A 0.9500 . ?
C75 C76 1.381(4) . ?
C75 H75A 0.9500 . ?
C76 H76A 0.9500 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
