#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:20:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179838 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/34/7013437.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_7013437
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            'C52 H46 Cl14 I P3 Pd Ru'
_chemical_formula_weight         1594.47
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.508(2)
_cell_angle_beta                 96.142(2)
_cell_angle_gamma                90.895(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4480(13)
_cell_length_b                   12.2567(14)
_cell_length_c                   22.402(3)
_cell_measurement_reflns_used    149
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     3089.3(6)
_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      173(2)
_diffrn_measured_fraction_theta_full 0.935
_diffrn_measured_fraction_theta_max 0.935
_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  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            26139
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         0.92
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.753
_exptl_absorpt_correction_T_max  0.8572
_exptl_absorpt_correction_T_min  0.7580
_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    1.714
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.827
_refine_diff_density_min         -2.275
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     689
_refine_ls_number_reflns         13243
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0683P)²+5.0185P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1233
_refine_ls_wR_factor_ref         0.1298
_reflns_number_gt                10596
_reflns_number_total             13243
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b307990b.txt
_cod_data_source_block           yy06
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        3089.2(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013437
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Ru1 Ru 0.56023(3) -0.06920(3) 0.276598(15) 0.02181(9) Uani 1 1 d . . .
Pd1 Pd 0.57995(3) -0.39816(3) 0.218036(15) 0.02245(9) Uani 1 1 d . . .
I1 I 0.64137(3) -0.25461(2) 0.313228(13) 0.02621(9) Uani 1 1 d . . .
P1 P 0.71027(10) 0.03638(10) 0.33856(5) 0.0238(2) Uani 1 1 d . . .
P2 P 0.65441(10) -0.10464(9) 0.18932(5) 0.0228(2) Uani 1 1 d . . .
P3 P 0.75051(10) -0.35268(10) 0.18677(5) 0.0228(2) Uani 1 1 d . . .
Cl1 Cl 0.53322(10) -0.54067(9) 0.13585(5) 0.0303(2) Uani 1 1 d . . .
Cl2 Cl 0.39647(10) -0.42726(11) 0.25419(6) 0.0356(3) Uani 1 1 d . . .
C1 C 0.4309(4) 0.0325(5) 0.3246(2) 0.0360(12) Uani 1 1 d . . .
H1 H 0.4486 0.0861 0.3629 0.043 Uiso 1 1 calc R . .
C2 C 0.3956(4) -0.0798(5) 0.3206(2) 0.0363(12) Uani 1 1 d . . .
H2 H 0.3852 -0.1195 0.3557 0.044 Uiso 1 1 calc R . .
C3 C 0.3711(4) -0.1250(4) 0.2580(2) 0.0345(11) Uani 1 1 d . . .
H3 H 0.3401 -0.2013 0.2413 0.041 Uiso 1 1 calc R . .
C4 C 0.3922(4) -0.0387(4) 0.2240(2) 0.0346(11) Uani 1 1 d . . .
H4 H 0.3787 -0.0448 0.1788 0.042 Uiso 1 1 calc R . .
C5 C 0.4310(4) 0.0573(5) 0.2638(2) 0.0368(11) Uani 1 1 d . . .
H5 H 0.4468 0.1314 0.2522 0.044 Uiso 1 1 calc R . .
C6 C 0.7761(4) -0.2031(4) 0.1854(2) 0.0237(9) Uani 1 1 d . . .
H6A H 0.8118 -0.1968 0.1476 0.028 Uiso 1 1 calc R . .
H6B H 0.8365 -0.1761 0.2196 0.028 Uiso 1 1 calc R . .
C11 C 0.7310(4) 0.0101(4) 0.4177(2) 0.0274(10) Uani 1 1 d . . .
C12 C 0.6423(5) -0.0430(4) 0.4424(2) 0.0350(11) Uani 1 1 d . . .
H12A H 0.5721 -0.0687 0.4174 0.042 Uiso 1 1 calc R . .
C13 C 0.6552(5) -0.0583(5) 0.5024(2) 0.0437(13) Uani 1 1 d . . .
H13A H 0.5934 -0.0931 0.5184 0.052 Uiso 1 1 calc R . .
C14 C 0.7573(6) -0.0235(5) 0.5394(2) 0.0479(15) Uani 1 1 d . . .
H14A H 0.7662 -0.0352 0.5806 0.057 Uiso 1 1 calc R . .
C15 C 0.8454(5) 0.0279(5) 0.5162(2) 0.0472(14) Uani 1 1 d . . .
H15A H 0.9158 0.0517 0.5415 0.057 Uiso 1 1 calc R . .
C16 C 0.8331(5) 0.0457(5) 0.4558(2) 0.0357(11) Uani 1 1 d . . .
H16A H 0.8946 0.0824 0.4405 0.043 Uiso 1 1 calc R . .
C21 C 0.6765(4) 0.1837(4) 0.3473(2) 0.0270(9) Uani 1 1 d . . .
C22 C 0.6663(5) 0.2473(5) 0.4023(2) 0.0420(13) Uani 1 1 d . . .
H22A H 0.6819 0.2168 0.4388 0.050 Uiso 1 1 calc R . .
C23 C 0.6329(7) 0.3576(5) 0.4046(3) 0.0598(19) Uani 1 1 d . . .
H23A H 0.6246 0.4009 0.4426 0.072 Uiso 1 1 calc R . .
C24 C 0.6120(6) 0.4032(5) 0.3519(3) 0.0497(15) Uani 1 1 d . . .
H24A H 0.5914 0.4783 0.3538 0.060 Uiso 1 1 calc R . .
C25 C 0.6211(5) 0.3394(4) 0.2966(2) 0.0413(13) Uani 1 1 d . . .
H25A H 0.6050 0.3699 0.2601 0.050 Uiso 1 1 calc R . .
C26 C 0.6538(5) 0.2309(4) 0.2945(2) 0.0357(11) Uani 1 1 d . . .
H26A H 0.6609 0.1876 0.2563 0.043 Uiso 1 1 calc R . .
C31 C 0.8636(4) 0.0371(4) 0.3218(2) 0.0307(10) Uani 1 1 d . . .
C32 C 0.9255(4) -0.0595(5) 0.3217(2) 0.0362(11) Uani 1 1 d . . .
H32A H 0.8882 -0.1244 0.3302 0.043 Uiso 1 1 calc R . .
C33 C 1.0432(5) -0.0613(6) 0.3092(3) 0.0492(15) Uani 1 1 d . . .
H33A H 1.0857 -0.1271 0.3099 0.059 Uiso 1 1 calc R . .
C34 C 1.0968(5) 0.0318(6) 0.2959(3) 0.0552(17) Uani 1 1 d . . .
H34A H 1.1760 0.0301 0.2868 0.066 Uiso 1 1 calc R . .
C35 C 1.0372(6) 0.1256(6) 0.2959(3) 0.0606(18) Uani 1 1 d . . .
H35A H 1.0754 0.1897 0.2871 0.073 Uiso 1 1 calc R . .
C36 C 0.9202(5) 0.1309(5) 0.3086(3) 0.0464(14) Uani 1 1 d . . .
H36A H 0.8797 0.1978 0.3081 0.056 Uiso 1 1 calc R . .
C41 C 0.5596(4) -0.1607(4) 0.1202(2) 0.0275(10) Uani 1 1 d . . .
C42 C 0.5774(5) -0.1359(5) 0.0630(2) 0.0397(12) Uani 1 1 d . . .
H42A H 0.6365 -0.0827 0.0594 0.048 Uiso 1 1 calc R . .
C43 C 0.5089(6) -0.1888(6) 0.0108(2) 0.0508(15) Uani 1 1 d . . .
H43A H 0.5203 -0.1702 -0.0279 0.061 Uiso 1 1 calc R . .
C44 C 0.4249(5) -0.2680(5) 0.0158(3) 0.0484(15) Uani 1 1 d . . .
H44A H 0.3798 -0.3052 -0.0196 0.058 Uiso 1 1 calc R . .
C45 C 0.4062(5) -0.2931(5) 0.0715(2) 0.0399(12) Uani 1 1 d . . .
H45A H 0.3486 -0.3480 0.0746 0.048 Uiso 1 1 calc R . .
C46 C 0.4711(4) -0.2388(4) 0.1235(2) 0.0296(10) Uani 1 1 d . . .
H46A H 0.4552 -0.2549 0.1621 0.036 Uiso 1 1 calc R . .
C51 C 0.7219(5) 0.0156(4) 0.1652(2) 0.0305(10) Uani 1 1 d . . .
C52 C 0.6470(6) 0.0983(4) 0.1493(2) 0.0402(12) Uani 1 1 d . . .
H52A H 0.5645 0.0883 0.1492 0.048 Uiso 1 1 calc R . .
C53 C 0.6916(8) 0.1941(5) 0.1337(3) 0.0572(19) Uani 1 1 d . . .
H53A H 0.6398 0.2496 0.1229 0.069 Uiso 1 1 calc R . .
C54 C 0.8113(8) 0.2095(6) 0.1339(3) 0.067(2) Uani 1 1 d . . .
H54A H 0.8416 0.2758 0.1234 0.081 Uiso 1 1 calc R . .
C55 C 0.8877(7) 0.1290(6) 0.1491(3) 0.066(2) Uani 1 1 d . . .
H55A H 0.9700 0.1396 0.1487 0.079 Uiso 1 1 calc R . .
C56 C 0.8424(5) 0.0316(5) 0.1653(3) 0.0455(14) Uani 1 1 d . . .
H56A H 0.8944 -0.0236 0.1762 0.055 Uiso 1 1 calc R . .
C61 C 0.8757(4) -0.3910(4) 0.2350(2) 0.0307(10) Uani 1 1 d . . .
C62 C 0.8608(5) -0.4747(5) 0.2689(3) 0.0453(14) Uani 1 1 d . . .
H62A H 0.7846 -0.5064 0.2692 0.054 Uiso 1 1 calc R . .
C63 C 0.9576(7) -0.5132(6) 0.3029(3) 0.067(2) Uani 1 1 d . . .
H63A H 0.9474 -0.5700 0.3267 0.081 Uiso 1 1 calc R . .
C64 C 1.0673(6) -0.4674(7) 0.3013(3) 0.070(2) Uani 1 1 d . . .
H64A H 1.1332 -0.4938 0.3238 0.084 Uiso 1 1 calc R . .
C65 C 1.0835(5) -0.3850(6) 0.2681(4) 0.0630(19) Uani 1 1 d . . .
H65A H 1.1600 -0.3541 0.2678 0.076 Uiso 1 1 calc R . .
C66 C 0.9885(4) -0.3464(5) 0.2347(3) 0.0452(14) Uani 1 1 d . . .
H66A H 1.0001 -0.2891 0.2115 0.054 Uiso 1 1 calc R . .
C71 C 0.7784(4) -0.4172(4) 0.1108(2) 0.0253(9) Uani 1 1 d . . .
C72 C 0.7081(5) -0.3938(5) 0.0604(2) 0.0389(12) Uani 1 1 d . . .
H72A H 0.6439 -0.3463 0.0654 0.047 Uiso 1 1 calc R . .
C73 C 0.7315(5) -0.4399(5) 0.0025(2) 0.0432(13) Uani 1 1 d . . .
H73A H 0.6846 -0.4220 -0.0322 0.052 Uiso 1 1 calc R . .
C74 C 0.8223(5) -0.5112(5) -0.0048(2) 0.0392(12) Uani 1 1 d . . .
H74A H 0.8388 -0.5420 -0.0444 0.047 Uiso 1 1 calc R . .
C75 C 0.8885(5) -0.5374(5) 0.0449(3) 0.0428(13) Uani 1 1 d . . .
H75A H 0.9497 -0.5882 0.0397 0.051 Uiso 1 1 calc R . .
C76 C 0.8684(4) -0.4915(4) 0.1032(2) 0.0354(11) Uani 1 1 d . . .
H76A H 0.9154 -0.5105 0.1375 0.042 Uiso 1 1 calc R . .
C84 C 0.3912(7) 0.6254(6) 0.4099(3) 0.0636(19) Uani 1 1 d . . .
H84 H 0.4093 0.6196 0.3669 0.076 Uiso 1 1 calc R . .
Cl9 Cl 0.5225(2) 0.65333(19) 0.45767(9) 0.0787(6) Uani 1 1 d . . .
Cl10 Cl 0.2919(2) 0.73069(19) 0.42304(10) 0.0924(8) Uani 1 1 d . . .
Cl11 Cl 0.3292(2) 0.49860(17) 0.42042(9) 0.0738(5) Uani 1 1 d . . .
C83 C 1.2787(5) -0.6733(5) 0.1768(3) 0.0440(13) Uani 1 1 d . . .
H83 H 1.3426 -0.6165 0.1774 0.053 Uiso 1 1 calc R . .
Cl12 Cl 1.27083(16) -0.69877(14) 0.25095(9) 0.0621(4) Uani 1 1 d . . .
Cl13 Cl 1.3127(2) -0.79440(19) 0.13035(10) 0.0824(6) Uiso 1 1 d . . .
Cl14 Cl 1.1456(2) -0.62251(19) 0.14695(10) 0.0826(6) Uiso 1 1 d . . .
C82 C 1.1156(16) -0.1706(16) 0.0521(8) 0.086(5) Uiso 0.535(11) 1 d P A 1
H82 H 1.1611 -0.2397 0.0470 0.103 Uiso 0.535(11) 1 calc PR A 1
Cl6 Cl 1.1565(7) -0.0966(9) 0.0156(4) 0.134(4) Uani 0.535(11) 1 d P A 1
Cl7 Cl 1.1193(5) -0.1149(9) 0.1373(3) 0.110(3) Uani 0.535(11) 1 d P A 1
Cl8 Cl 0.9464(7) -0.2094(6) 0.0402(3) 0.099(2) Uani 0.535(11) 1 d P A 1
C82' C 1.0485(14) -0.1019(13) 0.0647(7) 0.060(4) Uiso 0.465(11) 1 d P A 2
H82' H 0.9955 -0.0493 0.0862 0.072 Uiso 0.465(11) 1 calc PR A 2
Cl6' Cl 1.1607(12) -0.0374(7) 0.0495(9) 0.200(6) Uani 0.465(11) 1 d P A 2
Cl7' Cl 1.1227(9) -0.2016(16) 0.1217(5) 0.166(6) Uani 0.465(11) 1 d P A 2
Cl8' Cl 0.9753(7) -0.1854(8) 0.0145(6) 0.114(3) Uani 0.465(11) 1 d P A 2
C81 C -0.0630(6) 0.6394(6) 0.4910(3) 0.233(10) Uiso 1 1 d D . .
Cl3' Cl 0.0751(8) 0.6202(11) 0.4782(7) 0.81(4) Uani 0.567(7) 1 d PD B 3
Cl3 Cl -0.1097(13) 0.7179(8) 0.5494(4) 0.231(9) Uani 0.433(7) 1 d PD B 4
Cl4' Cl -0.1277(10) 0.7154(8) 0.4431(3) 0.301(10) Uani 0.567(7) 1 d PD B 3
Cl4 Cl -0.0023(12) 0.7159(9) 0.4466(5) 0.320(15) Uani 0.433(7) 1 d PD B 4
Cl5' Cl -0.0678(14) 0.7003(7) 0.5620(3) 0.424(18) Uani 0.567(7) 1 d PD B 3
Cl5 Cl -0.1720(8) 0.5626(7) 0.4505(3) 0.155(5) Uani 0.433(7) 1 d PD B 4
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'
I I -0.4742 1.8119 '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
C5 Ru1 C4 37.13(19) . . ?
C5 Ru1 C1 38.2(2) . . ?
C4 Ru1 C1 62.20(19) . . ?
C5 Ru1 C2 63.0(2) . . ?
C4 Ru1 C2 62.08(19) . . ?
C1 Ru1 C2 37.1(2) . . ?
C5 Ru1 C3 62.8(2) . . ?
C4 Ru1 C3 37.34(19) . . ?
C1 Ru1 C3 62.32(19) . . ?
C2 Ru1 C3 37.22(19) . . ?
C5 Ru1 P2 108.26(14) . . ?
C4 Ru1 P2 92.08(14) . . ?
C1 Ru1 P2 146.29(15) . . ?
C2 Ru1 P2 148.18(14) . . ?
C3 Ru1 P2 110.96(14) . . ?
C5 Ru1 P1 100.57(15) . . ?
C4 Ru1 P1 137.01(14) . . ?
C1 Ru1 P1 88.67(14) . . ?
C2 Ru1 P1 113.31(14) . . ?
C3 Ru1 P1 149.59(14) . . ?
P2 Ru1 P1 98.19(4) . . ?
C5 Ru1 I1 155.70(14) . . ?
C4 Ru1 I1 130.37(14) . . ?
C1 Ru1 I1 122.26(15) . . ?
C2 Ru1 I1 92.85(14) . . ?
C3 Ru1 I1 96.64(14) . . ?
P2 Ru1 I1 90.70(3) . . ?
P1 Ru1 I1 91.31(3) . . ?
P3 Pd1 Cl1 93.88(4) . . ?
P3 Pd1 Cl2 174.26(5) . . ?
Cl1 Pd1 Cl2 90.61(4) . . ?
P3 Pd1 I1 85.88(3) . . ?
Cl1 Pd1 I1 174.85(3) . . ?
Cl2 Pd1 I1 89.96(3) . . ?
Pd1 I1 Ru1 101.408(16) . . ?
C31 P1 C21 102.6(2) . . ?
C31 P1 C11 100.0(2) . . ?
C21 P1 C11 102.5(2) . . ?
C31 P1 Ru1 123.30(15) . . ?
C21 P1 Ru1 110.69(15) . . ?
C11 P1 Ru1 115.12(16) . . ?
C41 P2 C51 100.9(2) . . ?
C41 P2 C6 100.4(2) . . ?
C51 P2 C6 101.2(2) . . ?
C41 P2 Ru1 115.25(16) . . ?
C51 P2 Ru1 115.75(15) . . ?
C6 P2 Ru1 120.29(15) . . ?
C61 P3 C71 103.2(2) . . ?
C61 P3 C6 104.4(2) . . ?
C71 P3 C6 103.5(2) . . ?
C61 P3 Pd1 112.14(17) . . ?
C71 P3 Pd1 116.66(15) . . ?
C6 P3 Pd1 115.38(14) . . ?
C2 C1 C5 107.9(5) . . ?
C2 C1 Ru1 72.0(3) . . ?
C5 C1 Ru1 69.9(3) . . ?
C2 C1 H1 126.0 . . ?
C5 C1 H1 126.0 . . ?
Ru1 C1 H1 126.0 . . ?
C1 C2 C3 108.3(5) . . ?
C1 C2 Ru1 70.9(3) . . ?
C3 C2 Ru1 71.7(3) . . ?
C1 C2 H2 125.8 . . ?
C3 C2 H2 125.8 . . ?
Ru1 C2 H2 125.8 . . ?
C4 C3 C2 107.0(5) . . ?
C4 C3 Ru1 70.4(3) . . ?
C2 C3 Ru1 71.1(3) . . ?
C4 C3 H3 126.5 . . ?
C2 C3 H3 126.5 . . ?
Ru1 C3 H3 126.5 . . ?
C5 C4 C3 109.5(5) . . ?
C5 C4 Ru1 70.5(3) . . ?
C3 C4 Ru1 72.3(3) . . ?
C5 C4 H4 125.2 . . ?
C3 C4 H4 125.2 . . ?
Ru1 C4 H4 125.2 . . ?
C4 C5 C1 107.2(5) . . ?
C4 C5 Ru1 72.4(3) . . ?
C1 C5 Ru1 71.9(3) . . ?
C4 C5 H5 126.2 . . ?
C1 C5 H5 126.2 . . ?
Ru1 C5 H5 126.2 . . ?
P3 C6 P2 121.7(2) . . ?
P3 C6 H6A 106.9 . . ?
P2 C6 H6A 106.9 . . ?
P3 C6 H6B 106.9 . . ?
P2 C6 H6B 106.9 . . ?
H6A C6 H6B 106.7 . . ?
C16 C11 C12 117.7(4) . . ?
C16 C11 P1 121.4(4) . . ?
C12 C11 P1 120.8(4) . . ?
C13 C12 C11 121.0(5) . . ?
C13 C12 H12A 119.5 . . ?
C11 C12 H12A 119.5 . . ?
C12 C13 C14 120.6(5) . . ?
C12 C13 H13A 119.7 . . ?
C14 C13 H13A 119.7 . . ?
C15 C14 C13 119.4(5) . . ?
C15 C14 H14A 120.3 . . ?
C13 C14 H14A 120.3 . . ?
C14 C15 C16 120.8(5) . . ?
C14 C15 H15A 119.6 . . ?
C16 C15 H15A 119.6 . . ?
C11 C16 C15 120.4(5) . . ?
C11 C16 H16A 119.8 . . ?
C15 C16 H16A 119.8 . . ?
C22 C21 C26 118.7(5) . . ?
C22 C21 P1 123.7(4) . . ?
C26 C21 P1 117.5(4) . . ?
C21 C22 C23 120.1(5) . . ?
C21 C22 H22A 119.9 . . ?
C23 C22 H22A 119.9 . . ?
C24 C23 C22 120.4(5) . . ?
C24 C23 H23A 119.8 . . ?
C22 C23 H23A 119.8 . . ?
C23 C24 C25 119.7(5) . . ?
C23 C24 H24A 120.1 . . ?
C25 C24 H24A 120.1 . . ?
C24 C25 C26 119.7(5) . . ?
C24 C25 H25A 120.1 . . ?
C26 C25 H25A 120.1 . . ?
C25 C26 C21 121.4(5) . . ?
C25 C26 H26A 119.3 . . ?
C21 C26 H26A 119.3 . . ?
C32 C31 C36 118.7(5) . . ?
C32 C31 P1 118.8(4) . . ?
C36 C31 P1 122.5(4) . . ?
C31 C32 C33 120.1(6) . . ?
C31 C32 H32A 119.9 . . ?
C33 C32 H32A 119.9 . . ?
C34 C33 C32 120.1(6) . . ?
C34 C33 H33A 119.9 . . ?
C32 C33 H33A 119.9 . . ?
C35 C34 C33 119.9(5) . . ?
C35 C34 H34A 120.0 . . ?
C33 C34 H34A 120.0 . . ?
C34 C35 C36 121.6(6) . . ?
C34 C35 H35A 119.2 . . ?
C36 C35 H35A 119.2 . . ?
C31 C36 C35 119.5(6) . . ?
C31 C36 H36A 120.2 . . ?
C35 C36 H36A 120.2 . . ?
C42 C41 C46 117.8(4) . . ?
C42 C41 P2 122.8(4) . . ?
C46 C41 P2 119.1(3) . . ?
C41 C42 C43 120.5(5) . . ?
C41 C42 H42A 119.7 . . ?
C43 C42 H42A 119.7 . . ?
C44 C43 C42 119.8(5) . . ?
C44 C43 H43A 120.1 . . ?
C42 C43 H43A 120.1 . . ?
C45 C44 C43 120.3(5) . . ?
C45 C44 H44A 119.8 . . ?
C43 C44 H44A 119.8 . . ?
C44 C45 C46 120.2(5) . . ?
C44 C45 H45A 119.9 . . ?
C46 C45 H45A 119.9 . . ?
C45 C46 C41 121.2(5) . . ?
C45 C46 H46A 119.4 . . ?
C41 C46 H46A 119.4 . . ?
C56 C51 C52 118.9(5) . . ?
C56 C51 P2 123.8(4) . . ?
C52 C51 P2 117.2(4) . . ?
C53 C52 C51 120.7(6) . . ?
C53 C52 H52A 119.6 . . ?
C51 C52 H52A 119.6 . . ?
C52 C53 C54 120.0(6) . . ?
C52 C53 H53A 120.0 . . ?
C54 C53 H53A 120.0 . . ?
C53 C54 C55 120.6(6) . . ?
C53 C54 H54A 119.7 . . ?
C55 C54 H54A 119.7 . . ?
C54 C55 C56 119.4(7) . . ?
C54 C55 H55A 120.3 . . ?
C56 C55 H55A 120.3 . . ?
C51 C56 C55 120.3(6) . . ?
C51 C56 H56A 119.9 . . ?
C55 C56 H56A 119.9 . . ?
C62 C61 C66 118.9(5) . . ?
C62 C61 P3 118.6(4) . . ?
C66 C61 P3 122.2(4) . . ?
C61 C62 C63 120.4(6) . . ?
C61 C62 H62A 119.8 . . ?
C63 C62 H62A 119.8 . . ?
C64 C63 C62 119.0(7) . . ?
C64 C63 H63A 120.5 . . ?
C62 C63 H63A 120.5 . . ?
C65 C64 C63 121.3(6) . . ?
C65 C64 H64A 119.3 . . ?
C63 C64 H64A 119.3 . . ?
C64 C65 C66 119.9(6) . . ?
C64 C65 H65A 120.0 . . ?
C66 C65 H65A 120.0 . . ?
C65 C66 C61 120.4(6) . . ?
C65 C66 H66A 119.8 . . ?
C61 C66 H66A 119.8 . . ?
C72 C71 C76 119.6(5) . . ?
C72 C71 P3 119.8(4) . . ?
C76 C71 P3 120.6(4) . . ?
C71 C72 C73 119.9(5) . . ?
C71 C72 H72A 120.1 . . ?
C73 C72 H72A 120.1 . . ?
C74 C73 C72 120.2(5) . . ?
C74 C73 H73A 119.9 . . ?
C72 C73 H73A 119.9 . . ?
C75 C74 C73 119.7(5) . . ?
C75 C74 H74A 120.2 . . ?
C73 C74 H74A 120.2 . . ?
C74 C75 C76 121.4(5) . . ?
C74 C75 H75A 119.3 . . ?
C76 C75 H75A 119.3 . . ?
C75 C76 C71 119.2(5) . . ?
C75 C76 H76A 120.4 . . ?
C71 C76 H76A 120.4 . . ?
Cl10 C84 Cl9 111.4(4) . . ?
Cl10 C84 Cl11 110.4(4) . . ?
Cl9 C84 Cl11 109.6(4) . . ?
Cl10 C84 H84 108.5 . . ?
Cl9 C84 H84 108.5 . . ?
Cl11 C84 H84 108.5 . . ?
Cl12 C83 Cl13 110.3(3) . . ?
Cl12 C83 Cl14 110.9(3) . . ?
Cl13 C83 Cl14 109.9(3) . . ?
Cl12 C83 H83 108.6 . . ?
Cl13 C83 H83 108.6 . . ?
Cl14 C83 H83 108.6 . . ?
Cl6 C82 Cl7 116.0(12) . . ?
Cl6 C82 Cl8 117.1(12) . . ?
Cl7 C82 Cl8 95.2(9) . . ?
Cl6 C82 H82 109.3 . . ?
Cl7 C82 H82 109.3 . . ?
Cl8 C82 H82 109.3 . . ?
Cl8' C82' Cl6' 120.6(12) . . ?
Cl8' C82' Cl7' 102.6(10) . . ?
Cl6' C82' Cl7' 101.7(10) . . ?
Cl8' C82' H82' 110.3 . . ?
Cl6' C82' H82' 110.3 . . ?
Cl7' C82' H82' 110.3 . . ?
Cl4' C81 Cl3 91.7(6) . . ?
Cl4' C81 Cl3' 110.4(4) . . ?
Cl3 C81 Cl3' 126.6(6) . . ?
Cl4' C81 Cl5 73.2(6) . . ?
Cl3 C81 Cl5 111.2(4) . . ?
Cl3' C81 Cl5 121.5(7) . . ?
Cl4' C81 Cl4 51.2(7) . . ?
Cl3 C81 Cl4 110.7(4) . . ?
Cl3' C81 Cl4 60.8(6) . . ?
Cl5 C81 Cl4 109.1(4) . . ?
Cl4' C81 Cl5' 110.2(4) . . ?
Cl3 C81 Cl5' 20.5(6) . . ?
Cl3' C81 Cl5' 109.6(4) . . ?
Cl5 C81 Cl5' 124.0(6) . . ?
Cl4 C81 Cl5' 115.0(6) . . ?
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
Ru1 C5 2.189(5) . ?
Ru1 C4 2.213(5) . ?
Ru1 C1 2.215(5) . ?
Ru1 C2 2.230(5) . ?
Ru1 C3 2.238(5) . ?
Ru1 P2 2.3212(12) . ?
Ru1 P1 2.3325(12) . ?
Ru1 I1 2.6749(5) . ?
Pd1 P3 2.2333(12) . ?
Pd1 Cl1 2.3528(12) . ?
Pd1 Cl2 2.3710(12) . ?
Pd1 I1 2.5822(5) . ?
P1 C31 1.834(5) . ?
P1 C21 1.839(5) . ?
P1 C11 1.840(5) . ?
P2 C41 1.831(4) . ?
P2 C51 1.831(5) . ?
P2 C6 1.858(4) . ?
P3 C61 1.812(5) . ?
P3 C71 1.831(5) . ?
P3 C6 1.857(5) . ?
C1 C2 1.416(8) . ?
C1 C5 1.439(7) . ?
C1 H1 1.0000 . ?
C2 C3 1.426(7) . ?
C2 H2 1.0000 . ?
C3 C4 1.425(7) . ?
C3 H3 1.0000 . ?
C4 C5 1.402(8) . ?
C4 H4 1.0000 . ?
C5 H5 1.0000 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C11 C16 1.395(7) . ?
C11 C12 1.403(7) . ?
C12 C13 1.376(7) . ?
C12 H12A 0.9500 . ?
C13 C14 1.381(8) . ?
C13 H13A 0.9500 . ?
C14 C15 1.370(9) . ?
C14 H14A 0.9500 . ?
C15 C16 1.395(7) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C21 C22 1.375(7) . ?
C21 C26 1.393(7) . ?
C22 C23 1.405(8) . ?
C22 H22A 0.9500 . ?
C23 C24 1.378(9) . ?
C23 H23A 0.9500 . ?
C24 C25 1.379(8) . ?
C24 H24A 0.9500 . ?
C25 C26 1.384(7) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C31 C32 1.389(7) . ?
C31 C36 1.395(7) . ?
C32 C33 1.405(7) . ?
C32 H32A 0.9500 . ?
C33 C34 1.373(9) . ?
C33 H33A 0.9500 . ?
C34 C35 1.346(10) . ?
C34 H34A 0.9500 . ?
C35 C36 1.398(8) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C41 C42 1.394(7) . ?
C41 C46 1.397(7) . ?
C42 C43 1.403(7) . ?
C42 H42A 0.9500 . ?
C43 C44 1.381(9) . ?
C43 H43A 0.9500 . ?
C44 C45 1.366(8) . ?
C44 H44A 0.9500 . ?
C45 C46 1.386(7) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C51 C56 1.390(8) . ?
C51 C52 1.400(7) . ?
C52 C53 1.379(8) . ?
C52 H52A 0.9500 . ?
C53 C54 1.380(11) . ?
C53 H53A 0.9500 . ?
C54 C55 1.384(11) . ?
C54 H54A 0.9500 . ?
C55 C56 1.405(8) . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
C61 C62 1.382(8) . ?
C61 C66 1.395(7) . ?
C62 C63 1.404(8) . ?
C62 H62A 0.9500 . ?
C63 C64 1.374(11) . ?
C63 H63A 0.9500 . ?
C64 C65 1.362(11) . ?
C64 H64A 0.9500 . ?
C65 C66 1.383(8) . ?
C65 H65A 0.9500 . ?
C66 H66A 0.9500 . ?
C71 C72 1.382(7) . ?
C71 C76 1.393(6) . ?
C72 C73 1.393(7) . ?
C72 H72A 0.9500 . ?
C73 C74 1.376(8) . ?
C73 H73A 0.9500 . ?
C74 C75 1.361(8) . ?
C74 H74A 0.9500 . ?
C75 C76 1.386(7) . ?
C75 H75A 0.9500 . ?
C76 H76A 0.9500 . ?
C84 Cl10 1.747(7) . ?
C84 Cl9 1.747(8) . ?
C84 Cl11 1.756(8) . ?
C84 H84 1.0000 . ?
C83 Cl12 1.746(6) . ?
C83 Cl13 1.757(6) . ?
C83 Cl14 1.758(6) . ?
C83 H83 1.0000 . ?
C82 Cl6 1.415(19) . ?
C82 Cl7 1.925(19) . ?
C82 Cl8 1.967(19) . ?
C82 H82 1.0000 . ?
C82' Cl8' 1.564(17) . ?
C82' Cl6' 1.59(2) . ?
C82' Cl7' 2.03(2) . ?
C82' H82' 1.0000 . ?
C81 Cl4' 1.648(5) . ?
C81 Cl3 1.648(5) . ?
C81 Cl3' 1.651(5) . ?
C81 Cl5 1.654(5) . ?
C81 Cl4 1.660(5) . ?
C81 Cl5' 1.660(5) . ?
