#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:09:59 +0100 (vie 25 de mar de 2016) $
#$Revision: 179742 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/38/7003806.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_7003806
loop_
_publ_author_name
'Ge, Qingchun'
'Hor, T. S. Andy'
_publ_section_title
;
 Stepwise assembly of linearly-aligned Ru--M--Ru (M = Pd, Pt)
 heterotrimetallic complexes with σ-4-ethynylpyridine spacer
;
_journal_issue                   22
_journal_name_full               'Dalton Transactions'
_journal_page_first              2929
_journal_page_last               2936
_journal_paper_doi               10.1039/b719820e
_journal_year                    2008
_chemical_formula_sum            'C117 H102 Cl10 N2 P8 Pd Ru2'
_chemical_formula_weight         2446.81
_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                94.6910(10)
_cell_angle_beta                 102.7270(10)
_cell_angle_gamma                106.0610(10)
_cell_formula_units_Z            1
_cell_length_a                   10.7826(6)
_cell_length_b                   11.4946(6)
_cell_length_c                   24.0888(13)
_cell_measurement_reflns_used    1818
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      21.90
_cell_measurement_theta_min      2.30
_cell_volume                     2765.9(3)
_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      223(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0539
_diffrn_reflns_av_sigmaI/netI    0.1249
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            19911
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.837
_exptl_absorpt_correction_T_max  0.9673
_exptl_absorpt_correction_T_min  0.8505
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Thin Plate'
_exptl_crystal_F_000             1242
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.890
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         12637
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.1251
_refine_ls_R_factor_gt           0.0669
_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)+(0.0543P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1425
_reflns_number_gt                7559
_reflns_number_total             12637
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b719820e.txt
_cod_data_source_block           5197
_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_sg_symbol_H-M      P-1
_cod_database_code               7003806
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
Pd1 Pd 1.0000 0.0000 0.5000 0.03113(17) Uani 1 2 d S . .
Ru1 Ru 0.28360(4) 0.11218(4) 0.228692(17) 0.01995(11) Uani 1 1 d . . .
Cl1 Cl 1.03475(16) -0.13575(15) 0.43365(6) 0.0458(4) Uani 1 1 d . . .
Cl2 Cl 0.06181(12) 0.10888(12) 0.17010(5) 0.0287(3) Uani 1 1 d . . .
P1 P 0.39473(13) 0.08219(12) 0.15725(6) 0.0227(3) Uani 1 1 d . . .
P2 P 0.40546(13) 0.30164(12) 0.21153(6) 0.0241(3) Uani 1 1 d . . .
P3 P 0.18085(13) 0.14594(12) 0.30357(6) 0.0238(3) Uani 1 1 d . . .
P4 P 0.16623(13) -0.07793(12) 0.24792(6) 0.0238(3) Uani 1 1 d . . .
N1 N 0.8594(4) 0.0339(4) 0.43723(19) 0.0320(11) Uani 1 1 d . . .
C1 C 0.4518(5) 0.1041(5) 0.2793(2) 0.0234(12) Uani 1 1 d . . .
C2 C 0.5522(5) 0.0941(5) 0.3098(2) 0.0300(13) Uani 1 1 d . . .
C3 C 0.8420(6) 0.1446(5) 0.4364(2) 0.0345(14) Uani 1 1 d . . .
H3 H 0.8979 0.2092 0.4654 0.041 Uiso 1 1 calc R . .
C4 C 0.7448(6) 0.1676(5) 0.3947(2) 0.0381(15) Uani 1 1 d . . .
H4 H 0.7379 0.2474 0.3953 0.046 Uiso 1 1 calc R . .
C5 C 0.6575(5) 0.0750(5) 0.3521(2) 0.0270(12) Uani 1 1 d . . .
C6 C 0.6777(6) -0.0394(5) 0.3531(3) 0.0419(16) Uani 1 1 d . . .
H6 H 0.6236 -0.1054 0.3245 0.050 Uiso 1 1 calc R . .
C7 C 0.7767(6) -0.0564(5) 0.3958(3) 0.0440(17) Uani 1 1 d . . .
H7 H 0.7866 -0.1352 0.3959 0.053 Uiso 1 1 calc R . .
C8 C 0.5152(5) 0.2358(4) 0.1793(2) 0.0273(12) Uani 1 1 d . . .
H8A H 0.5378 0.2744 0.1466 0.033 Uiso 1 1 calc R . .
H8B H 0.5965 0.2369 0.2075 0.033 Uiso 1 1 calc R . .
C9 C 0.0707(5) -0.0131(5) 0.2903(2) 0.0264(12) Uani 1 1 d . . .
H9A H -0.0198 -0.0215 0.2678 0.032 Uiso 1 1 calc R . .
H9B H 0.0673 -0.0479 0.3259 0.032 Uiso 1 1 calc R . .
C1A C 0.3341(5) 0.0818(5) 0.0799(2) 0.0256(12) Uani 1 1 d . . .
C2A C 0.2025(5) 0.0794(5) 0.0571(2) 0.0323(13) Uani 1 1 d . . .
H2A H 0.1419 0.0690 0.0804 0.039 Uiso 1 1 calc R . .
C3A C 0.1624(6) 0.0923(5) 0.0000(2) 0.0384(15) Uani 1 1 d . . .
H3A H 0.0736 0.0898 -0.0158 0.046 Uiso 1 1 calc R . .
C4A C 0.2507(6) 0.1087(6) -0.0338(3) 0.0416(16) Uani 1 1 d . . .
H4A H 0.2227 0.1194 -0.0723 0.050 Uiso 1 1 calc R . .
C5A C 0.3810(7) 0.1096(6) -0.0118(3) 0.0457(17) Uani 1 1 d . . .
H5A H 0.4412 0.1196 -0.0352 0.055 Uiso 1 1 calc R . .
C6A C 0.4205(6) 0.0955(5) 0.0450(2) 0.0369(14) Uani 1 1 d . . .
H6A H 0.5085 0.0953 0.0602 0.044 Uiso 1 1 calc R . .
C1B C 0.4903(5) -0.0264(5) 0.1586(2) 0.0242(12) Uani 1 1 d . . .
C2B C 0.4216(6) -0.1493(5) 0.1420(3) 0.0359(14) Uani 1 1 d . . .
H2B H 0.3280 -0.1745 0.1296 0.043 Uiso 1 1 calc R . .
C3B C 0.4889(7) -0.2358(6) 0.1434(3) 0.0466(17) Uani 1 1 d . . .
H3B H 0.4409 -0.3193 0.1322 0.056 Uiso 1 1 calc R . .
C4B C 0.6269(7) -0.2000(6) 0.1613(3) 0.0452(17) Uani 1 1 d . . .
H4B H 0.6723 -0.2591 0.1628 0.054 Uiso 1 1 calc R . .
C5B C 0.6970(6) -0.0778(6) 0.1768(2) 0.0426(17) Uani 1 1 d . . .
H5B H 0.7907 -0.0529 0.1881 0.051 Uiso 1 1 calc R . .
C6B C 0.6289(5) 0.0095(5) 0.1759(2) 0.0345(14) Uani 1 1 d . . .
H6B H 0.6770 0.0930 0.1870 0.041 Uiso 1 1 calc R . .
C1C C 0.3293(5) 0.3814(5) 0.1580(2) 0.0306(13) Uani 1 1 d . . .
C2C C 0.3539(8) 0.3893(6) 0.1041(3) 0.056(2) Uani 1 1 d . . .
H2C H 0.4187 0.3571 0.0942 0.067 Uiso 1 1 calc R . .
C3C C 0.2833(10) 0.4445(6) 0.0647(3) 0.075(3) Uani 1 1 d . . .
H3C H 0.2982 0.4472 0.0278 0.090 Uiso 1 1 calc R . .
C4C C 0.1923(8) 0.4946(7) 0.0796(4) 0.073(3) Uani 1 1 d . . .
H4C H 0.1463 0.5333 0.0530 0.088 Uiso 1 1 calc R . .
C5C C 0.1670(7) 0.4898(7) 0.1321(4) 0.079(3) Uani 1 1 d . . .
H5C H 0.1040 0.5247 0.1419 0.094 Uiso 1 1 calc R . .
C6C C 0.2351(7) 0.4330(6) 0.1711(3) 0.0551(19) Uani 1 1 d . . .
H6C H 0.2172 0.4291 0.2075 0.066 Uiso 1 1 calc R . .
C1D C 0.5206(5) 0.4252(5) 0.2672(2) 0.0290(13) Uani 1 1 d . . .
C2D C 0.5992(6) 0.5307(5) 0.2541(3) 0.0361(14) Uani 1 1 d . . .
H2D H 0.5881 0.5437 0.2155 0.043 Uiso 1 1 calc R . .
C3D C 0.6942(6) 0.6179(5) 0.2970(3) 0.0447(17) Uani 1 1 d . . .
H3D H 0.7462 0.6900 0.2876 0.054 Uiso 1 1 calc R . .
C4D C 0.7120(6) 0.5988(6) 0.3530(3) 0.0502(19) Uani 1 1 d . . .
H4D H 0.7796 0.6558 0.3819 0.060 Uiso 1 1 calc R . .
C5D C 0.6314(7) 0.4965(6) 0.3673(3) 0.0495(18) Uani 1 1 d . . .
H5D H 0.6417 0.4860 0.4062 0.059 Uiso 1 1 calc R . .
C6D C 0.5347(6) 0.4083(5) 0.3248(2) 0.0372(15) Uani 1 1 d . . .
H6D H 0.4797 0.3384 0.3347 0.045 Uiso 1 1 calc R . .
C1E C 0.0768(5) 0.2472(5) 0.2984(2) 0.0253(12) Uani 1 1 d . . .
C2E C 0.1392(6) 0.3718(5) 0.3033(3) 0.0409(15) Uani 1 1 d . . .
H2E H 0.2321 0.4008 0.3083 0.049 Uiso 1 1 calc R . .
C3E C 0.0659(7) 0.4543(6) 0.3009(3) 0.0524(19) Uani 1 1 d . . .
H3E H 0.1091 0.5384 0.3035 0.063 Uiso 1 1 calc R . .
C4E C -0.0690(6) 0.4136(6) 0.2947(3) 0.0434(16) Uani 1 1 d . . .
H4E H -0.1184 0.4695 0.2936 0.052 Uiso 1 1 calc R . .
C5E C -0.1314(6) 0.2908(5) 0.2900(2) 0.0355(14) Uani 1 1 d . . .
H5E H -0.2242 0.2623 0.2851 0.043 Uiso 1 1 calc R . .
C6E C -0.0589(5) 0.2084(5) 0.2925(2) 0.0311(13) Uani 1 1 d . . .
H6E H -0.1029 0.1246 0.2902 0.037 Uiso 1 1 calc R . .
C1F C 0.2580(5) 0.1740(5) 0.3813(2) 0.0297(13) Uani 1 1 d . . .
C2F C 0.2028(7) 0.2219(7) 0.4201(3) 0.0533(19) Uani 1 1 d . . .
H2F H 0.1261 0.2454 0.4065 0.064 Uiso 1 1 calc R . .
C3F C 0.2565(8) 0.2365(7) 0.4784(3) 0.063(2) Uani 1 1 d . . .
H3F H 0.2170 0.2698 0.5043 0.075 Uiso 1 1 calc R . .
C4F C 0.3684(8) 0.2021(8) 0.4986(3) 0.069(2) Uani 1 1 d . . .
H4F H 0.4062 0.2122 0.5385 0.083 Uiso 1 1 calc R . .
C5F C 0.4242(8) 0.1537(8) 0.4612(3) 0.075(3) Uani 1 1 d . . .
H5F H 0.5004 0.1298 0.4753 0.090 Uiso 1 1 calc R . .
C6F C 0.3703(6) 0.1386(7) 0.4020(3) 0.0512(19) Uani 1 1 d . . .
H6F H 0.4098 0.1048 0.3763 0.061 Uiso 1 1 calc R . .
C1G C 0.0439(5) -0.2012(5) 0.1940(2) 0.0277(13) Uani 1 1 d . . .
C2G C -0.0387(5) -0.2991(5) 0.2116(2) 0.0328(13) Uani 1 1 d . . .
H2G H -0.0338 -0.3014 0.2509 0.039 Uiso 1 1 calc R . .
C3G C -0.1288(6) -0.3940(5) 0.1701(3) 0.0389(15) Uani 1 1 d . . .
H3G H -0.1867 -0.4593 0.1817 0.047 Uiso 1 1 calc R . .
C4G C -0.1345(6) -0.3940(5) 0.1128(3) 0.0440(17) Uani 1 1 d . . .
H4G H -0.1938 -0.4599 0.0853 0.053 Uiso 1 1 calc R . .
C5G C -0.0536(7) -0.2975(6) 0.0960(3) 0.0441(17) Uani 1 1 d . . .
H5G H -0.0587 -0.2972 0.0565 0.053 Uiso 1 1 calc R . .
C6G C 0.0366(6) -0.1994(5) 0.1353(2) 0.0339(14) Uani 1 1 d . . .
H6G H 0.0914 -0.1333 0.1229 0.041 Uiso 1 1 calc R . .
C1H C 0.2504(5) -0.1664(5) 0.2933(2) 0.0277(13) Uani 1 1 d . . .
C2H C 0.2569(7) -0.1643(6) 0.3505(3) 0.0478(17) Uani 1 1 d . . .
H2H H 0.2166 -0.1144 0.3683 0.057 Uiso 1 1 calc R . .
C3H C 0.3229(8) -0.2354(6) 0.3833(3) 0.058(2) Uani 1 1 d . . .
H3H H 0.3270 -0.2330 0.4228 0.070 Uiso 1 1 calc R . .
C4H C 0.3805(7) -0.3074(6) 0.3572(3) 0.057(2) Uani 1 1 d . . .
H4H H 0.4226 -0.3569 0.3785 0.069 Uiso 1 1 calc R . .
C5H C 0.3780(6) -0.3089(6) 0.3000(3) 0.0508(19) Uani 1 1 d . . .
H5H H 0.4205 -0.3572 0.2825 0.061 Uiso 1 1 calc R . .
C6H C 0.3132(6) -0.2394(5) 0.2684(3) 0.0382(15) Uani 1 1 d . . .
H6H H 0.3111 -0.2412 0.2291 0.046 Uiso 1 1 calc R . .
C2S C 0.8730(8) 0.2224(7) 0.0752(3) 0.063(2) Uani 1 1 d . . .
H2S1 H 0.8458 0.1335 0.0744 0.076 Uiso 1 1 calc R . .
H2S2 H 0.9705 0.2512 0.0831 0.076 Uiso 1 1 calc R . .
Cl1A Cl 0.8251(2) 0.2891(2) 0.12975(11) 0.0844(7) Uani 1 1 d . . .
Cl2A Cl 0.8058(3) 0.2542(3) 0.00856(10) 0.1230(11) Uani 1 1 d . . .
C3S C 0.0302(14) 0.530(3) 0.4471(8) 0.170(11) Uani 0.50 1 d PDU . .
H3S1 H 0.0237 0.6046 0.4314 0.204 Uiso 0.50 1 calc PR . .
H3S2 H -0.0058 0.4618 0.4150 0.204 Uiso 0.50 1 calc PR . .
Cl2S Cl -0.0705(11) 0.5030(8) 0.4969(5) 0.196(5) Uani 0.50 1 d PD . -1
Cl1S Cl 0.2015(15) 0.5457(10) 0.4766(4) 0.231(6) Uani 0.50 1 d PD . -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 '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
N1 Pd1 N1 179.999(1) 2_756 . ?
N1 Pd1 Cl1 89.94(13) 2_756 . ?
N1 Pd1 Cl1 90.06(13) . . ?
N1 Pd1 Cl1 90.06(13) 2_756 2_756 ?
N1 Pd1 Cl1 89.94(13) . 2_756 ?
Cl1 Pd1 Cl1 180.0 . 2_756 ?
C1 Ru1 P2 87.39(15) . . ?
C1 Ru1 P4 91.08(15) . . ?
P2 Ru1 P4 178.45(5) . . ?
C1 Ru1 P1 81.39(15) . . ?
P2 Ru1 P1 70.45(5) . . ?
P4 Ru1 P1 109.62(5) . . ?
C1 Ru1 P3 96.33(15) . . ?
P2 Ru1 P3 108.54(5) . . ?
P4 Ru1 P3 71.33(5) . . ?
P1 Ru1 P3 177.51(5) . . ?
C1 Ru1 Cl2 174.83(16) . . ?
P2 Ru1 Cl2 97.40(5) . . ?
P4 Ru1 Cl2 84.11(5) . . ?
P1 Ru1 Cl2 102.01(5) . . ?
P3 Ru1 Cl2 80.33(5) . . ?
C1B P1 C8 107.1(2) . . ?
C1B P1 C1A 102.4(2) . . ?
C8 P1 C1A 101.1(3) . . ?
C1B P1 Ru1 122.78(17) . . ?
C8 P1 Ru1 92.47(18) . . ?
C1A P1 Ru1 126.26(18) . . ?
C1C P2 C1D 103.8(2) . . ?
C1C P2 C8 106.7(3) . . ?
C1D P2 C8 104.1(2) . . ?
C1C P2 Ru1 120.70(18) . . ?
C1D P2 Ru1 124.9(2) . . ?
C8 P2 Ru1 93.12(17) . . ?
C1E P3 C1F 101.2(2) . . ?
C1E P3 C9 108.1(2) . . ?
C1F P3 C9 103.9(2) . . ?
C1E P3 Ru1 120.51(18) . . ?
C1F P3 Ru1 126.80(19) . . ?
C9 P3 Ru1 93.53(17) . . ?
C1H P4 C1G 100.3(2) . . ?
C1H P4 C9 107.1(2) . . ?
C1G P4 C9 106.4(2) . . ?
C1H P4 Ru1 121.39(18) . . ?
C1G P4 Ru1 125.1(2) . . ?
C9 P4 Ru1 94.36(17) . . ?
C3 N1 C7 117.1(4) . . ?
C3 N1 Pd1 122.2(3) . . ?
C7 N1 Pd1 120.6(4) . . ?
C2 C1 Ru1 177.4(5) . . ?
C1 C2 C5 170.6(6) . . ?
N1 C3 C4 122.6(5) . . ?
C3 C4 C5 121.0(5) . . ?
C4 C5 C6 115.7(5) . . ?
C4 C5 C2 122.7(5) . . ?
C6 C5 C2 121.6(5) . . ?
C7 C6 C5 120.4(5) . . ?
N1 C7 C6 123.1(5) . . ?
P1 C8 P2 94.9(3) . . ?
P3 C9 P4 96.3(3) . . ?
C6A C1A C2A 119.5(5) . . ?
C6A C1A P1 120.3(4) . . ?
C2A C1A P1 119.9(4) . . ?
C3A C2A C1A 119.2(6) . . ?
C4A C3A C2A 120.5(6) . . ?
C3A C4A C5A 120.7(6) . . ?
C6A C5A C4A 118.7(6) . . ?
C1A C6A C5A 121.4(5) . . ?
C2B C1B C6B 118.9(5) . . ?
C2B C1B P1 118.3(4) . . ?
C6B C1B P1 122.8(4) . . ?
C1B C2B C3B 120.7(5) . . ?
C2B C3B C4B 120.3(6) . . ?
C5B C4B C3B 119.7(5) . . ?
C4B C5B C6B 119.9(6) . . ?
C1B C6B C5B 120.4(5) . . ?
C2C C1C C6C 117.7(6) . . ?
C2C C1C P2 124.7(5) . . ?
C6C C1C P2 117.5(5) . . ?
C1C C2C C3C 120.3(7) . . ?
C4C C3C C2C 119.9(8) . . ?
C5C C4C C3C 121.2(7) . . ?
C4C C5C C6C 119.1(8) . . ?
C5C C6C C1C 121.8(7) . . ?
C2D C1D C6D 119.3(5) . . ?
C2D C1D P2 122.1(4) . . ?
C6D C1D P2 118.4(5) . . ?
C1D C2D C3D 120.9(6) . . ?
C4D C3D C2D 119.8(7) . . ?
C3D C4D C5D 120.3(6) . . ?
C4D C5D C6D 120.6(6) . . ?
C5D C6D C1D 119.0(6) . . ?
C6E C1E C2E 118.0(5) . . ?
C6E C1E P3 124.2(4) . . ?
C2E C1E P3 117.8(4) . . ?
C1E C2E C3E 120.7(6) . . ?
C4E C3E C2E 120.3(6) . . ?
C5E C4E C3E 119.4(5) . . ?
C4E C5E C6E 120.5(5) . . ?
C1E C6E C5E 121.1(5) . . ?
C2F C1F C6F 118.5(5) . . ?
C2F C1F P3 121.8(4) . . ?
C6F C1F P3 119.6(4) . . ?
C1F C2F C3F 121.8(6) . . ?
C2F C3F C4F 119.5(7) . . ?
C5F C4F C3F 119.9(6) . . ?
C4F C5F C6F 120.9(7) . . ?
C1F C6F C5F 119.5(6) . . ?
C2G C1G C6G 119.9(5) . . ?
C2G C1G P4 119.7(4) . . ?
C6G C1G P4 120.3(5) . . ?
C1G C2G C3G 119.1(6) . . ?
C4G C3G C2G 121.2(6) . . ?
C5G C4G C3G 119.2(6) . . ?
C4G C5G C6G 122.0(6) . . ?
C5G C6G C1G 118.5(6) . . ?
C2H C1H C6H 118.0(5) . . ?
C2H C1H P4 123.9(4) . . ?
C6H C1H P4 118.2(4) . . ?
C1H C2H C3H 121.3(6) . . ?
C4H C3H C2H 119.0(7) . . ?
C3H C4H C5H 120.8(6) . . ?
C4H C5H C6H 119.6(6) . . ?
C5H C6H C1H 121.3(6) . . ?
Cl1A C2S Cl2A 113.2(4) . . ?
Cl2S C3S Cl2S 55.0(11) 2_566 . ?
Cl2S C3S Cl1S 60.7(8) 2_566 . ?
Cl2S C3S Cl1S 114.5(13) . . ?
C3S Cl2S C3S 125.0(11) 2_566 . ?
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 N1 2.037(4) 2_756 ?
Pd1 N1 2.037(4) . ?
Pd1 Cl1 2.3042(15) . ?
Pd1 Cl1 2.3043(15) 2_756 ?
Ru1 C1 1.981(5) . ?
Ru1 P2 2.3331(15) . ?
Ru1 P4 2.3421(15) . ?
Ru1 P1 2.3572(15) . ?
Ru1 P3 2.3738(15) . ?
Ru1 Cl2 2.4833(12) . ?
P1 C1B 1.824(5) . ?
P1 C8 1.833(5) . ?
P1 C1A 1.834(5) . ?
P2 C1C 1.823(5) . ?
P2 C1D 1.827(5) . ?
P2 C8 1.838(5) . ?
P3 C1E 1.820(5) . ?
P3 C1F 1.835(5) . ?
P3 C9 1.841(5) . ?
P4 C1H 1.819(5) . ?
P4 C1G 1.828(5) . ?
P4 C9 1.849(5) . ?
N1 C3 1.338(6) . ?
N1 C7 1.339(7) . ?
C1 C2 1.208(7) . ?
C2 C5 1.427(7) . ?
C3 C4 1.382(7) . ?
C4 C5 1.383(7) . ?
C5 C6 1.393(7) . ?
C6 C7 1.379(7) . ?
C1A C6A 1.372(8) . ?
C1A C2A 1.395(7) . ?
C2A C3A 1.381(7) . ?
C3A C4A 1.369(8) . ?
C4A C5A 1.384(8) . ?
C5A C6A 1.378(8) . ?
C1B C2B 1.379(7) . ?
C1B C6B 1.390(7) . ?
C2B C3B 1.382(7) . ?
C3B C4B 1.384(9) . ?
C4B C5B 1.373(8) . ?
C5B C6B 1.396(7) . ?
C1C C2C 1.385(9) . ?
C1C C6C 1.388(8) . ?
C2C C3C 1.390(9) . ?
C3C C4C 1.363(11) . ?
C4C C5C 1.353(12) . ?
C5C C6C 1.382(9) . ?
C1D C2D 1.379(8) . ?
C1D C6D 1.397(8) . ?
C2D C3D 1.384(8) . ?
C3D C4D 1.366(9) . ?
C4D C5D 1.374(10) . ?
C5D C6D 1.393(8) . ?
C1E C6E 1.377(7) . ?
C1E C2E 1.387(8) . ?
C2E C3E 1.390(8) . ?
C3E C4E 1.369(9) . ?
C4E C5E 1.368(8) . ?
C5E C6E 1.382(7) . ?
C1F C2F 1.369(8) . ?
C1F C6F 1.386(7) . ?
C2F C3F 1.373(8) . ?
C3F C4F 1.373(9) . ?
C4F C5F 1.352(10) . ?
C5F C6F 1.392(8) . ?
C1G C2G 1.388(8) . ?
C1G C6G 1.401(8) . ?
C2G C3G 1.392(7) . ?
C3G C4G 1.370(9) . ?
C4G C5G 1.360(9) . ?
C5G C6G 1.388(8) . ?
C1H C2H 1.361(8) . ?
C1H C6H 1.391(7) . ?
C2H C3H 1.407(8) . ?
C3H C4H 1.356(9) . ?
C4H C5H 1.370(10) . ?
C5H C6H 1.371(8) . ?
C2S Cl1A 1.714(7) . ?
C2S Cl2A 1.722(7) . ?
C3S Cl2S 1.44(3) 2_566 ?
C3S Cl2S 1.779(3) . ?
C3S Cl1S 1.779(3) . ?
Cl2S C3S 1.44(3) 2_566 ?
