#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:00:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179166 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/27/4312716.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_4312716
loop_
_publ_author_name
'Claus Becker'
'Iris Kieltsch'
'Diego Broggini'
'Antonio Mezzetti'
_publ_section_title
;
 Bridging Fluorides and Hard/Soft Mismatch in d6 and d8 Complexes: The
 Case of [Tl(μ-F)3Ru(PPh3)3]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8417
_journal_page_last               8429
_journal_paper_doi               10.1021/ic034888e
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C78 H74 Cl5 F2 P4 Ru2 Tl'
_chemical_formula_weight         1757.01
_chemical_name_common            '[Ru2F2Cl3(PPh3)4Tl].CH2Cl2.C5H12'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 110.228(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.714(3)
_cell_length_b                   14.478(2)
_cell_length_c                   26.171(4)
_cell_measurement_reflns_used    930
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      52.009
_cell_measurement_theta_min      4.326
_cell_volume                     7009.0(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.901
_diffrn_measured_fraction_theta_max 0.901
_diffrn_measurement_device_type  'SMART Platform'
_diffrn_measurement_method       'w/ scan'
_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  0.1121
_diffrn_reflns_av_sigmaI/netI    0.2277
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            42506
_diffrn_reflns_theta_full        28.89
_diffrn_reflns_theta_max         28.89
_diffrn_reflns_theta_min         1.10
_exptl_absorpt_coefficient_mu    3.051
_exptl_absorpt_correction_T_max  0.9140
_exptl_absorpt_correction_T_min  0.4064
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3496
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.267
_refine_diff_density_min         -0.843
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.860
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     816
_refine_ls_number_reflns         16634
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.861
_refine_ls_R_factor_all          0.2178
_refine_ls_R_factor_gt           0.0633
_refine_ls_shift/su_max          0.187
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0579P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1115
_refine_ls_wR_factor_ref         0.1512
_reflns_number_gt                6103
_reflns_number_total             16634
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034888esi20030728_100008_3.cif
_cod_data_source_block           '[Ru2F2Cl3(PPh3)4Tl]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        7009.2(18)
_cod_database_code               4312716
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ru1 Ru 0.32839(4) 0.41012(4) 0.02039(2) 0.03580(18) Uani 1 1 d . . .
Ru2 Ru 0.26217(4) 0.29862(4) -0.08902(2) 0.03783(19) Uani 1 1 d . . .
Tl1 Tl 0.39715(3) 0.47285(3) -0.090725(18) 0.0966(2) Uani 1 1 d . . .
F1 F 0.3708(2) 0.3356(3) -0.03409(15) 0.0454(12) Uani 1 1 d . . .
F2 F 0.2647(2) 0.4418(3) -0.06328(15) 0.0474(12) Uani 1 1 d . . .
Cl3 Cl 0.25101(12) 0.28028(13) -0.00285(8) 0.0497(6) Uani 1 1 d . . .
Cl4 Cl 0.40878(13) 0.53372(15) 0.02059(9) 0.0658(7) Uani 1 1 d . . .
Cl5 Cl 0.29423(15) 0.35090(18) -0.16256(10) 0.0803(8) Uani 1 1 d . . .
P1 P 0.25625(12) 0.49394(14) 0.05360(8) 0.0419(6) Uani 1 1 d . . .
P2 P 0.40534(12) 0.34830(14) 0.09854(8) 0.0391(6) Uani 1 1 d . . .
P3 P 0.14105(12) 0.27937(14) -0.13180(8) 0.0446(6) Uani 1 1 d . . .
P4 P 0.29610(12) 0.15415(14) -0.10082(8) 0.0426(6) Uani 1 1 d . . .
C1 C 0.2873(5) 0.5509(6) 0.1203(3) 0.046(2) Uani 1 1 d . . .
C2 C 0.3261(6) 0.6331(8) 0.1252(4) 0.086(3) Uani 1 1 d . . .
H2A H 0.3357 0.6553 0.0951 0.103 Uiso 1 1 calc R . .
C3 C 0.3505(7) 0.6824(8) 0.1731(5) 0.104(4) Uani 1 1 d . . .
H3A H 0.3749 0.7379 0.1745 0.125 Uiso 1 1 calc R . .
C4 C 0.3388(7) 0.6497(9) 0.2189(4) 0.101(4) Uani 1 1 d . . .
H4A H 0.3567 0.6813 0.2518 0.121 Uiso 1 1 calc R . .
C5 C 0.3000(6) 0.5692(8) 0.2148(4) 0.083(3) Uani 1 1 d . . .
H5A H 0.2912 0.5466 0.2452 0.099 Uiso 1 1 calc R . .
C6 C 0.2739(5) 0.5215(6) 0.1658(3) 0.060(3) Uani 1 1 d . . .
H6A H 0.2467 0.4683 0.1637 0.072 Uiso 1 1 calc R . .
C7 C 0.2173(5) 0.5982(5) 0.0122(3) 0.051(2) Uani 1 1 d . . .
C8 C 0.2403(5) 0.6307(6) -0.0277(3) 0.055(3) Uani 1 1 d . . .
H8A H 0.2735 0.5965 -0.0379 0.066 Uiso 1 1 calc R . .
C9 C 0.2155(6) 0.7135(7) -0.0535(4) 0.075(3) Uani 1 1 d . . .
H9A H 0.2315 0.7344 -0.0810 0.090 Uiso 1 1 calc R . .
C10 C 0.1672(7) 0.7644(7) -0.0383(4) 0.088(4) Uani 1 1 d . . .
H10A H 0.1511 0.8206 -0.0554 0.105 Uiso 1 1 calc R . .
C11 C 0.1426(6) 0.7349(7) 0.0008(5) 0.078(3) Uani 1 1 d . . .
H11A H 0.1090 0.7697 0.0102 0.094 Uiso 1 1 calc R . .
C12 C 0.1682(5) 0.6511(6) 0.0274(4) 0.065(3) Uani 1 1 d . . .
H12A H 0.1524 0.6308 0.0551 0.078 Uiso 1 1 calc R . .
C13 C 0.1770(5) 0.4288(5) 0.0543(3) 0.042(2) Uani 1 1 d . . .
C14 C 0.1072(5) 0.4433(6) 0.0176(3) 0.049(2) Uani 1 1 d . . .
H14A H 0.0986 0.4921 -0.0069 0.059 Uiso 1 1 calc R . .
C15 C 0.0511(5) 0.3873(7) 0.0170(4) 0.054(2) Uani 1 1 d . . .
H15A H 0.0054 0.3981 -0.0084 0.065 Uiso 1 1 calc R . .
C16 C 0.0609(5) 0.3158(7) 0.0529(4) 0.064(3) Uani 1 1 d . . .
H16A H 0.0217 0.2802 0.0531 0.077 Uiso 1 1 calc R . .
C17 C 0.1290(6) 0.2968(6) 0.0888(4) 0.061(3) Uani 1 1 d . . .
H17A H 0.1365 0.2468 0.1125 0.073 Uiso 1 1 calc R . .
C18 C 0.1859(5) 0.3523(6) 0.0895(3) 0.053(2) Uani 1 1 d . . .
H18A H 0.2318 0.3391 0.1139 0.063 Uiso 1 1 calc R . .
C19 C 0.4706(4) 0.4161(6) 0.1536(3) 0.049(2) Uani 1 1 d . . .
C20 C 0.4705(5) 0.5097(7) 0.1536(4) 0.070(3) Uani 1 1 d . . .
H20A H 0.4368 0.5415 0.1252 0.085 Uiso 1 1 calc R . .
C21 C 0.5208(6) 0.5585(8) 0.1960(5) 0.093(4) Uani 1 1 d . . .
H21A H 0.5200 0.6227 0.1966 0.111 Uiso 1 1 calc R . .
C22 C 0.5706(7) 0.5113(10) 0.2360(5) 0.105(5) Uani 1 1 d . . .
H22A H 0.6049 0.5439 0.2637 0.126 Uiso 1 1 calc R . .
C23 C 0.5722(6) 0.4188(10) 0.2371(4) 0.093(4) Uani 1 1 d . . .
H23A H 0.6061 0.3873 0.2656 0.112 Uiso 1 1 calc R . .
C24 C 0.5224(5) 0.3715(7) 0.1950(4) 0.071(3) Uani 1 1 d . . .
H24A H 0.5241 0.3073 0.1947 0.085 Uiso 1 1 calc R . .
C25 C 0.4708(4) 0.2728(5) 0.0844(3) 0.042(2) Uani 1 1 d . . .
C26 C 0.5091(5) 0.3076(6) 0.0525(3) 0.051(2) Uani 1 1 d . . .
H26A H 0.4952 0.3640 0.0351 0.061 Uiso 1 1 calc R . .
C27 C 0.5663(5) 0.2619(7) 0.0459(4) 0.062(3) Uani 1 1 d . . .
H27A H 0.5913 0.2880 0.0252 0.075 Uiso 1 1 calc R . .
C28 C 0.5865(6) 0.1770(8) 0.0700(5) 0.086(4) Uani 1 1 d . . .
H28A H 0.6250 0.1452 0.0655 0.104 Uiso 1 1 calc R . .
C29 C 0.5502(7) 0.1402(7) 0.1002(5) 0.094(4) Uani 1 1 d . . .
H29A H 0.5637 0.0825 0.1161 0.112 Uiso 1 1 calc R . .
C30 C 0.4921(6) 0.1876(6) 0.1082(4) 0.075(3) Uani 1 1 d . . .
H30A H 0.4681 0.1614 0.1295 0.090 Uiso 1 1 calc R . .
C31 C 0.3655(4) 0.2765(5) 0.1383(3) 0.042(2) Uani 1 1 d . . .
C32 C 0.3634(5) 0.3039(6) 0.1885(3) 0.052(2) Uani 1 1 d . . .
H32A H 0.3872 0.3576 0.2043 0.063 Uiso 1 1 calc R . .
C33 C 0.3272(5) 0.2538(7) 0.2152(4) 0.063(3) Uani 1 1 d . . .
H33A H 0.3260 0.2741 0.2486 0.076 Uiso 1 1 calc R . .
C34 C 0.2924(5) 0.1728(7) 0.1923(4) 0.066(3) Uani 1 1 d . . .
H34A H 0.2679 0.1385 0.2105 0.079 Uiso 1 1 calc R . .
C35 C 0.2939(5) 0.1435(6) 0.1434(4) 0.058(3) Uani 1 1 d . . .
H35A H 0.2705 0.0892 0.1281 0.069 Uiso 1 1 calc R . .
C36 C 0.3303(5) 0.1944(6) 0.1167(3) 0.049(2) Uani 1 1 d . . .
H36A H 0.3314 0.1736 0.0834 0.058 Uiso 1 1 calc R . .
C37 C 0.0947(5) 0.2757(6) -0.2066(4) 0.055(3) Uani 1 1 d . . .
C38 C 0.1249(6) 0.3213(6) -0.2390(4) 0.071(3) Uani 1 1 d . . .
H38A H 0.1705 0.3475 -0.2233 0.085 Uiso 1 1 calc R . .
C39 C 0.0895(9) 0.3298(8) -0.2952(5) 0.106(5) Uani 1 1 d . . .
H39A H 0.1115 0.3598 -0.3168 0.127 Uiso 1 1 calc R . .
C40 C 0.0223(10) 0.2930(9) -0.3175(6) 0.117(6) Uani 1 1 d . . .
H40A H -0.0020 0.2976 -0.3549 0.141 Uiso 1 1 calc R . .
C41 C -0.0092(7) 0.2507(10) -0.2866(5) 0.107(5) Uani 1 1 d . . .
H41A H -0.0557 0.2273 -0.3026 0.128 Uiso 1 1 calc R . .
C42 C 0.0262(6) 0.2405(7) -0.2307(4) 0.074(3) Uani 1 1 d . . .
H42A H 0.0035 0.2100 -0.2097 0.089 Uiso 1 1 calc R . .
C43 C 0.1023(5) 0.1809(6) -0.1077(4) 0.054(2) Uani 1 1 d . . .
C44 C 0.0855(5) 0.0989(7) -0.1348(4) 0.072(3) Uani 1 1 d . . .
H44A H 0.0897 0.0932 -0.1689 0.087 Uiso 1 1 calc R . .
C45 C 0.0619(6) 0.0234(8) -0.1121(6) 0.101(4) Uani 1 1 d . . .
H45A H 0.0498 -0.0318 -0.1313 0.121 Uiso 1 1 calc R . .
C46 C 0.0568(7) 0.0315(9) -0.0608(7) 0.111(5) Uani 1 1 d . . .
H46A H 0.0431 -0.0195 -0.0451 0.133 Uiso 1 1 calc R . .
C47 C 0.0714(6) 0.1119(8) -0.0335(5) 0.088(4) Uani 1 1 d . . .
H47A H 0.0661 0.1174 0.0004 0.106 Uiso 1 1 calc R . .
C48 C 0.0946(5) 0.1869(7) -0.0568(4) 0.068(3) Uani 1 1 d . . .
H48A H 0.1052 0.2425 -0.0378 0.081 Uiso 1 1 calc R . .
C49 C 0.0859(6) 0.3780(6) -0.1225(3) 0.055(3) Uani 1 1 d . . .
C50 C 0.1127(6) 0.4656(7) -0.1234(4) 0.086(4) Uani 1 1 d . . .
H50A H 0.1595 0.4743 -0.1232 0.103 Uiso 1 1 calc R . .
C51 C 0.0684(8) 0.5408(8) -0.1247(4) 0.104(5) Uani 1 1 d . . .
H51A H 0.0872 0.5998 -0.1244 0.125 Uiso 1 1 calc R . .
C52 C -0.0009(9) 0.5326(11) -0.1263(5) 0.116(6) Uani 1 1 d . . .
H52A H -0.0299 0.5842 -0.1285 0.139 Uiso 1 1 calc R . .
C53 C -0.0261(7) 0.4454(11) -0.1243(4) 0.100(5) Uani 1 1 d . . .
H53A H -0.0727 0.4380 -0.1238 0.120 Uiso 1 1 calc R . .
C54 C 0.0154(6) 0.3670(8) -0.1232(3) 0.075(3) Uani 1 1 d . . .
H54A H -0.0036 0.3083 -0.1230 0.090 Uiso 1 1 calc R . .
C55 C 0.2384(4) 0.0778(6) -0.1536(3) 0.044(2) Uani 1 1 d . . .
C56 C 0.2060(5) 0.1140(6) -0.2061(4) 0.064(3) Uani 1 1 d . . .
H56A H 0.2162 0.1744 -0.2132 0.077 Uiso 1 1 calc R . .
C57 C 0.1595(6) 0.0621(8) -0.2475(4) 0.077(3) Uani 1 1 d . . .
H57A H 0.1368 0.0886 -0.2815 0.093 Uiso 1 1 calc R . .
C58 C 0.1465(6) -0.0267(8) -0.2391(4) 0.089(4) Uani 1 1 d . . .
H58A H 0.1154 -0.0614 -0.2675 0.107 Uiso 1 1 calc R . .
C59 C 0.1784(6) -0.0661(7) -0.1895(5) 0.088(4) Uani 1 1 d . . .
H59A H 0.1690 -0.1277 -0.1842 0.106 Uiso 1 1 calc R . .
C60 C 0.2255(5) -0.0149(6) -0.1460(4) 0.065(3) Uani 1 1 d . . .
H60A H 0.2480 -0.0427 -0.1124 0.078 Uiso 1 1 calc R . .
C61 C 0.3775(5) 0.1506(5) -0.1189(3) 0.048(2) Uani 1 1 d . . .
C62 C 0.4353(5) 0.2093(6) -0.0936(4) 0.064(3) Uani 1 1 d . . .
H62A H 0.4327 0.2480 -0.0660 0.077 Uiso 1 1 calc R . .
C63 C 0.4971(5) 0.2122(7) -0.1082(5) 0.075(3) Uani 1 1 d . . .
H63A H 0.5348 0.2525 -0.0909 0.090 Uiso 1 1 calc R . .
C64 C 0.5008(6) 0.1538(8) -0.1489(4) 0.070(3) Uani 1 1 d . . .
H64A H 0.5413 0.1549 -0.1595 0.085 Uiso 1 1 calc R . .
C65 C 0.4458(6) 0.0952(8) -0.1734(4) 0.071(3) Uani 1 1 d . . .
H65A H 0.4487 0.0563 -0.2009 0.086 Uiso 1 1 calc R . .
C66 C 0.3859(5) 0.0923(6) -0.1584(3) 0.057(2) Uani 1 1 d . . .
H66A H 0.3495 0.0500 -0.1753 0.069 Uiso 1 1 calc R . .
C67 C 0.3195(5) 0.0807(5) -0.0397(3) 0.044(2) Uani 1 1 d . . .
C68 C 0.2642(5) 0.0543(6) -0.0228(4) 0.059(3) Uani 1 1 d . . .
H68A H 0.2178 0.0765 -0.0411 0.070 Uiso 1 1 calc R . .
C69 C 0.2759(6) -0.0059(6) 0.0218(4) 0.065(3) Uani 1 1 d . . .
H69A H 0.2380 -0.0235 0.0332 0.078 Uiso 1 1 calc R . .
C70 C 0.3450(7) -0.0377(7) 0.0480(4) 0.076(3) Uani 1 1 d . . .
H70A H 0.3542 -0.0780 0.0772 0.091 Uiso 1 1 calc R . .
C71 C 0.4002(6) -0.0101(7) 0.0311(4) 0.084(3) Uani 1 1 d . . .
H71A H 0.4468 -0.0317 0.0491 0.101 Uiso 1 1 calc R . .
C72 C 0.3876(5) 0.0495(6) -0.0125(4) 0.064(3) Uani 1 1 d . . .
H72A H 0.4258 0.0682 -0.0233 0.077 Uiso 1 1 calc R . .
C1A C -0.2408(15) 0.071(2) -0.2867(14) 0.300(17) Uiso 0.828(8) 1 d PD . .
Cl1A Cl -0.2769(6) 0.1654(7) -0.3225(4) 0.323(6) Uani 0.828(8) 1 d PD . .
Cl2A Cl -0.1581(7) 0.0954(9) -0.2603(6) 0.447(10) Uani 0.828(8) 1 d PD . .
C1B C -0.2346(9) 0.1008(10) -0.1489(7) 0.184(8) Uani 1 1 d D . .
C2B C -0.1519(9) 0.0675(14) -0.1193(9) 0.261(13) Uani 1 1 d D . .
C3B C -0.1082(7) 0.1566(14) -0.1226(7) 0.181(8) Uani 1 1 d D . .
C4B C -0.1699(11) 0.2167(11) -0.1532(6) 0.187(9) Uani 1 1 d D . .
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'
Tl Tl -2.8358 9.6688 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
F2 Ru1 F1 70.22(15) . . ?
F2 Ru1 P1 93.05(13) . . ?
F1 Ru1 P1 162.83(12) . . ?
F2 Ru1 P2 165.91(12) . . ?
F1 Ru1 P2 96.11(12) . . ?
P1 Ru1 P2 100.31(8) . . ?
F2 Ru1 Cl3 79.10(12) . . ?
F1 Ru1 Cl3 78.29(12) . . ?
P1 Ru1 Cl3 95.17(8) . . ?
P2 Ru1 Cl3 95.11(7) . . ?
F2 Ru1 Cl4 89.77(13) . . ?
F1 Ru1 Cl4 88.14(13) . . ?
P1 Ru1 Cl4 95.86(8) . . ?
P2 Ru1 Cl4 93.28(8) . . ?
Cl3 Ru1 Cl4 164.72(8) . . ?
F2 Ru1 Ru2 43.58(10) . . ?
F1 Ru1 Ru2 44.10(11) . . ?
P1 Ru1 Ru2 120.45(6) . . ?
P2 Ru1 Ru2 123.74(6) . . ?
Cl3 Ru1 Ru2 48.00(5) . . ?
Cl4 Ru1 Ru2 116.87(6) . . ?
F2 Ru2 F1 69.63(15) . . ?
F2 Ru2 P4 162.31(13) . . ?
F1 Ru2 P4 92.73(12) . . ?
F2 Ru2 P3 100.17(13) . . ?
F1 Ru2 P3 166.55(12) . . ?
P4 Ru2 P3 97.45(8) . . ?
F2 Ru2 Cl5 87.87(13) . . ?
F1 Ru2 Cl5 88.84(13) . . ?
P4 Ru2 Cl5 90.58(9) . . ?
P3 Ru2 Cl5 99.79(9) . . ?
F2 Ru2 Cl3 79.08(12) . . ?
F1 Ru2 Cl3 78.09(12) . . ?
P4 Ru2 Cl3 99.05(8) . . ?
P3 Ru2 Cl3 91.60(8) . . ?
Cl5 Ru2 Cl3 164.04(8) . . ?
F2 Ru2 Ru1 43.30(10) . . ?
F1 Ru2 Ru1 43.57(11) . . ?
P4 Ru2 Ru1 123.49(6) . . ?
P3 Ru2 Ru1 122.98(6) . . ?
Cl5 Ru2 Ru1 115.80(7) . . ?
Cl3 Ru2 Ru1 48.24(5) . . ?
F1 Tl1 Cl5 70.76(10) . . ?
F1 Tl1 Cl4 68.67(9) . . ?
Cl5 Tl1 Cl4 128.70(8) . . ?
Ru1 F1 Ru2 92.33(16) . . ?
Ru1 F1 Tl1 100.96(15) . . ?
Ru2 F1 Tl1 98.80(14) . . ?
Ru1 F2 Ru2 93.13(14) . . ?
Ru2 Cl3 Ru1 83.75(7) . . ?
Ru1 Cl4 Tl1 87.11(7) . . ?
Ru2 Cl5 Tl1 89.49(8) . . ?
C13 P1 C1 103.2(4) . . ?
C13 P1 C7 103.9(4) . . ?
C1 P1 C7 97.1(4) . . ?
C13 P1 Ru1 112.3(3) . . ?
C1 P1 Ru1 124.1(3) . . ?
C7 P1 Ru1 113.6(3) . . ?
C25 P2 C31 104.4(4) . . ?
C25 P2 C19 97.2(4) . . ?
C31 P2 C19 100.3(4) . . ?
C25 P2 Ru1 110.7(3) . . ?
C31 P2 Ru1 116.9(3) . . ?
C19 P2 Ru1 124.2(3) . . ?
C43 P3 C37 103.3(4) . . ?
C43 P3 C49 102.7(5) . . ?
C37 P3 C49 93.6(4) . . ?
C43 P3 Ru2 114.7(3) . . ?
C37 P3 Ru2 125.0(3) . . ?
C49 P3 Ru2 113.7(3) . . ?
C61 P4 C55 99.2(4) . . ?
C61 P4 C67 103.4(4) . . ?
C55 P4 C67 102.2(4) . . ?
C61 P4 Ru2 113.1(3) . . ?
C55 P4 Ru2 121.9(3) . . ?
C67 P4 Ru2 114.5(3) . . ?
C6 C1 C2 116.5(8) . . ?
C6 C1 P1 125.8(7) . . ?
C2 C1 P1 117.6(7) . . ?
C3 C2 C1 122.3(10) . . ?
C4 C3 C2 120.1(11) . . ?
C5 C4 C3 118.5(10) . . ?
C4 C5 C6 120.7(10) . . ?
C1 C6 C5 121.8(9) . . ?
C8 C7 C12 118.5(8) . . ?
C8 C7 P1 123.2(7) . . ?
C12 C7 P1 117.8(7) . . ?
C7 C8 C9 121.4(9) . . ?
C10 C9 C8 119.5(10) . . ?
C11 C10 C9 121.4(10) . . ?
C10 C11 C12 119.3(10) . . ?
C7 C12 C11 120.0(10) . . ?
C14 C13 C18 115.9(8) . . ?
C14 C13 P1 124.0(7) . . ?
C18 C13 P1 119.7(7) . . ?
C15 C14 C13 121.4(8) . . ?
C14 C15 C16 121.3(9) . . ?
C15 C16 C17 119.6(9) . . ?
C18 C17 C16 119.4(9) . . ?
C17 C18 C13 122.2(8) . . ?
C20 C19 C24 118.3(8) . . ?
C20 C19 P2 122.0(7) . . ?
C24 C19 P2 119.7(7) . . ?
C19 C20 C21 120.3(10) . . ?
C22 C21 C20 119.1(11) . . ?
C23 C22 C21 122.0(11) . . ?
C22 C23 C24 118.3(11) . . ?
C19 C24 C23 122.0(10) . . ?
C30 C25 C26 116.6(8) . . ?
C30 C25 P2 124.7(7) . . ?
C26 C25 P2 118.2(6) . . ?
C27 C26 C25 122.7(9) . . ?
C26 C27 C28 119.6(10) . . ?
C29 C28 C27 119.7(11) . . ?
C28 C29 C30 121.2(10) . . ?
C25 C30 C29 120.3(10) . . ?
C32 C31 C36 117.0(8) . . ?
C32 C31 P2 122.4(6) . . ?
C36 C31 P2 120.4(6) . . ?
C33 C32 C31 121.7(9) . . ?
C32 C33 C34 119.7(9) . . ?
C35 C34 C33 120.1(9) . . ?
C34 C35 C36 119.7(9) . . ?
C35 C36 C31 121.7(8) . . ?
C38 C37 C42 117.7(9) . . ?
C38 C37 P3 118.7(8) . . ?
C42 C37 P3 122.9(8) . . ?
C37 C38 C39 122.0(11) . . ?
C40 C39 C38 118.4(14) . . ?
C41 C40 C39 120.7(14) . . ?
C40 C41 C42 121.3(14) . . ?
C37 C42 C41 119.8(11) . . ?
C44 C43 C48 117.6(9) . . ?
C44 C43 P3 123.7(8) . . ?
C48 C43 P3 118.5(7) . . ?
C43 C44 C45 121.2(11) . . ?
C46 C45 C44 119.4(12) . . ?
C47 C46 C45 121.0(13) . . ?
C46 C47 C48 118.8(12) . . ?
C47 C48 C43 121.9(10) . . ?
C54 C49 C50 119.5(9) . . ?
C54 C49 P3 122.3(8) . . ?
C50 C49 P3 117.4(9) . . ?
C51 C50 C49 118.7(12) . . ?
C52 C51 C50 123.4(14) . . ?
C51 C52 C53 117.1(13) . . ?
C52 C53 C54 122.4(14) . . ?
C49 C54 C53 118.8(11) . . ?
C60 C55 C56 117.2(8) . . ?
C60 C55 P4 124.9(6) . . ?
C56 C55 P4 118.0(7) . . ?
C57 C56 C55 121.4(9) . . ?
C58 C57 C56 120.5(9) . . ?
C57 C58 C59 120.5(10) . . ?
C58 C59 C60 120.7(10) . . ?
C55 C60 C59 119.7(9) . . ?
C66 C61 C62 115.9(9) . . ?
C66 C61 P4 123.6(7) . . ?
C62 C61 P4 120.5(7) . . ?
C63 C62 C61 122.4(9) . . ?
C64 C63 C62 118.5(10) . . ?
C65 C64 C63 120.1(10) . . ?
C64 C65 C66 120.9(10) . . ?
C65 C66 C61 122.2(9) . . ?
C72 C67 C68 119.5(8) . . ?
C72 C67 P4 123.4(8) . . ?
C68 C67 P4 117.1(7) . . ?
C67 C68 C69 121.4(9) . . ?
C70 C69 C68 118.0(10) . . ?
C71 C70 C69 120.2(9) . . ?
C70 C71 C72 120.8(10) . . ?
C67 C72 C71 120.1(10) . . ?
Cl2A C1A Cl1A 103.5(18) . . ?
C3B C2B C1B 102.1(14) . . ?
C4B C3B C2B 98.5(14) . . ?
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 F2 2.164(4) . ?
Ru1 F1 2.173(4) . ?
Ru1 P1 2.260(2) . ?
Ru1 P2 2.267(2) . ?
Ru1 Cl3 2.364(2) . ?
Ru1 Cl4 2.389(2) . ?
Ru1 Ru2 3.1503(9) . ?
Ru2 F2 2.175(4) . ?
Ru2 F1 2.194(4) . ?
Ru2 P4 2.250(2) . ?
Ru2 P3 2.277(2) . ?
Ru2 Cl5 2.349(3) . ?
Ru2 Cl3 2.355(2) . ?
Tl1 F1 2.635(4) . ?
Tl1 Cl5 2.851(3) . ?
Tl1 Cl4 2.976(2) . ?
P1 C13 1.830(9) . ?
P1 C1 1.833(8) . ?
P1 C7 1.861(8) . ?
P2 C25 1.824(8) . ?
P2 C31 1.829(8) . ?
P2 C19 1.848(8) . ?
P3 C43 1.829(9) . ?
P3 C37 1.853(9) . ?
P3 C49 1.861(9) . ?
P4 C61 1.824(9) . ?
P4 C55 1.827(8) . ?
P4 C67 1.842(8) . ?
C1 C6 1.373(11) . ?
C1 C2 1.396(12) . ?
C2 C3 1.376(12) . ?
C3 C4 1.382(14) . ?
C4 C5 1.377(14) . ?
C5 C6 1.390(11) . ?
C7 C8 1.360(11) . ?
C7 C12 1.396(12) . ?
C8 C9 1.379(11) . ?
C9 C10 1.366(14) . ?
C10 C11 1.347(14) . ?
C11 C12 1.402(12) . ?
C13 C14 1.395(11) . ?
C13 C18 1.413(10) . ?
C14 C15 1.365(11) . ?
C15 C16 1.367(11) . ?
C16 C17 1.374(12) . ?
C17 C18 1.376(11) . ?
C19 C20 1.355(11) . ?
C19 C24 1.366(11) . ?
C20 C21 1.398(12) . ?
C21 C22 1.348(15) . ?
C22 C23 1.339(14) . ?
C23 C24 1.379(12) . ?
C25 C30 1.380(11) . ?
C25 C26 1.398(11) . ?
C26 C27 1.368(11) . ?
C27 C28 1.377(13) . ?
C28 C29 1.344(14) . ?
C29 C30 1.411(13) . ?
C31 C32 1.386(10) . ?
C31 C36 1.392(10) . ?
C32 C33 1.366(11) . ?
C33 C34 1.386(12) . ?
C34 C35 1.358(12) . ?
C35 C36 1.376(11) . ?
C37 C38 1.364(12) . ?
C37 C42 1.376(12) . ?
C38 C39 1.398(13) . ?
C39 C40 1.359(17) . ?
C40 C41 1.328(17) . ?
C41 C42 1.394(14) . ?
C43 C44 1.364(11) . ?
C43 C48 1.394(12) . ?
C44 C45 1.398(14) . ?
C45 C46 1.384(16) . ?
C46 C47 1.345(14) . ?
C47 C48 1.399(13) . ?
C49 C54 1.393(13) . ?
C49 C50 1.377(12) . ?
C50 C51 1.389(13) . ?
C51 C52 1.357(18) . ?
C52 C53 1.365(17) . ?
C53 C54 1.394(13) . ?
C55 C60 1.393(11) . ?
C55 C56 1.401(10) . ?
C56 C57 1.375(12) . ?
C57 C58 1.344(13) . ?
C58 C59 1.357(13) . ?
C59 C60 1.406(12) . ?
C61 C66 1.387(11) . ?
C61 C62 1.393(11) . ?
C62 C63 1.397(12) . ?
C63 C64 1.382(13) . ?
C64 C65 1.353(13) . ?
C65 C66 1.368(12) . ?
C67 C72 1.363(11) . ?
C67 C68 1.364(11) . ?
C68 C69 1.411(11) . ?
C69 C70 1.375(13) . ?
C70 C71 1.370(13) . ?
C71 C72 1.382(12) . ?
C1A Cl2A 1.58(2) . ?
C1A Cl1A 1.68(2) . ?
C1B C2B 1.618(16) . ?
C2B C3B 1.571(16) . ?
C3B C4B 1.485(14) . ?
