#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:54:51 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178729 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/40/4084042.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_4084042
loop_
_publ_author_name
'Amoroso, Dino'
'Yap, Glenn P. A.'
'Fogg, Deryn E.'
_publ_section_title
;
 Deactivation of Ruthenium Metathesis Catalysts via Facile Formation of
 Face-Bridged Dimers
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3335
_journal_paper_doi               10.1021/om0110888
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C64 H119 Cl4 P4 Ru2'
_chemical_formula_weight         1356.41
_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                95.066(3)
_cell_angle_beta                 93.018(2)
_cell_angle_gamma                112.186(2)
_cell_formula_units_Z            2
_cell_length_a                   11.7069(16)
_cell_length_b                   14.1411(19)
_cell_length_c                   22.140(3)
_cell_measurement_reflns_used    'reflections from 60 data frames'
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      1.47
_cell_volume                     3365.9(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      203(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1233
_diffrn_reflns_av_sigmaI/netI    0.2917
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26256
_diffrn_reflns_theta_full        20.82
_diffrn_reflns_theta_max         20.82
_diffrn_reflns_theta_min         1.57
_diffrn_standards_decay_%        <1
_diffrn_standards_number         '50 standard frames at start and end'
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_T_max  0.928076
_exptl_absorpt_correction_T_min  0.598612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing,R., Acta Cryst. (1995) A51 33-38.'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1438
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.823
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         7055
_refine_ls_number_restraints     579
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0540
_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)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1126
_reflns_number_gt                4156
_reflns_number_total             7055
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0110888.cif
_cod_data_source_block           df025
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4084042
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
Ru1 Ru 0.22750(7) 0.41976(6) 0.27427(3) 0.0237(2) Uani 1 1 d U
Ru2 Ru 0.41544(7) 0.29272(6) 0.24075(3) 0.0226(2) Uani 1 1 d U
Cl1 Cl 0.6165(2) 0.34547(19) 0.29479(10) 0.0325(6) Uani 1 1 d U
Cl2 Cl 0.20866(19) 0.26807(18) 0.20368(9) 0.0268(6) Uani 1 1 d U
Cl3 Cl 0.3393(2) 0.34368(19) 0.33811(9) 0.0292(6) Uani 1 1 d U
Cl4 Cl 0.43789(19) 0.47616(18) 0.23209(9) 0.0260(6) Uani 1 1 d U
P1 P 0.2799(2) 0.5610(2) 0.34618(11) 0.0276(7) Uani 1 1 d U
P2 P 0.1306(2) 0.4846(2) 0.20425(10) 0.0270(7) Uani 1 1 d U
P3 P 0.3648(2) 0.1292(2) 0.26169(11) 0.0275(7) Uani 1 1 d U
P4 P 0.4977(2) 0.2757(2) 0.15145(10) 0.0244(6) Uani 1 1 d U
C1 C 0.0737(8) 0.3553(7) 0.3057(3) 0.028(2) Uani 1 1 d U
H1A H 0.0292 0.3959 0.3178 0.034 Uiso 1 1 calc R
C2 C 0.0202(8) 0.2458(7) 0.3123(4) 0.032(2) Uani 1 1 d U
H2A H 0.0612 0.2043 0.2969 0.038 Uiso 1 1 calc R
C3 C -0.0857(8) 0.2002(8) 0.3394(4) 0.034(3) Uani 1 1 d U
C4 C -0.1589(8) 0.2532(8) 0.3670(4) 0.056(3) Uani 1 1 d U
H4A H -0.1179 0.3266 0.3653 0.084 Uiso 1 1 calc R
H4B H -0.1670 0.2401 0.4092 0.084 Uiso 1 1 calc R
H4C H -0.2405 0.2283 0.3450 0.084 Uiso 1 1 calc R
C5 C -0.1314(10) 0.0871(9) 0.3419(5) 0.078(4) Uani 1 1 d U
H5A H -0.0750 0.0603 0.3232 0.118 Uiso 1 1 calc R
H5B H -0.2131 0.0541 0.3201 0.118 Uiso 1 1 calc R
H5C H -0.1357 0.0732 0.3840 0.118 Uiso 1 1 calc R
C6 C 0.1744(9) 0.4444(8) 0.4434(4) 0.056(3) Uani 1 1 d U
H6A H 0.1034 0.4651 0.4427 0.067 Uiso 1 1 calc R
H6B H 0.1546 0.3847 0.4128 0.067 Uiso 1 1 calc R
C7 C 0.1962(11) 0.4145(8) 0.5059(4) 0.073(4) Uani 1 1 d U
H7A H 0.2611 0.3866 0.5054 0.088 Uiso 1 1 calc R
H7B H 0.1201 0.3609 0.5161 0.088 Uiso 1 1 calc R
C8 C 0.2354(11) 0.5084(9) 0.5546(5) 0.070(4) Uani 1 1 d U
H8A H 0.1664 0.5310 0.5587 0.085 Uiso 1 1 calc R
H8B H 0.2557 0.4891 0.5940 0.085 Uiso 1 1 calc R
C9 C 0.3446(10) 0.5940(9) 0.5377(4) 0.066(3) Uani 1 1 d U
H9A H 0.4156 0.5733 0.5380 0.080 Uiso 1 1 calc R
H9B H 0.3652 0.6537 0.5684 0.080 Uiso 1 1 calc R
C10 C 0.3236(9) 0.6257(8) 0.4746(4) 0.049(3) Uani 1 1 d U
H10A H 0.2566 0.6514 0.4745 0.059 Uiso 1 1 calc R
H10B H 0.3991 0.6810 0.4652 0.059 Uiso 1 1 calc R
C11 C 0.2900(9) 0.5341(8) 0.4270(4) 0.037(2) Uani 1 1 d U
H11A H 0.3592 0.5103 0.4310 0.045 Uiso 1 1 calc R
C12 C 0.5415(8) 0.6312(8) 0.3665(4) 0.040(3) Uani 1 1 d U
H12A H 0.5247 0.5582 0.3559 0.049 Uiso 1 1 calc R
H12B H 0.5458 0.6446 0.4109 0.049 Uiso 1 1 calc R
C13 C 0.6659(9) 0.6970(9) 0.3442(6) 0.072(4) Uani 1 1 d U
H13A H 0.7328 0.6839 0.3657 0.087 Uiso 1 1 calc R
H13B H 0.6649 0.6768 0.3006 0.087 Uiso 1 1 calc R
C14 C 0.6905(10) 0.8072(9) 0.3544(6) 0.073(4) Uani 1 1 d U
H14A H 0.7672 0.8458 0.3368 0.088 Uiso 1 1 calc R
H14B H 0.7027 0.8292 0.3983 0.088 Uiso 1 1 calc R
C15 C 0.5868(9) 0.8321(8) 0.3266(5) 0.064(3) Uani 1 1 d U
H15A H 0.5822 0.8187 0.2822 0.077 Uiso 1 1 calc R
H15B H 0.6052 0.9055 0.3371 0.077 Uiso 1 1 calc R
C16 C 0.4616(9) 0.7699(8) 0.3480(5) 0.060(3) Uani 1 1 d U
H16A H 0.4610 0.7904 0.3914 0.071 Uiso 1 1 calc R
H16B H 0.3961 0.7834 0.3254 0.071 Uiso 1 1 calc R
C17 C 0.4373(8) 0.6564(7) 0.3376(5) 0.038(2) Uani 1 1 d U
H17A H 0.4450 0.6452 0.2935 0.046 Uiso 1 1 calc R
C18 C 0.1862(8) 0.6394(7) 0.3453(5) 0.048(3) Uani 1 1 d U
H18A H 0.2100 0.6860 0.3833 0.057 Uiso 1 1 calc R
H18B H 0.2110 0.6824 0.3121 0.057 Uiso 1 1 calc R
C19 C 0.0464(9) 0.5889(10) 0.3382(5) 0.071(4) Uani 1 1 d U
H19A H 0.0225 0.5194 0.3502 0.085 Uiso 1 1 calc R
H19B H 0.0144 0.6274 0.3670 0.085 Uiso 1 1 calc R
C20 C -0.0159(9) 0.5808(8) 0.2770(4) 0.046(3) Uani 1 1 d U
H20A H 0.0178 0.6492 0.2633 0.055 Uiso 1 1 calc R
H20B H -0.1036 0.5653 0.2820 0.055 Uiso 1 1 calc R
C21 C -0.0109(7) 0.5039(7) 0.2246(4) 0.034(2) Uani 1 1 d U
H21A H -0.0451 0.5209 0.1877 0.041 Uiso 1 1 calc R
H21B H -0.0700 0.4364 0.2322 0.041 Uiso 1 1 calc R
C22 C 0.1769(9) 0.6778(7) 0.1555(4) 0.043(3) Uani 1 1 d U
H22A H 0.1269 0.6924 0.1864 0.051 Uiso 1 1 calc R
H22B H 0.1220 0.6450 0.1182 0.051 Uiso 1 1 calc R
C23 C 0.2755(10) 0.7777(8) 0.1427(5) 0.059(3) Uani 1 1 d U
H23A H 0.3237 0.8145 0.1811 0.071 Uiso 1 1 calc R
H23B H 0.2354 0.8207 0.1262 0.071 Uiso 1 1 calc R
C24 C 0.3628(9) 0.7626(8) 0.0982(5) 0.057(3) Uani 1 1 d U
H24A H 0.3176 0.7357 0.0579 0.069 Uiso 1 1 calc R
H24B H 0.4295 0.8289 0.0949 0.069 Uiso 1 1 calc R
C25 C 0.4173(9) 0.6888(8) 0.1190(4) 0.051(3) Uani 1 1 d U
H25A H 0.4684 0.6760 0.0881 0.061 Uiso 1 1 calc R
H25B H 0.4710 0.7199 0.1568 0.061 Uiso 1 1 calc R
C26 C 0.3188(8) 0.5889(7) 0.1296(4) 0.039(3) Uani 1 1 d U
H26A H 0.3578 0.5437 0.1441 0.046 Uiso 1 1 calc R
H26B H 0.2692 0.5551 0.0910 0.046 Uiso 1 1 calc R
C27 C 0.2316(8) 0.6047(7) 0.1776(4) 0.029(2) Uani 1 1 d U
H27A H 0.2884 0.6438 0.2138 0.035 Uiso 1 1 calc R
C28 C 0.0130(9) 0.4259(8) 0.0796(4) 0.039(2) Uani 1 1 d U
H28A H -0.0626 0.4362 0.0890 0.047 Uiso 1 1 calc R
H28B H 0.0737 0.4914 0.0700 0.047 Uiso 1 1 calc R
C29 C -0.0161(9) 0.3447(8) 0.0246(4) 0.051(3) Uani 1 1 d U
H29A H -0.0517 0.3669 -0.0099 0.062 Uiso 1 1 calc R
H29B H 0.0611 0.3393 0.0132 0.062 Uiso 1 1 calc R
C30 C -0.1041(9) 0.2417(8) 0.0364(4) 0.046(3) Uani 1 1 d U
H30A H -0.1116 0.1912 0.0016 0.055 Uiso 1 1 calc R
H30B H -0.1861 0.2439 0.0404 0.055 Uiso 1 1 calc R
C31 C -0.0631(8) 0.2073(8) 0.0936(4) 0.039(2) Uani 1 1 d U
H31A H 0.0107 0.1921 0.0870 0.046 Uiso 1 1 calc R
H31B H -0.1289 0.1442 0.1028 0.046 Uiso 1 1 calc R
C32 C -0.0336(8) 0.2914(7) 0.1476(4) 0.027(2) Uani 1 1 d U
H32A H -0.1092 0.3025 0.1559 0.033 Uiso 1 1 calc R
H32B H -0.0053 0.2683 0.1839 0.033 Uiso 1 1 calc R
C33 C 0.0652(8) 0.3918(7) 0.1352(4) 0.028(2) Uani 1 1 d U
H33A H 0.1344 0.3741 0.1212 0.033 Uiso 1 1 calc R
C34 C 0.6776(7) 0.4752(7) 0.1658(4) 0.027(2) Uani 1 1 d U
H34A H 0.7465 0.4522 0.1629 0.033 Uiso 1 1 calc R
H34B H 0.6546 0.4718 0.2077 0.033 Uiso 1 1 calc R
C35 C 0.7206(8) 0.5866(7) 0.1517(4) 0.035(2) Uani 1 1 d U
H35A H 0.6537 0.6115 0.1569 0.042 Uiso 1 1 calc R
H35B H 0.7918 0.6299 0.1803 0.042 Uiso 1 1 calc R
C36 C 0.7568(9) 0.5941(8) 0.0865(4) 0.044(3) Uani 1 1 d U
H36A H 0.7777 0.6647 0.0770 0.053 Uiso 1 1 calc R
H36B H 0.8303 0.5773 0.0829 0.053 Uiso 1 1 calc R
C37 C 0.6513(8) 0.5207(8) 0.0415(4) 0.038(2) Uani 1 1 d U
H37A H 0.6787 0.5232 0.0004 0.046 Uiso 1 1 calc R
H37B H 0.5812 0.5426 0.0417 0.046 Uiso 1 1 calc R
C38 C 0.6095(8) 0.4103(7) 0.0577(4) 0.037(2) Uani 1 1 d U
H38A H 0.6782 0.3869 0.0548 0.044 Uiso 1 1 calc R
H38B H 0.5409 0.3650 0.0284 0.044 Uiso 1 1 calc R
C39 C 0.5674(7) 0.4025(7) 0.1227(3) 0.0220(19) Uani 1 1 d U
H39A H 0.5037 0.4327 0.1242 0.026 Uiso 1 1 calc R
C40 C 0.2990(8) 0.2244(8) 0.0594(4) 0.040(3) Uani 1 1 d U
H40A H 0.2579 0.2456 0.0923 0.048 Uiso 1 1 calc R
H40B H 0.3417 0.2846 0.0385 0.048 Uiso 1 1 calc R
C41 C 0.2021(9) 0.1418(9) 0.0146(4) 0.054(3) Uani 1 1 d U
H41A H 0.1463 0.1707 -0.0037 0.065 Uiso 1 1 calc R
H41B H 0.1525 0.0853 0.0366 0.065 Uiso 1 1 calc R
C42 C 0.2601(9) 0.0990(8) -0.0363(4) 0.052(3) Uani 1 1 d U
H42A H 0.1952 0.0417 -0.0617 0.063 Uiso 1 1 calc R
H42B H 0.2999 0.1527 -0.0622 0.063 Uiso 1 1 calc R
C43 C 0.3553(9) 0.0621(8) -0.0088(4) 0.049(3) Uani 1 1 d U
H43A H 0.3944 0.0381 -0.0416 0.059 Uiso 1 1 calc R
H43B H 0.3135 0.0039 0.0138 0.059 Uiso 1 1 calc R
C44 C 0.4562(8) 0.1486(8) 0.0346(4) 0.040(3) Uani 1 1 d U
H44A H 0.5160 0.1226 0.0517 0.048 Uiso 1 1 calc R
H44B H 0.5006 0.2060 0.0120 0.048 Uiso 1 1 calc R
C45 C 0.3941(8) 0.1857(7) 0.0865(4) 0.031(2) Uani 1 1 d U
H45A H 0.3449 0.1229 0.1045 0.037 Uiso 1 1 calc R
C46 C 0.6337(7) 0.2414(7) 0.1546(4) 0.028(2) Uani 1 1 d U
H46A H 0.6703 0.2552 0.1159 0.033 Uiso 1 1 calc R
H46B H 0.6939 0.2897 0.1865 0.033 Uiso 1 1 calc R
C47 C 0.6235(8) 0.1305(7) 0.1663(4) 0.039(3) Uani 1 1 d U
H47A H 0.5675 0.0814 0.1333 0.046 Uiso 1 1 calc R
H47B H 0.7054 0.1276 0.1634 0.046 Uiso 1 1 calc R
C48 C 0.5787(8) 0.0948(7) 0.2256(4) 0.040(3) Uani 1 1 d U
H48A H 0.6129 0.1533 0.2575 0.048 Uiso 1 1 calc R
H48B H 0.6114 0.0432 0.2358 0.048 Uiso 1 1 calc R
C49 C 0.4391(8) 0.0491(7) 0.2260(4) 0.035(3) Uani 1 1 d U
H49A H 0.4172 -0.0132 0.2465 0.042 Uiso 1 1 calc R
H49B H 0.4030 0.0276 0.1836 0.042 Uiso 1 1 calc R
C50 C 0.1531(8) 0.0250(8) 0.1766(4) 0.039(2) Uani 1 1 d U
H50A H 0.1910 -0.0154 0.1530 0.047 Uiso 1 1 calc R
H50B H 0.1769 0.0922 0.1614 0.047 Uiso 1 1 calc R
C51 C 0.0119(9) -0.0304(9) 0.1689(6) 0.070(3) Uani 1 1 d U
H51A H -0.0252 0.0134 0.1898 0.084 Uiso 1 1 calc R
H51B H -0.0168 -0.0411 0.1255 0.084 Uiso 1 1 calc R
C52 C -0.0330(10) -0.1343(9) 0.1940(6) 0.073(3) Uani 1 1 d U
H52A H -0.1236 -0.1623 0.1926 0.087 Uiso 1 1 calc R
H52B H -0.0088 -0.1826 0.1685 0.087 Uiso 1 1 calc R
C53 C 0.0215(9) -0.1237(8) 0.2589(5) 0.062(3) Uani 1 1 d U
H53A H -0.0010 -0.1923 0.2721 0.075 Uiso 1 1 calc R
H53B H -0.0148 -0.0854 0.2854 0.075 Uiso 1 1 calc R
C54 C 0.1638(8) -0.0681(7) 0.2667(5) 0.044(3) Uani 1 1 d U
H54A H 0.2018 -0.1085 0.2432 0.053 Uiso 1 1 calc R
H54B H 0.1943 -0.0602 0.3097 0.053 Uiso 1 1 calc R
C55 C 0.1992(8) 0.0393(7) 0.2439(4) 0.038(2) Uani 1 1 d U
H55A H 0.1499 0.0726 0.2657 0.046 Uiso 1 1 calc R
C56 C 0.2921(8) 0.1234(8) 0.3839(4) 0.038(3) Uani 1 1 d U
H56A H 0.2522 0.1686 0.3704 0.046 Uiso 1 1 calc R
H56B H 0.2304 0.0527 0.3782 0.046 Uiso 1 1 calc R
C57 C 0.3398(10) 0.1545(8) 0.4506(4) 0.051(3) Uani 1 1 d U
H57A H 0.3975 0.2266 0.4564 0.061 Uiso 1 1 calc R
H57B H 0.2702 0.1483 0.4749 0.061 Uiso 1 1 calc R
C58 C 0.4041(10) 0.0890(9) 0.4725(4) 0.058(3) Uani 1 1 d U
H58A H 0.4401 0.1148 0.5146 0.069 Uiso 1 1 calc R
H58B H 0.3440 0.0183 0.4720 0.069 Uiso 1 1 calc R
C59 C 0.5034(9) 0.0896(8) 0.4335(4) 0.051(3) Uani 1 1 d U
H59A H 0.5387 0.0413 0.4468 0.061 Uiso 1 1 calc R
H59B H 0.5695 0.1584 0.4394 0.061 Uiso 1 1 calc R
C60 C 0.4603(9) 0.0611(8) 0.3663(4) 0.042(3) Uani 1 1 d U
H60A H 0.5311 0.0669 0.3430 0.051 Uiso 1 1 calc R
H60B H 0.4005 -0.0103 0.3591 0.051 Uiso 1 1 calc R
C61 C 0.4011(8) 0.1313(7) 0.3456(4) 0.031(2) Uani 1 1 d U
H61A H 0.4638 0.2013 0.3585 0.037 Uiso 1 1 calc R
C62 C 0.0827(14) 0.8215(11) 0.4487(7) 0.156(8) Uani 1 1 d U
H62A H 0.0894 0.7663 0.4698 0.233 Uiso 1 1 calc R
H62B H 0.1647 0.8676 0.4408 0.233 Uiso 1 1 calc R
H62C H 0.0318 0.7929 0.4105 0.233 Uiso 1 1 calc R
C63 C 0.0293(17) 0.8751(12) 0.4843(8) 0.154(7) Uani 1 1 d U
H63A H -0.0575 0.8280 0.4831 0.185 Uiso 1 1 calc R
H63B H 0.0655 0.8785 0.5258 0.185 Uiso 1 1 calc R
C64 C 0.0240(14) 0.9699(11) 0.4817(7) 0.120(6) Uani 1 1 d U
H64A H -0.0166 0.9644 0.4410 0.144 Uiso 1 1 calc R
H64B H 0.1106 1.0156 0.4800 0.144 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'
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_3
C1 Ru1 P1 91.5(3) .
C1 Ru1 P2 89.0(2) .
P1 Ru1 P2 94.31(9) .
C1 Ru1 Cl3 95.1(2) .
P1 Ru1 Cl3 90.87(9) .
P2 Ru1 Cl3 173.33(8) .
C1 Ru1 Cl2 95.0(3) .
P1 Ru1 Cl2 169.43(8) .
P2 Ru1 Cl2 94.14(8) .
Cl3 Ru1 Cl2 80.26(8) .
C1 Ru1 Cl4 170.0(3) .
P1 Ru1 Cl4 95.37(8) .
P2 Ru1 Cl4 97.76(8) .
Cl3 Ru1 Cl4 77.53(7) .
Cl2 Ru1 Cl4 77.20(7) .
P3 Ru2 P4 96.95(9) .
P3 Ru2 Cl1 91.58(9) .
P4 Ru2 Cl1 89.95(8) .
P3 Ru2 Cl2 94.77(9) .
P4 Ru2 Cl2 100.62(8) .
Cl1 Ru2 Cl2 166.89(8) .
P3 Ru2 Cl3 92.56(8) .
P4 Ru2 Cl3 170.33(9) .
Cl1 Ru2 Cl3 88.11(8) .
Cl2 Ru2 Cl3 80.17(7) .
P3 Ru2 Cl4 167.92(7) .
P4 Ru2 Cl4 94.25(8) .
Cl1 Ru2 Cl4 92.93(8) .
Cl2 Ru2 Cl4 78.69(7) .
Cl3 Ru2 Cl4 76.40(7) .
Ru2 Cl2 Ru1 88.43(8) .
Ru1 Cl3 Ru2 86.12(7) .
Ru2 Cl4 Ru1 84.04(7) .
C18 P1 C17 102.2(4) .
C18 P1 C11 104.7(4) .
C17 P1 C11 103.7(4) .
C18 P1 Ru1 118.6(4) .
C17 P1 Ru1 110.8(3) .
C11 P1 Ru1 115.2(3) .
C27 P2 C33 105.8(4) .
C27 P2 C21 106.3(4) .
C33 P2 C21 99.3(4) .
C27 P2 Ru1 114.9(3) .
C33 P2 Ru1 110.9(3) .
C21 P2 Ru1 118.0(3) .
C49 P3 C55 99.1(4) .
C49 P3 C61 104.2(4) .
C55 P3 C61 105.8(4) .
C49 P3 Ru2 120.4(3) .
C55 P3 Ru2 117.3(3) .
C61 P3 Ru2 108.5(3) .
C46 P4 C39 99.0(4) .
C46 P4 C45 103.5(4) .
C39 P4 C45 106.2(4) .
C46 P4 Ru2 117.3(3) .
C39 P4 Ru2 110.1(2) .
C45 P4 Ru2 118.5(3) .
C2 C1 Ru1 123.4(6) .
C3 C2 C1 123.8(8) .
C2 C3 C4 125.3(9) .
C2 C3 C5 118.1(8) .
C4 C3 C5 116.5(8) .
C7 C6 C11 111.4(9) .
C6 C7 C8 110.6(9) .
C9 C8 C7 110.6(9) .
C8 C9 C10 113.2(9) .
C11 C10 C9 109.4(8) .
C10 C11 C6 110.0(7) .
C10 C11 P1 115.7(7) .
C6 C11 P1 113.8(7) .
C17 C12 C13 110.4(8) .
C14 C13 C12 111.8(9) .
C13 C14 C15 112.3(10) .
C14 C15 C16 113.0(9) .
C17 C16 C15 109.7(8) .
C16 C17 C12 112.6(8) .
C16 C17 P1 119.0(6) .
C12 C17 P1 113.8(6) .
C19 C18 P1 120.4(8) .
C20 C19 C18 116.8(10) .
C19 C20 C21 121.1(8) .
C20 C21 P2 125.1(6) .
C27 C22 C23 112.2(8) .
C22 C23 C24 113.1(8) .
C25 C24 C23 110.6(8) .
C26 C25 C24 111.7(8) .
C25 C26 C27 111.7(8) .
C22 C27 C26 108.2(7) .
C22 C27 P2 119.8(6) .
C26 C27 P2 113.4(6) .
C29 C28 C33 110.3(8) .
C30 C29 C28 112.8(8) .
C29 C30 C31 112.3(9) .
C30 C31 C32 110.5(8) .
C33 C32 C31 111.9(7) .
C32 C33 C28 106.6(8) .
C32 C33 P2 113.2(6) .
C28 C33 P2 119.0(6) .
C39 C34 C35 112.8(7) .
C36 C35 C34 110.2(8) .
C37 C36 C35 110.9(7) .
C36 C37 C38 111.1(8) .
C37 C38 C39 111.5(7) .
C34 C39 C38 106.6(6) .
C34 C39 P4 110.9(6) .
C38 C39 P4 120.7(6) .
C41 C40 C45 111.6(8) .
C40 C41 C42 112.5(8) .
C43 C42 C41 110.0(8) .
C42 C43 C44 111.7(8) .
C45 C44 C43 109.1(7) .
C40 C45 C44 109.6(7) .
C40 C45 P4 112.9(6) .
C44 C45 P4 117.5(6) .
C47 C46 P4 121.6(6) .
C48 C47 C46 117.0(7) .
C47 C48 C49 114.6(8) .
C48 C49 P3 118.0(7) .
C55 C50 C51 109.5(8) .
C52 C51 C50 112.9(9) .
C53 C52 C51 111.0(10) .
C52 C53 C54 113.0(9) .
C53 C54 C55 108.8(8) .
C50 C55 C54 109.0(8) .
C50 C55 P3 113.6(6) .
C54 C55 P3 115.9(6) .
C57 C56 C61 109.5(8) .
C58 C57 C56 111.5(8) .
C59 C58 C57 110.8(8) .
C58 C59 C60 114.0(8) .
C61 C60 C59 109.7(8) .
C60 C61 C56 109.1(7) .
C60 C61 P3 118.7(6) .
C56 C61 P3 114.0(6) .
C64 C63 C62 131.8(16) .
C63 C64 C64 134.2(18) 2_576
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 1.888(8) .
Ru1 P1 2.304(3) .
Ru1 P2 2.320(2) .
Ru1 Cl3 2.451(2) .
Ru1 Cl2 2.471(2) .
Ru1 Cl4 2.543(2) .
Ru2 P3 2.257(3) .
Ru2 P4 2.277(2) .
Ru2 Cl1 2.398(2) .
Ru2 Cl2 2.400(2) .
Ru2 Cl3 2.525(2) .
Ru2 Cl4 2.532(2) .
P1 C18 1.832(8) .
P1 C17 1.858(9) .
P1 C11 1.869(8) .
P2 C27 1.834(9) .
P2 C33 1.847(9) .
P2 C21 1.849(7) .
P3 C49 1.824(8) .
P3 C55 1.871(9) .
P3 C61 1.879(8) .
P4 C46 1.830(7) .
P4 C39 1.854(8) .
P4 C45 1.867(9) .
C1 C2 1.459(11) .
C2 C3 1.362(11) .
C3 C4 1.460(11) .
C3 C5 1.489(13) .
C6 C7 1.518(12) .
C6 C11 1.553(12) .
C7 C8 1.539(13) .
C8 C9 1.485(13) .
C9 C10 1.541(12) .
C10 C11 1.507(12) .
C12 C17 1.519(11) .
C12 C13 1.537(12) .
C13 C14 1.468(14) .
C14 C15 1.502(13) .
C15 C16 1.523(12) .
C16 C17 1.515(12) .
C18 C19 1.511(12) .
C19 C20 1.480(12) .
C20 C21 1.537(11) .
C22 C27 1.508(11) .
C22 C23 1.511(12) .
C23 C24 1.514(11) .
C24 C25 1.505(12) .
C25 C26 1.496(12) .
C26 C27 1.570(10) .
C28 C29 1.526(12) .
C28 C33 1.539(11) .
C29 C30 1.488(12) .
C30 C31 1.514(12) .
C31 C32 1.535(11) .
C32 C33 1.514(11) .
C34 C39 1.525(11) .
C34 C35 1.528(11) .
C35 C36 1.527(11) .
C36 C37 1.522(12) .
C37 C38 1.532(12) .
C38 C39 1.546(10) .
C40 C41 1.520(12) .
C40 C45 1.531(11) .
C41 C42 1.538(11) .
C42 C43 1.519(12) .
C43 C44 1.548(12) .
C44 C45 1.547(10) .
C46 C47 1.573(11) .
C47 C48 1.498(11) .
C48 C49 1.514(11) .
C50 C55 1.527(12) .
C50 C51 1.531(12) .
C51 C52 1.529(14) .
C52 C53 1.513(14) .
C53 C54 1.543(12) .
C54 C55 1.554(11) .
C56 C57 1.517(12) .
C56 C61 1.544(10) .
C57 C58 1.493(12) .
C58 C59 1.483(11) .
C59 C60 1.513(12) .
C60 C61 1.498(11) .
C62 C63 1.375(15) .
C63 C64 1.371(16) .
C64 C64 1.41(2) 2_576
