#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:20:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178744 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/55/4085527.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_4085527
loop_
_publ_author_name
'Oerthel, Marie-Christine'
'Yufit, Dmitry S.'
'Fox, Mark A.'
'Bryce, Martin R.'
'Low, Paul J.'
_publ_section_title
;
 Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on
 Complex” Cross-Coupling Reactions
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2395
_journal_paper_doi               10.1021/om501186c
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C96 H74 P4 Ru2, C H2 Cl2'
_chemical_formula_sum            'C97 H76 Cl2 P4 Ru2'
_chemical_formula_weight         1638.50
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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_date             2012-10-01
_audit_creation_method
;
  Olex2 1.2-beta
  (compiled 2012.08.15 svn.r2450, GUI svn.r4314)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.678(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.693(7)
_cell_length_b                   11.384(4)
_cell_length_c                   21.646(9)
_cell_measurement_reflns_used    7378
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.79
_cell_measurement_theta_min      2.53
_cell_volume                     4066(3)
_computing_cell_refinement       'Rigaku CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'Rigaku CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku Saturn 724+ CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'double crystal silicon'
_diffrn_radiation_type           'synchrotron '
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.0929
_diffrn_reflns_av_unetI/netI     0.0957
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20671
_diffrn_reflns_theta_full        23.00
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         2.04
_diffrn_source
;
undulator, Beamline I19, Diamond Light Source, RAL
;
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.563
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1445 before and 0.0893 after correction.
The Ratio of minimum to maximum transmission is 0.6559.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.001
_refine_diff_density_max         1.179
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6114
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1234
_refine_ls_R_factor_gt           0.0800
_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)+(0.1500P)²+8.3000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2221
_refine_ls_wR_factor_ref         0.2575
_reflns_number_gt                3957
_reflns_number_total             6114
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om501186c_si_002.cif
_cod_data_source_block           5_d12srv194
_cod_depositor_comments
'Adding full bibliography for 4085524--4085528.cif.'
_cod_database_code               4085527
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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
Ru1 Ru 0.81618(4) 0.59580(7) 0.26449(3) 0.0541(3) Uani 1 1 d .
P1 P 0.70903(13) 0.5813(2) 0.32256(9) 0.0491(6) Uani 1 1 d .
P2 P 0.78597(14) 0.4274(2) 0.20647(10) 0.0539(6) Uani 1 1 d .
C1 C 0.7535(6) 0.6894(8) 0.1978(4) 0.058(2) Uani 1 1 d .
C2 C 0.7187(7) 0.7589(9) 0.1591(4) 0.072(3) Uani 1 1 d .
C3 C 0.6690(6) 0.8260(9) 0.1188(4) 0.059(2) Uani 1 1 d .
C4 C 0.6228(7) 0.8794(12) 0.0837(5) 0.084(3) Uani 1 1 d .
C5 C 0.5611(7) 0.9434(12) 0.0404(4) 0.079(3) Uani 1 1 d .
C6 C 0.5707(7) 1.0599(11) 0.0228(5) 0.083(3) Uani 1 1 d .
H6 H 0.6184 1.0991 0.0383 0.100 Uiso 1 1 calc R
C7 C 0.4872(8) 0.8825(12) 0.0162(5) 0.089(3) Uani 1 1 d .
H7 H 0.4795 0.8047 0.0272 0.107 Uiso 1 1 calc R
C8 C 0.9055(6) 0.7452(11) 0.2813(5) 0.080(3) Uani 1 1 d .
H8 H 0.8931 0.8220 0.2688 0.097 Uiso 1 1 calc R
C9 C 0.9366(6) 0.6555(11) 0.2448(5) 0.081(3) Uani 1 1 d .
H9 H 0.9466 0.6639 0.2039 0.097 Uiso 1 1 calc R
C10 C 0.9492(6) 0.5541(11) 0.2807(5) 0.078(3) Uani 1 1 d .
H10 H 0.9693 0.4832 0.2682 0.093 Uiso 1 1 calc R
C11 C 0.9258(6) 0.5784(11) 0.3403(5) 0.079(3) Uani 1 1 d .
H11 H 0.9290 0.5258 0.3735 0.094 Uiso 1 1 calc R
C12 C 0.8970(6) 0.6945(12) 0.3407(4) 0.081(3) Uani 1 1 d .
H12 H 0.8764 0.7315 0.3733 0.097 Uiso 1 1 calc R
C21 C 0.7209(5) 0.4546(8) 0.3778(4) 0.056(2) Uani 1 1 d .
C22 C 0.7848(6) 0.4611(11) 0.4288(5) 0.077(3) Uani 1 1 d .
H22 H 0.8166 0.5285 0.4351 0.093 Uiso 1 1 calc R
C23 C 0.7999(7) 0.3661(11) 0.4696(5) 0.086(3) Uani 1 1 d .
H23 H 0.8422 0.3702 0.5027 0.103 Uiso 1 1 calc R
C24 C 0.7528(6) 0.2661(10) 0.4614(5) 0.076(3) Uani 1 1 d .
H24 H 0.7622 0.2037 0.4892 0.091 Uiso 1 1 calc R
C25 C 0.6909(6) 0.2607(9) 0.4104(4) 0.068(3) Uani 1 1 d .
H25 H 0.6596 0.1930 0.4038 0.081 Uiso 1 1 calc R
C26 C 0.6753(6) 0.3540(8) 0.3695(4) 0.059(2) Uani 1 1 d .
H26 H 0.6335 0.3485 0.3360 0.071 Uiso 1 1 calc R
C31 C 0.7058(5) 0.7112(8) 0.3740(4) 0.051(2) Uani 1 1 d .
C32 C 0.6905(6) 0.7049(9) 0.4356(4) 0.061(2) Uani 1 1 d .
H32 H 0.6794 0.6329 0.4528 0.074 Uiso 1 1 calc R
C33 C 0.6918(6) 0.8068(10) 0.4709(4) 0.071(3) Uani 1 1 d .
H33 H 0.6852 0.8016 0.5128 0.086 Uiso 1 1 calc R
C34 C 0.7027(6) 0.9157(8) 0.4453(4) 0.060(2) Uani 1 1 d .
H34 H 0.7033 0.9831 0.4696 0.072 Uiso 1 1 calc R
C35 C 0.7126(6) 0.9233(9) 0.3839(4) 0.066(3) Uani 1 1 d .
H35 H 0.7175 0.9966 0.3660 0.080 Uiso 1 1 calc R
C36 C 0.7154(6) 0.8213(8) 0.3476(4) 0.061(2) Uani 1 1 d .
H36 H 0.7235 0.8271 0.3062 0.073 Uiso 1 1 calc R
C41 C 0.6012(5) 0.5750(7) 0.2879(4) 0.051(2) Uani 1 1 d .
C42 C 0.5416(5) 0.5432(9) 0.3242(4) 0.064(2) Uani 1 1 d .
H42 H 0.5566 0.5206 0.3656 0.077 Uiso 1 1 calc R
C43 C 0.4594(6) 0.5453(10) 0.2981(5) 0.074(3) Uani 1 1 d .
H43 H 0.4208 0.5215 0.3223 0.089 Uiso 1 1 calc R
C44 C 0.4348(6) 0.5817(9) 0.2379(4) 0.065(3) Uani 1 1 d .
H44 H 0.3802 0.5825 0.2207 0.078 Uiso 1 1 calc R
C45 C 0.4939(6) 0.6171(10) 0.2034(4) 0.071(3) Uani 1 1 d .
H45 H 0.4782 0.6444 0.1629 0.086 Uiso 1 1 calc R
C46 C 0.5757(6) 0.6133(10) 0.2274(4) 0.072(3) Uani 1 1 d .
H46 H 0.6138 0.6365 0.2026 0.086 Uiso 1 1 calc R
C51 C 0.6848(6) 0.4061(8) 0.1625(4) 0.060(2) Uani 1 1 d .
C52 C 0.6249(6) 0.3476(9) 0.1893(4) 0.070(3) Uani 1 1 d .
H52 H 0.6379 0.3135 0.2286 0.085 Uiso 1 1 calc R
C53 C 0.5450(6) 0.3398(10) 0.1575(5) 0.079(3) Uani 1 1 d .
H53 H 0.5050 0.3049 0.1769 0.095 Uiso 1 1 calc R
C54 C 0.5260(7) 0.3827(12) 0.0988(6) 0.097(4) Uani 1 1 d .
H54 H 0.4748 0.3704 0.0761 0.116 Uiso 1 1 calc R
C55 C 0.5843(7) 0.4455(13) 0.0730(5) 0.100(4) Uani 1 1 d .
H55 H 0.5701 0.4805 0.0341 0.120 Uiso 1 1 calc R
C56 C 0.6613(7) 0.4571(12) 0.1032(4) 0.083(3) Uani 1 1 d .
H56 H 0.6990 0.4991 0.0845 0.100 Uiso 1 1 calc R
C61 C 0.8493(5) 0.4173(7) 0.1431(4) 0.053(2) Uani 1 1 d .
C62 C 0.8907(5) 0.3146(9) 0.1313(4) 0.060(2) Uani 1 1 d .
H62 H 0.8900 0.2500 0.1576 0.073 Uiso 1 1 calc R
C63 C 0.9330(5) 0.3086(9) 0.0805(4) 0.059(2) Uani 1 1 d .
H63 H 0.9603 0.2401 0.0729 0.071 Uiso 1 1 calc R
C64 C 0.9343(6) 0.4049(9) 0.0412(4) 0.066(3) Uani 1 1 d .
H64 H 0.9609 0.3998 0.0065 0.080 Uiso 1 1 calc R
C65 C 0.8959(6) 0.5088(10) 0.0537(4) 0.073(3) Uani 1 1 d .
H65 H 0.8976 0.5739 0.0279 0.087 Uiso 1 1 calc R
C66 C 0.8548(6) 0.5144(9) 0.1053(4) 0.065(2) Uani 1 1 d .
H66 H 0.8307 0.5847 0.1144 0.078 Uiso 1 1 calc R
C71 C 0.8067(6) 0.2871(8) 0.2482(4) 0.059(2) Uani 1 1 d .
C72 C 0.7782(7) 0.1812(10) 0.2203(5) 0.079(3) Uani 1 1 d .
H72 H 0.7448 0.1802 0.1818 0.095 Uiso 1 1 calc R
C73 C 0.8021(9) 0.0753(11) 0.2526(8) 0.102(5) Uani 1 1 d .
H73 H 0.7832 0.0039 0.2353 0.123 Uiso 1 1 calc R
C74 C 0.8532(9) 0.0764(14) 0.3097(8) 0.104(4) Uani 1 1 d .
H74 H 0.8704 0.0057 0.3288 0.124 Uiso 1 1 calc R
C75 C 0.8783(9) 0.1787(13) 0.3377(6) 0.096(4) Uani 1 1 d .
H75 H 0.9104 0.1796 0.3767 0.115 Uiso 1 1 calc R
C76 C 0.8541(7) 0.2847(10) 0.3058(5) 0.076(3) Uani 1 1 d .
H76 H 0.8711 0.3556 0.3247 0.091 Uiso 1 1 calc R
Cl1 Cl 0.9440(3) 0.8400(5) 0.0253(2) 0.0732(14) Uani 0.50 1 d P
Cl2 Cl 0.8720(3) 0.9707(5) 0.1228(2) 0.0711(13) Uani 0.50 1 d P
C1S C 0.8613(11) 0.8536(19) 0.0718(8) 0.067(5) Uani 0.50 1 d P
H1SA H 0.8106 0.8620 0.0437 0.080 Uiso 0.50 1 calc PR
H1SB H 0.8583 0.7818 0.0954 0.080 Uiso 0.50 1 calc PR
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0032 0.0015 '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'
Cl Cl 0.1418 0.1507 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0990 0.0908 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.3442 0.7900 '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
P2 Ru1 P1 96.42(8) .
C1 Ru1 P1 93.9(3) .
C1 Ru1 P2 90.1(3) .
C1 Ru1 C8 88.6(4) .
C1 Ru1 C9 95.2(4) .
C1 Ru1 C10 129.4(4) .
C1 Ru1 C11 149.2(4) .
C1 Ru1 C12 117.3(4) .
C8 Ru1 P1 120.4(3) .
C8 Ru1 P2 143.2(3) .
C8 Ru1 C11 60.6(4) .
C8 Ru1 C12 37.0(4) .
C9 Ru1 P1 155.6(3) .
C9 Ru1 P2 106.2(3) .
C9 Ru1 C8 37.4(4) .
C9 Ru1 C10 36.2(4) .
C9 Ru1 C11 60.9(4) .
C9 Ru1 C12 62.1(4) .
C10 Ru1 P1 135.9(3) .
C10 Ru1 P2 92.2(3) .
C10 Ru1 C8 61.3(4) .
C10 Ru1 C11 36.9(4) .
C10 Ru1 C12 61.6(4) .
C11 Ru1 P1 101.7(3) .
C11 Ru1 P2 114.0(3) .
C12 Ru1 P1 93.6(3) .
C12 Ru1 P2 150.0(3) .
C12 Ru1 C11 36.1(4) .
C21 P1 Ru1 112.5(3) .
C31 P1 Ru1 111.1(3) .
C31 P1 C21 103.9(4) .
C41 P1 Ru1 124.2(3) .
C41 P1 C21 103.5(4) .
C41 P1 C31 99.2(4) .
C51 P2 Ru1 120.2(3) .
C51 P2 C61 101.1(4) .
C51 P2 C71 103.4(4) .
C61 P2 Ru1 110.6(3) .
C71 P2 Ru1 116.4(3) .
C71 P2 C61 102.9(4) .
C2 C1 Ru1 172.8(8) .
C1 C2 C3 170.3(12) .
C4 C3 C2 176.2(12) .
C3 C4 C5 177.2(13) .
C6 C5 C4 123.0(12) .
C6 C5 C7 119.0(10) .
C7 C5 C4 118.0(12) .
C5 C6 H6 119.0 .
C7 C6 C5 122.0(12) 3_675
C7 C6 H6 119.0 3_675
C5 C7 H7 120.5 .
C6 C7 C5 119.0(12) 3_675
C6 C7 H7 120.5 3_675
Ru1 C8 H8 123.4 .
C9 C8 Ru1 70.1(6) .
C9 C8 H8 126.2 .
C12 C8 Ru1 71.9(6) .
C12 C8 H8 126.2 .
C12 C8 C9 107.5(11) .
Ru1 C9 H9 120.8 .
C8 C9 Ru1 72.5(6) .
C8 C9 H9 125.7 .
C10 C9 Ru1 72.8(6) .
C10 C9 C8 108.6(10) .
C10 C9 H9 125.7 .
Ru1 C10 H10 122.0 .
C9 C10 Ru1 71.0(6) .
C9 C10 H10 126.1 .
C9 C10 C11 107.8(10) .
C11 C10 Ru1 72.7(6) .
C11 C10 H10 126.1 .
Ru1 C11 H11 124.1 .
C10 C11 Ru1 70.4(6) .
C10 C11 H11 125.5 .
C12 C11 Ru1 71.6(6) .
C12 C11 C10 109.1(10) .
C12 C11 H11 125.5 .
Ru1 C12 H12 121.9 .
C8 C12 Ru1 71.1(5) .
C8 C12 H12 126.5 .
C11 C12 Ru1 72.3(6) .
C11 C12 C8 107.0(10) .
C11 C12 H12 126.5 .
C22 C21 P1 117.0(7) .
C26 C21 P1 124.0(6) .
C26 C21 C22 118.9(9) .
C21 C22 H22 120.2 .
C23 C22 C21 119.6(10) .
C23 C22 H22 120.2 .
C22 C23 H23 119.5 .
C24 C23 C22 121.0(10) .
C24 C23 H23 119.5 .
C23 C24 H24 120.7 .
C23 C24 C25 118.6(9) .
C25 C24 H24 120.7 .
C24 C25 H25 119.4 .
C26 C25 C24 121.2(10) .
C26 C25 H25 119.4 .
C21 C26 C25 120.7(9) .
C21 C26 H26 119.6 .
C25 C26 H26 119.6 .
C32 C31 P1 123.9(7) .
C32 C31 C36 119.0(8) .
C36 C31 P1 116.9(6) .
C31 C32 H32 120.2 .
C33 C32 C31 119.6(9) .
C33 C32 H32 120.2 .
C32 C33 H33 119.3 .
C34 C33 C32 121.3(8) .
C34 C33 H33 119.3 .
C33 C34 H34 120.3 .
C35 C34 C33 119.4(9) .
C35 C34 H34 120.3 .
C34 C35 H35 119.7 .
C34 C35 C36 120.7(9) .
C36 C35 H35 119.7 .
C31 C36 C35 119.8(8) .
C31 C36 H36 120.1 .
C35 C36 H36 120.1 .
C42 C41 P1 120.8(6) .
C46 C41 P1 121.0(7) .
C46 C41 C42 117.9(8) .
C41 C42 H42 119.9 .
C43 C42 C41 120.1(8) .
C43 C42 H42 119.9 .
C42 C43 H43 119.2 .
C44 C43 C42 121.5(9) .
C44 C43 H43 119.2 .
C43 C44 H44 121.1 .
C43 C44 C45 117.7(9) .
C45 C44 H44 121.1 .
C44 C45 H45 119.0 .
C44 C45 C46 122.1(9) .
C46 C45 H45 119.0 .
C41 C46 C45 120.6(9) .
C41 C46 H46 119.7 .
C45 C46 H46 119.7 .
C52 C51 P2 120.7(7) .
C52 C51 C56 117.1(9) .
C56 C51 P2 121.9(7) .
C51 C52 H52 119.7 .
C51 C52 C53 120.7(10) .
C53 C52 H52 119.7 .
C52 C53 H53 119.8 .
C54 C53 C52 120.5(10) .
C54 C53 H53 119.8 .
C53 C54 H54 120.5 .
C53 C54 C55 118.9(11) .
C55 C54 H54 120.5 .
C54 C55 H55 119.1 .
C56 C55 C54 121.8(11) .
C56 C55 H55 119.1 .
C51 C56 H56 119.7 .
C55 C56 C51 120.7(10) .
C55 C56 H56 119.7 .
C62 C61 P2 122.5(6) .
C66 C61 P2 118.9(7) .
C66 C61 C62 118.6(8) .
C61 C62 H62 119.8 .
C63 C62 C61 120.4(9) .
C63 C62 H62 119.8 .
C62 C63 H63 120.0 .
C64 C63 C62 120.1(9) .
C64 C63 H63 120.0 .
C63 C64 H64 120.0 .
C63 C64 C65 120.1(8) .
C65 C64 H64 120.0 .
C64 C65 H65 120.3 .
C64 C65 C66 119.4(9) .
C66 C65 H65 120.3 .
C61 C66 C65 121.3(9) .
C61 C66 H66 119.3 .
C65 C66 H66 119.3 .
C72 C71 P2 120.6(8) .
C76 C71 P2 120.2(8) .
C76 C71 C72 119.1(10) .
C71 C72 H72 121.1 .
C71 C72 C73 117.8(12) .
C73 C72 H72 121.1 .
C72 C73 H73 119.4 .
C74 C73 C72 121.2(13) .
C74 C73 H73 119.4 .
C73 C74 H74 119.6 .
C75 C74 C73 120.9(13) .
C75 C74 H74 119.6 .
C74 C75 H75 121.0 .
C74 C75 C76 118.0(13) .
C76 C75 H75 121.0 .
C71 C76 C75 122.8(12) .
C71 C76 H76 118.6 .
C75 C76 H76 118.6 .
Cl1 C1S H1SA 108.8 .
Cl1 C1S H1SB 108.8 .
Cl2 C1S Cl1 113.8(11) .
Cl2 C1S H1SA 108.8 .
Cl2 C1S H1SB 108.8 .
H1SA C1S H1SB 107.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 P1 2.342(2) .
Ru1 P2 2.306(3) .
Ru1 C1 1.965(10) .
Ru1 C8 2.254(10) .
Ru1 C9 2.223(10) .
Ru1 C10 2.246(10) .
Ru1 C11 2.275(10) .
Ru1 C12 2.266(10) .
P1 C21 1.865(9) .
P1 C31 1.857(9) .
P1 C41 1.845(8) .
P2 C51 1.825(10) .
P2 C61 1.857(8) .
P2 C71 1.841(10) .
C1 C2 1.233(13) .
C2 C3 1.346(14) .
C3 C4 1.168(14) .
C4 C5 1.476(16) .
C5 C6 1.395(16) .
C5 C7 1.444(17) .
C6 H6 0.9300 .
C6 C7 1.353(15) 3_675
C7 C6 1.353(15) 3_675
C7 H7 0.9300 .
C8 H8 0.9300 .
C8 C9 1.436(16) .
C8 C12 1.435(15) .
C9 H9 0.9300 .
C9 C10 1.390(16) .
C10 H10 0.9300 .
C10 C11 1.431(14) .
C11 H11 0.9300 .
C11 C12 1.407(16) .
C12 H12 0.9300 .
C21 C22 1.417(13) .
C21 C26 1.372(13) .
C22 H22 0.9300 .
C22 C23 1.394(15) .
C23 H23 0.9300 .
C23 C24 1.379(15) .
C24 H24 0.9300 .
C24 C25 1.394(14) .
C25 H25 0.9300 .
C25 C26 1.382(13) .
C26 H26 0.9300 .
C31 C32 1.396(11) .
C31 C36 1.397(12) .
C32 H32 0.9300 .
C32 C33 1.388(13) .
C33 H33 0.9300 .
C33 C34 1.382(13) .
C34 H34 0.9300 .
C34 C35 1.366(12) .
C35 H35 0.9300 .
C35 C36 1.407(13) .
C36 H36 0.9300 .
C41 C42 1.406(12) .
C41 C46 1.385(12) .
C42 H42 0.9300 .
C42 C43 1.402(13) .
C43 H43 0.9300 .
C43 C44 1.372(13) .
C44 H44 0.9300 .
C44 C45 1.384(14) .
C45 H45 0.9300 .
C45 C46 1.386(13) .
C46 H46 0.9300 .
C51 C52 1.398(13) .
C51 C56 1.411(13) .
C52 H52 0.9300 .
C52 C53 1.408(14) .
C53 H53 0.9300 .
C53 C54 1.353(16) .
C54 H54 0.9300 .
C54 C55 1.390(17) .
C55 H55 0.9300 .
C55 C56 1.358(15) .
C56 H56 0.9300 .
C61 C62 1.402(13) .
C61 C66 1.387(12) .
C62 H62 0.9300 .
C62 C63 1.396(12) .
C63 H63 0.9300 .
C63 C64 1.389(13) .
C64 H64 0.9300 .
C64 C65 1.391(14) .
C65 H65 0.9300 .
C65 C66 1.398(12) .
C66 H66 0.9300 .
C71 C72 1.399(14) .
C71 C76 1.373(14) .
C72 H72 0.9300 .
C72 C73 1.420(17) .
C73 H73 0.9300 .
C73 C74 1.39(2) .
C74 H74 0.9300 .
C74 C75 1.349(19) .
C75 H75 0.9300 .
C75 C76 1.419(15) .
C76 H76 0.9300 .
Cl1 C1S 1.834(17) .
Cl2 C1S 1.72(2) .
C1S H1SA 0.9700 .
C1S H1SB 0.9700 .
