#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:20:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178744 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/55/4085528.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_4085528
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         'C90 H70 P4 Ru2, 2(C H2 Cl2)'
_chemical_formula_sum            'C92 H74 Cl4 P4 Ru2'
_chemical_formula_weight         1647.33
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_date             2014-09-11
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2014.08.28 svn.r2986 for OlexSys, GUI svn.r4874)
;
_cell_angle_alpha                90.247(18)
_cell_angle_beta                 96.490(17)
_cell_angle_gamma                106.425(17)
_cell_formula_units_Z            1
_cell_length_a                   8.8692(4)
_cell_length_b                   12.6858(5)
_cell_length_c                   17.6885(7)
_cell_measurement_reflns_used    5845
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      25.31
_cell_measurement_theta_min      2.41
_cell_volume                     1895.4(2)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'APEX2 v.2013.4_1 (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'Bruker PHOTON 100 CMOS'
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Bruker D8 Venture'
_diffrn_measurement_device_type  D8Venture
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1696
_diffrn_reflns_av_unetI/netI     0.1718
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32488
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.41
_diffrn_source                   'ImuS microsource'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1547 before and 0.1182 after correction.
The Ratio of minimum to maximum transmission is 0.6688.
The λ/2 correction factor is 0.0015.
;
_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    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             842
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.306
_refine_diff_density_min         -0.722
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         8724
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.1373
_refine_ls_R_factor_gt           0.0753
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1512
_refine_ls_wR_factor_ref         0.1745
_reflns_number_gt                5362
_reflns_number_total             8724
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om501186c_si_002.cif
_cod_data_source_block           6_14srv197
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4085524--4085528.cif.
;
_cod_original_cell_volume        1895.35(14)
_cod_database_code               4085528
#BEGIN Tags that were not found in dictionaries:
_computing.bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 Cl2-C10 \\sim Cl1-C10 \\sim Cl2A-C10
 with sigma of 0.005
3. Others
 Fixed Sof: Cl2(0.8) Cl2A(0.2)
4.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
4.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C32(H32),
  C33(H33), C34(H34), C35(H35), C36(H36), C42(H42), C43(H43), C44(H44),
 C45(H45), C46(H46), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56), C62(H62),
  C63(H63), C64(H64), C65(H65), C66(H66)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Ru1 Ru 0.52433(5) 0.67598(4) 0.22858(2) 0.01818(15) Uani 1 d . . .
P1 P 0.72476(15) 0.82599(12) 0.20230(8) 0.0200(3) Uani 1 d . . .
P2 P 0.66838(15) 0.56366(11) 0.27783(8) 0.0193(3) Uani 1 d . . .
C1 C 0.5332(6) 0.7521(4) 0.3274(3) 0.0220(12) Uani 1 d . . .
C2 C 0.5202(6) 0.8083(5) 0.3817(3) 0.0236(12) Uani 1 d . . .
C3 C 0.5128(6) 0.8850(5) 0.4341(3) 0.0257(13) Uani 1 d . . .
C4 C 0.5045(6) 0.9589(5) 0.4764(3) 0.0264(13) Uani 1 d . . .
C5 C 0.2980(6) 0.7067(5) 0.1813(3) 0.0317(14) Uani 1 d . . .
H5 H 0.2721 0.7724 0.1923 0.038 Uiso 1 calc . . R
C6 C 0.3759(6) 0.6869(5) 0.1202(3) 0.0297(14) Uani 1 d . . .
H6 H 0.4132 0.7384 0.0829 0.036 Uiso 1 calc . . R
C7 C 0.3902(6) 0.5793(5) 0.1226(3) 0.0293(14) Uani 1 d . . .
H7 H 0.4372 0.5454 0.0874 0.035 Uiso 1 calc . . R
C8 C 0.3215(6) 0.5307(5) 0.1873(3) 0.0295(14) Uani 1 d . . .
H8 H 0.3144 0.4583 0.2034 0.035 Uiso 1 calc . . R
C9 C 0.2653(6) 0.6093(5) 0.2234(3) 0.0326(15) Uani 1 d . . .
H9 H 0.2143 0.5988 0.2683 0.039 Uiso 1 calc . . R
C11 C 0.8355(6) 0.8167(5) 0.1220(3) 0.0235(12) Uani 1 d . . .
C12 C 0.7811(7) 0.7298(5) 0.0689(3) 0.0288(13) Uani 1 d . . .
H12 H 0.6873 0.6734 0.0752 0.035 Uiso 1 calc . . R
C13 C 0.8611(7) 0.7236(5) 0.0068(3) 0.0372(15) Uani 1 d . . .
H13 H 0.8215 0.6632 -0.0290 0.045 Uiso 1 calc . . R
C14 C 0.9967(8) 0.8041(5) -0.0034(3) 0.0391(16) Uani 1 d . . .
H14 H 1.0508 0.7999 -0.0462 0.047 Uiso 1 calc . . R
C15 C 1.0544(7) 0.8915(5) 0.0491(3) 0.0372(16) Uani 1 d . . .
H15 H 1.1495 0.9467 0.0428 0.045 Uiso 1 calc . . R
C16 C 0.9742(7) 0.8988(5) 0.1108(3) 0.0316(14) Uani 1 d . . .
H16 H 1.0135 0.9599 0.1459 0.038 Uiso 1 calc . . R
C21 C 0.6376(6) 0.9383(4) 0.1742(3) 0.0223(12) Uani 1 d . . .
C22 C 0.6618(7) 0.9937(5) 0.1064(3) 0.0353(15) Uani 1 d . . .
H22 H 0.7323 0.9774 0.0745 0.042 Uiso 1 calc . . R
C23 C 0.5855(8) 1.0713(5) 0.0850(4) 0.0420(17) Uani 1 d . . .
H23 H 0.6030 1.1077 0.0386 0.050 Uiso 1 calc . . R
C24 C 0.4831(7) 1.0964(5) 0.1310(4) 0.0388(16) Uani 1 d . . .
H24 H 0.4300 1.1497 0.1160 0.047 Uiso 1 calc . . R
C25 C 0.4584(7) 1.0442(5) 0.1982(4) 0.0342(15) Uani 1 d . . .
H25 H 0.3894 1.0621 0.2302 0.041 Uiso 1 calc . . R
C26 C 0.5339(7) 0.9657(5) 0.2193(3) 0.0288(13) Uani 1 d . . .
H26 H 0.5148 0.9295 0.2656 0.035 Uiso 1 calc . . R
C31 C 0.8842(6) 0.8906(4) 0.2775(3) 0.0239(13) Uani 1 d . . .
C32 C 1.0254(6) 0.8601(5) 0.2830(3) 0.0266(13) Uani 1 d . . .
H32 H 1.0381 0.8088 0.2468 0.032 Uiso 1 calc . . R
C33 C 1.1461(7) 0.9041(5) 0.3407(4) 0.0378(16) Uani 1 d . . .
H33 H 1.2420 0.8842 0.3436 0.045 Uiso 1 calc . . R
C34 C 1.1265(7) 0.9769(5) 0.3938(4) 0.0389(16) Uani 1 d . . .
H34 H 1.2097 1.0074 0.4334 0.047 Uiso 1 calc . . R
C35 C 0.9867(8) 1.0065(5) 0.3906(4) 0.0421(17) Uani 1 d . . .
H35 H 0.9731 1.0551 0.4285 0.051 Uiso 1 calc . . R
C36 C 0.8684(7) 0.9650(5) 0.3323(3) 0.0309(14) Uani 1 d . . .
H36 H 0.7742 0.9873 0.3292 0.037 Uiso 1 calc . . R
C41 C 0.7309(6) 0.4966(4) 0.2002(3) 0.0216(12) Uani 1 d . . .
C42 C 0.6240(7) 0.4097(5) 0.1562(3) 0.0288(14) Uani 1 d . . .
H42 H 0.5225 0.3767 0.1715 0.035 Uiso 1 calc . . R
C43 C 0.6654(7) 0.3709(5) 0.0897(3) 0.0310(14) Uani 1 d . . .
H43 H 0.5911 0.3129 0.0597 0.037 Uiso 1 calc . . R
C44 C 0.8136(7) 0.4164(5) 0.0675(3) 0.0304(14) Uani 1 d . . .
H44 H 0.8414 0.3890 0.0227 0.036 Uiso 1 calc . . R
C45 C 0.9214(6) 0.5018(5) 0.1104(3) 0.0284(14) Uani 1 d . . .
H45 H 1.0242 0.5329 0.0959 0.034 Uiso 1 calc . . R
C46 C 0.8773(6) 0.5412(5) 0.1747(3) 0.0255(13) Uani 1 d . . .
H46 H 0.9505 0.6018 0.2029 0.031 Uiso 1 calc . . R
C51 C 0.8433(6) 0.6047(4) 0.3493(3) 0.0208(12) Uani 1 d . . .
C52 C 0.8523(6) 0.6879(5) 0.4026(3) 0.0255(13) Uani 1 d . . .
H52 H 0.7754 0.7273 0.3986 0.031 Uiso 1 calc . . R
C53 C 0.9762(7) 0.7127(5) 0.4621(3) 0.0322(14) Uani 1 d . . .
H53 H 0.9819 0.7685 0.4992 0.039 Uiso 1 calc . . R
C54 C 1.0894(7) 0.6580(5) 0.4679(3) 0.0361(16) Uani 1 d . . .
H54 H 1.1746 0.6766 0.5078 0.043 Uiso 1 calc . . R
C55 C 1.0771(7) 0.5748(5) 0.4141(3) 0.0346(15) Uani 1 d . . .
H55 H 1.1545 0.5357 0.4181 0.041 Uiso 1 calc . . R
C56 C 0.9570(6) 0.5478(5) 0.3560(3) 0.0312(14) Uani 1 d . . .
H56 H 0.9509 0.4904 0.3202 0.037 Uiso 1 calc . . R
C61 C 0.5539(6) 0.4486(5) 0.3306(3) 0.0229(12) Uani 1 d . . .
C62 C 0.4520(6) 0.4723(5) 0.3792(3) 0.0268(13) Uani 1 d . . .
H62 H 0.4328 0.5423 0.3788 0.032 Uiso 1 calc . . R
C63 C 0.3792(7) 0.3935(5) 0.4279(3) 0.0323(14) Uani 1 d . . .
H63 H 0.3115 0.4105 0.4611 0.039 Uiso 1 calc . . R
C64 C 0.4037(6) 0.2911(5) 0.4289(3) 0.0294(14) Uani 1 d . . .
H64 H 0.3539 0.2379 0.4628 0.035 Uiso 1 calc . . R
C65 C 0.5026(7) 0.2659(5) 0.3798(3) 0.0334(15) Uani 1 d . . .
H65 H 0.5179 0.1947 0.3793 0.040 Uiso 1 calc . . R
C66 C 0.5778(7) 0.3436(5) 0.3321(3) 0.0322(14) Uani 1 d . . .
H66 H 0.6468 0.3262 0.2999 0.039 Uiso 1 calc . . R
Cl1 Cl 0.1803(2) 0.21227(17) 0.19713(14) 0.0712(6) Uani 1 d A . .
Cl2 Cl -0.0934(4) 0.2494(3) 0.2434(2) 0.0924(10) Uani 0.80 d A 1 .
C10 C 0.0901(7) 0.2385(7) 0.2704(4) 0.098(4) Uani 1 d . . .
H10A H 0.1553 0.3080 0.2971 0.117 Uiso 1 calc A 1 R
H10B H 0.0830 0.1789 0.3069 0.117 Uiso 1 calc A 1 R
Cl2A Cl -0.0484(11) 0.2685(9) 0.3161(6) 0.069(3) Uiso 0.20 d A 2 .
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'
Cl Cl 0.1484 0.1585 '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'
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
P2 Ru1 P1 100.27(5) .
C1 Ru1 P1 86.49(15) .
C1 Ru1 P2 94.12(16) .
C1 Ru1 C5 93.9(2) .
C1 Ru1 C6 127.5(2) .
C1 Ru1 C7 152.0(2) .
C1 Ru1 C8 121.2(2) .
C1 Ru1 C9 90.7(2) .
C5 Ru1 P1 106.88(17) .
C5 Ru1 P2 152.08(17) .
C5 Ru1 C6 36.8(2) .
C5 Ru1 C7 61.7(2) .
C5 Ru1 C8 62.2(2) .
C6 Ru1 P1 92.40(15) .
C6 Ru1 P2 137.29(16) .
C6 Ru1 C7 36.6(2) .
C6 Ru1 C8 61.3(2) .
C7 Ru1 P1 112.64(16) .
C7 Ru1 P2 101.88(15) .
C8 Ru1 P1 149.44(16) .
C8 Ru1 P2 90.93(15) .
C8 Ru1 C7 36.8(2) .
C9 Ru1 P1 143.94(17) .
C9 Ru1 P2 115.79(17) .
C9 Ru1 C5 37.4(2) .
C9 Ru1 C6 61.5(2) .
C9 Ru1 C7 61.7(2) .
C9 Ru1 C8 37.2(2) .
C11 P1 Ru1 119.23(19) .
C11 P1 C21 102.0(2) .
C21 P1 Ru1 108.30(17) .
C31 P1 Ru1 119.65(17) .
C31 P1 C11 101.9(2) .
C31 P1 C21 103.5(2) .
C41 P2 Ru1 109.51(17) .
C41 P2 C51 104.8(2) .
C41 P2 C61 104.4(2) .
C51 P2 Ru1 125.78(18) .
C51 P2 C61 96.4(2) .
C61 P2 Ru1 113.59(18) .
C2 C1 Ru1 168.5(5) .
C1 C2 C3 170.3(6) .
C4 C3 C2 175.0(6) .
C3 C4 C4 179.8(8) 2_676
Ru1 C5 H5 122.8 .
C6 C5 Ru1 71.8(3) .
C6 C5 H5 126.6 .
C6 C5 C9 106.7(5) .
C9 C5 Ru1 70.5(3) .
C9 C5 H5 126.6 .
Ru1 C6 H6 122.2 .
C5 C6 Ru1 71.5(3) .
C5 C6 H6 125.2 .
C5 C6 C7 109.7(5) .
C7 C6 Ru1 72.8(3) .
C7 C6 H6 125.2 .
Ru1 C7 H7 123.9 .
C6 C7 Ru1 70.6(3) .
C6 C7 H7 126.4 .
C6 C7 C8 107.3(5) .
C8 C7 Ru1 70.7(3) .
C8 C7 H7 126.4 .
Ru1 C8 H8 122.8 .
C7 C8 Ru1 72.4(3) .
C7 C8 H8 126.1 .
C9 C8 Ru1 70.3(3) .
C9 C8 C7 107.7(5) .
C9 C8 H8 126.1 .
Ru1 C9 H9 121.4 .
C5 C9 Ru1 72.1(3) .
C5 C9 H9 125.7 .
C8 C9 Ru1 72.5(3) .
C8 C9 C5 108.6(5) .
C8 C9 H9 125.7 .
C12 C11 P1 120.7(4) .
C12 C11 C16 117.8(5) .
C16 C11 P1 121.4(4) .
C11 C12 H12 119.4 .
C11 C12 C13 121.3(5) .
C13 C12 H12 119.4 .
C12 C13 H13 119.8 .
C14 C13 C12 120.4(6) .
C14 C13 H13 119.8 .
C13 C14 H14 120.2 .
C13 C14 C15 119.6(6) .
C15 C14 H14 120.2 .
C14 C15 H15 119.9 .
C14 C15 C16 120.3(6) .
C16 C15 H15 119.9 .
C11 C16 H16 119.7 .
C15 C16 C11 120.6(6) .
C15 C16 H16 119.7 .
C22 C21 P1 123.1(4) .
C26 C21 P1 119.6(4) .
C26 C21 C22 117.1(5) .
C21 C22 H22 119.4 .
C23 C22 C21 121.2(6) .
C23 C22 H22 119.4 .
C22 C23 H23 120.0 .
C22 C23 C24 120.1(6) .
C24 C23 H23 120.0 .
C23 C24 H24 120.0 .
C25 C24 C23 119.9(6) .
C25 C24 H24 120.0 .
C24 C25 H25 120.0 .
C24 C25 C26 119.9(6) .
C26 C25 H25 120.0 .
C21 C26 H26 119.2 .
C25 C26 C21 121.7(5) .
C25 C26 H26 119.2 .
C32 C31 P1 119.0(4) .
C36 C31 P1 122.6(4) .
C36 C31 C32 118.3(5) .
C31 C32 H32 119.7 .
C33 C32 C31 120.6(6) .
C33 C32 H32 119.7 .
C32 C33 H33 120.2 .
C34 C33 C32 119.6(6) .
C34 C33 H33 120.2 .
C33 C34 H34 119.6 .
C33 C34 C35 120.9(6) .
C35 C34 H34 119.6 .
C34 C35 H35 120.2 .
C36 C35 C34 119.6(6) .
C36 C35 H35 120.2 .
C31 C36 H36 119.5 .
C35 C36 C31 120.9(6) .
C35 C36 H36 119.5 .
C42 C41 P2 121.0(4) .
C46 C41 P2 121.1(4) .
C46 C41 C42 117.0(5) .
C41 C42 H42 119.8 .
C43 C42 C41 120.5(5) .
C43 C42 H42 119.8 .
C42 C43 H43 119.8 .
C44 C43 C42 120.4(5) .
C44 C43 H43 119.8 .
C43 C44 H44 119.9 .
C43 C44 C45 120.1(5) .
C45 C44 H44 119.9 .
C44 C45 H45 120.6 .
C46 C45 C44 118.8(5) .
C46 C45 H45 120.6 .
C41 C46 H46 118.4 .
C45 C46 C41 123.1(5) .
C45 C46 H46 118.4 .
C52 C51 P2 118.1(4) .
C56 C51 P2 121.9(4) .
C56 C51 C52 119.7(5) .
C51 C52 H52 120.5 .
C51 C52 C53 119.0(5) .
C53 C52 H52 120.5 .
C52 C53 H53 119.4 .
C54 C53 C52 121.2(6) .
C54 C53 H53 119.4 .
C53 C54 H54 120.7 .
C53 C54 C55 118.6(5) .
C55 C54 H54 120.7 .
C54 C55 H55 119.2 .
C56 C55 C54 121.6(6) .
C56 C55 H55 119.2 .
C51 C56 H56 120.1 .
C55 C56 C51 119.8(6) .
C55 C56 H56 120.1 .
C62 C61 P2 117.4(4) .
C62 C61 C66 118.4(5) .
C66 C61 P2 123.8(4) .
C61 C62 H62 120.0 .
C63 C62 C61 120.1(5) .
C63 C62 H62 120.0 .
C62 C63 H63 119.5 .
C64 C63 C62 121.0(6) .
C64 C63 H63 119.5 .
C63 C64 H64 120.3 .
C63 C64 C65 119.4(5) .
C65 C64 H64 120.3 .
C64 C65 H65 119.8 .
C66 C65 C64 120.3(5) .
C66 C65 H65 119.8 .
C61 C66 H66 119.6 .
C65 C66 C61 120.8(6) .
C65 C66 H66 119.6 .
Cl1 C10 Cl2 113.1(5) .
Cl1 C10 H10A 109.0 .
Cl1 C10 H10B 109.0 .
Cl2 C10 H10A 109.0 .
Cl2 C10 H10B 109.0 .
H10A C10 H10B 107.8 .
Cl2A C10 Cl1 158.6(7) .
Cl2A C10 Cl2 45.7(4) .
Cl2A C10 H10A 81.0 .
Cl2A C10 H10B 84.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 P1 2.2975(15) .
Ru1 P2 2.2825(15) .
Ru1 C1 1.976(5) .
Ru1 C5 2.224(5) .
Ru1 C6 2.228(5) .
Ru1 C7 2.255(5) .
Ru1 C8 2.233(5) .
Ru1 C9 2.203(5) .
P1 C11 1.837(6) .
P1 C21 1.848(5) .
P1 C31 1.830(5) .
P2 C41 1.829(5) .
P2 C51 1.835(5) .
P2 C61 1.849(5) .
C1 C2 1.229(7) .
C2 C3 1.362(8) .
C3 C4 1.220(7) .
C4 C4 1.358(11) 2_676
C5 H5 0.9500 .
C5 C6 1.404(8) .
C5 C9 1.421(8) .
C6 H6 0.9500 .
C6 C7 1.408(8) .
C7 H7 0.9500 .
C7 C8 1.418(8) .
C8 H8 0.9500 .
C8 C9 1.414(8) .
C9 H9 0.9500 .
C11 C12 1.385(8) .
C11 C16 1.403(8) .
C12 H12 0.9500 .
C12 C13 1.388(8) .
C13 H13 0.9500 .
C13 C14 1.370(9) .
C14 H14 0.9500 .
C14 C15 1.385(9) .
C15 H15 0.9500 .
C15 C16 1.386(8) .
C16 H16 0.9500 .
C21 C22 1.401(7) .
C21 C26 1.395(7) .
C22 H22 0.9500 .
C22 C23 1.376(8) .
C23 H23 0.9500 .
C23 C24 1.385(9) .
C24 H24 0.9500 .
C24 C25 1.373(8) .
C25 H25 0.9500 .
C25 C26 1.379(8) .
C26 H26 0.9500 .
C31 C32 1.405(7) .
C31 C36 1.397(8) .
C32 H32 0.9500 .
C32 C33 1.381(7) .
C33 H33 0.9500 .
C33 C34 1.373(9) .
C34 H34 0.9500 .
C34 C35 1.389(9) .
C35 H35 0.9500 .
C35 C36 1.371(8) .
C36 H36 0.9500 .
C41 C42 1.398(7) .
C41 C46 1.389(7) .
C42 H42 0.9500 .
C42 C43 1.397(8) .
C43 H43 0.9500 .
C43 C44 1.380(8) .
C44 H44 0.9500 .
C44 C45 1.381(8) .
C45 H45 0.9500 .
C45 C46 1.380(7) .
C46 H46 0.9500 .
C51 C52 1.392(7) .
C51 C56 1.391(7) .
C52 H52 0.9500 .
C52 C53 1.398(7) .
C53 H53 0.9500 .
C53 C54 1.367(8) .
C54 H54 0.9500 .
C54 C55 1.391(8) .
C55 H55 0.9500 .
C55 C56 1.360(7) .
C56 H56 0.9500 .
C61 C62 1.406(7) .
C61 C66 1.407(8) .
C62 H62 0.9500 .
C62 C63 1.388(8) .
C63 H63 0.9500 .
C63 C64 1.376(8) .
C64 H64 0.9500 .
C64 C65 1.399(8) .
C65 H65 0.9500 .
C65 C66 1.374(8) .
C66 H66 0.9500 .
Cl1 C10 1.677(5) .
Cl2 C10 1.687(5) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C10 Cl2A 1.671(6) .
