#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:05:23 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178548 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/55/4065527.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_4065527
loop_
_publ_author_name
'Oh, Suat Ping'
'Chor, Bo Yang'
'Fan, Wai Yip'
'Li, Yongxin'
'Leong, Weng Kee'
_publ_section_title
;
 Ru4(CO)8(μ-OOCAd)4(PPh3)2: Phosphine Derivative of an Electron-Deficient
 Linear Tetraruthenium Cluster
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6774
_journal_paper_doi               10.1021/om2009028
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C88 H90 O16 P2 Ru4'
_chemical_formula_weight         1869.82
_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                97.623(5)
_cell_angle_beta                 101.646(6)
_cell_angle_gamma                98.543(5)
_cell_formula_units_Z            1
_cell_length_a                   11.646(2)
_cell_length_b                   12.730(3)
_cell_length_c                   13.774(3)
_cell_measurement_reflns_used    9658
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      34.33
_cell_measurement_theta_min      2.43
_cell_volume                     1949.7(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26990
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  0.9660
_exptl_absorpt_correction_T_min  0.7802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.037
_refine_diff_density_min         -2.356
_refine_diff_density_rms         0.283
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.216
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         7959
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.214
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0309
_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)+(0.0724P)²+1.2809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1262
_reflns_number_gt                6709
_reflns_number_total             7959
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2009028_si_003.cif
_cod_data_source_block           sp3
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1949.6(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065527
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
Ru1 Ru 0.49504(2) 0.20529(2) 0.296173(19) 0.01682(10) Uani 1 1 d . . .
Ru2 Ru 0.51172(3) 0.05849(2) 0.41907(2) 0.02187(10) Uani 1 1 d . . .
P1 P 0.50882(8) 0.33184(7) 0.18315(7) 0.01878(19) Uani 1 1 d . . .
O11 O 0.3319(2) 0.3187(2) 0.3972(2) 0.0273(6) Uani 1 1 d . . .
O12 O 0.2927(3) 0.0630(2) 0.1437(2) 0.0315(6) Uani 1 1 d . . .
O21 O 0.2840(2) 0.0930(2) 0.4754(2) 0.0374(7) Uani 1 1 d . . .
O22 O 0.3788(6) -0.1205(3) 0.2568(3) 0.0938(19) Uani 1 1 d . . .
O31 O 0.6445(2) 0.2931(2) 0.40927(19) 0.0237(5) Uani 1 1 d . . .
O32 O 0.6153(2) 0.1880(2) 0.5231(2) 0.0315(7) Uani 1 1 d . . .
O42 O 0.6715(3) 0.0501(3) 0.3741(3) 0.0517(10) Uani 1 1 d . . .
O41 O 0.6253(2) 0.1316(2) 0.2412(2) 0.0271(6) Uani 1 1 d . . .
C11 C 0.3924(3) 0.2750(3) 0.3570(3) 0.0186(7) Uani 1 1 d . . .
C12 C 0.3695(4) 0.1178(3) 0.2021(3) 0.0228(8) Uani 1 1 d . . .
C21 C 0.3722(3) 0.0772(3) 0.4563(3) 0.0180(7) Uani 1 1 d . . .
C22 C 0.4295(6) -0.0531(3) 0.3213(3) 0.0473(14) Uani 1 1 d . . .
C3 C 0.6705(3) 0.2681(3) 0.4963(3) 0.0246(8) Uani 1 1 d . A .
C4 C 0.6933(4) 0.0841(3) 0.2967(3) 0.0319(9) Uani 1 1 d . . .
C30 C 0.7739(3) 0.3372(3) 0.5740(3) 0.0253(8) Uani 1 1 d . . .
C31 C 0.7360(5) 0.4363(5) 0.6104(4) 0.0302(14) Uani 0.658(5) 1 d PD A 1
H31A H 0.6656 0.4191 0.6393 0.036 Uiso 0.658(5) 1 calc PR A 1
H31B H 0.7136 0.4755 0.5541 0.036 Uiso 0.658(5) 1 calc PR A 1
C32 C 0.8381(7) 0.5056(7) 0.6901(5) 0.0346(17) Uani 0.658(5) 1 d PD A 1
H32A H 0.8135 0.5743 0.7149 0.041 Uiso 0.658(5) 1 calc PR A 1
C33 C 0.8701(10) 0.4450(10) 0.7782(8) 0.034(2) Uani 0.658(5) 1 d PD A 1
H33A H 0.9347 0.4912 0.8313 0.041 Uiso 0.658(5) 1 calc PR A 1
H33B H 0.7997 0.4281 0.8072 0.041 Uiso 0.658(5) 1 calc PR A 1
C34 C 0.9103(8) 0.3414(7) 0.7424(7) 0.0298(19) Uani 0.658(5) 1 d PD A 1
H34A H 0.9320 0.3028 0.8003 0.036 Uiso 0.658(5) 1 calc PR A 1
C35 C 0.8068(5) 0.2711(5) 0.6631(4) 0.0288(14) Uani 0.658(5) 1 d PD A 1
H35A H 0.7371 0.2533 0.6927 0.035 Uiso 0.658(5) 1 calc PR A 1
H35B H 0.8303 0.2030 0.6373 0.035 Uiso 0.658(5) 1 calc PR A 1
C36 C 0.8828(5) 0.3547(4) 0.5282(4) 0.0230(12) Uani 0.658(5) 1 d PD A 1
H36A H 0.9052 0.2846 0.5069 0.028 Uiso 0.658(5) 1 calc PR A 1
H36B H 0.8647 0.3900 0.4685 0.028 Uiso 0.658(5) 1 calc PR A 1
C37 C 0.9846(7) 0.4257(6) 0.6077(6) 0.0265(17) Uani 0.658(5) 1 d PD A 1
H37A H 1.0552 0.4423 0.5777 0.032 Uiso 0.658(5) 1 calc PR A 1
C38 C 1.0182(7) 0.3674(7) 0.6960(7) 0.0266(18) Uani 0.658(5) 1 d PD A 1
H38A H 1.0851 0.4135 0.7473 0.032 Uiso 0.658(5) 1 calc PR A 1
H38B H 1.0446 0.2999 0.6728 0.032 Uiso 0.658(5) 1 calc PR A 1
C39 C 0.9465(11) 0.5312(9) 0.6449(9) 0.028(3) Uani 0.658(5) 1 d PD A 1
H39A H 1.0128 0.5776 0.6964 0.034 Uiso 0.658(5) 1 calc PR A 1
H39B H 0.9262 0.5704 0.5882 0.034 Uiso 0.658(5) 1 calc PR A 1
C31A C 0.7317(8) 0.3866(8) 0.6702(7) 0.020(2) Uani 0.342(5) 1 d PD A 2
H31C H 0.6738 0.4337 0.6501 0.024 Uiso 0.342(5) 1 calc PR A 2
H31D H 0.6908 0.3274 0.6977 0.024 Uiso 0.342(5) 1 calc PR A 2
C32A C 0.8358(14) 0.4515(13) 0.7517(13) 0.026(4) Uani 0.342(5) 1 d PD A 2
H32B H 0.8075 0.4764 0.8132 0.031 Uiso 0.342(5) 1 calc PR A 2
C33A C 0.9256(14) 0.3788(11) 0.7755(11) 0.023(4) Uani 0.342(5) 1 d PD A 2
H33C H 0.8878 0.3155 0.7997 0.028 Uiso 0.342(5) 1 calc PR A 2
H33D H 0.9932 0.4184 0.8300 0.028 Uiso 0.342(5) 1 calc PR A 2
C34A C 0.9721(12) 0.3408(11) 0.6845(11) 0.022(3) Uani 0.342(5) 1 d PD A 2
H34B H 1.0323 0.2942 0.7030 0.027 Uiso 0.342(5) 1 calc PR A 2
C35A C 0.8681(8) 0.2767(7) 0.6004(7) 0.017(2) Uani 0.342(5) 1 d PD A 2
H35C H 0.8986 0.2554 0.5400 0.021 Uiso 0.342(5) 1 calc PR A 2
H35D H 0.8349 0.2100 0.6224 0.021 Uiso 0.342(5) 1 calc PR A 2
C36A C 0.8305(8) 0.4480(7) 0.5365(7) 0.018(2) Uani 0.342(5) 1 d PD A 2
H36C H 0.8555 0.4289 0.4729 0.022 Uiso 0.342(5) 1 calc PR A 2
H36D H 0.7695 0.4942 0.5245 0.022 Uiso 0.342(5) 1 calc PR A 2
C37A C 0.9373(18) 0.5084(16) 0.6177(13) 0.025(5) Uani 0.342(5) 1 d PD A 2
H37B H 0.9750 0.5725 0.5931 0.030 Uiso 0.342(5) 1 calc PR A 2
C38A C 1.0297(12) 0.4388(10) 0.6450(12) 0.027(3) Uani 0.342(5) 1 d PD A 2
H38C H 1.0980 0.4810 0.6973 0.032 Uiso 0.342(5) 1 calc PR A 2
H38D H 1.0595 0.4140 0.5851 0.032 Uiso 0.342(5) 1 calc PR A 2
C39A C 0.8927(12) 0.5477(9) 0.7124(9) 0.025(3) Uani 0.342(5) 1 d PD A 2
H39C H 0.9604 0.5902 0.7651 0.030 Uiso 0.342(5) 1 calc PR A 2
H39D H 0.8336 0.5947 0.6955 0.030 Uiso 0.342(5) 1 calc PR A 2
C40 C 0.8086(4) 0.0668(3) 0.2675(3) 0.0259(8) Uani 1 1 d . . .
C41 C 0.8898(4) 0.0230(3) 0.3494(3) 0.0285(9) Uani 1 1 d . . .
H41A H 0.9090 0.0744 0.4134 0.034 Uiso 1 1 calc R . .
H41B H 0.8481 -0.0465 0.3605 0.034 Uiso 1 1 calc R . .
C42 C 1.0045(4) 0.0069(3) 0.3164(3) 0.0311(9) Uani 1 1 d . . .
H42A H 1.0570 -0.0215 0.3697 0.037 Uiso 1 1 calc R . .
C43 C 0.9757(4) -0.0729(3) 0.2182(3) 0.0332(9) Uani 1 1 d . . .
H43A H 0.9351 -0.1434 0.2281 0.040 Uiso 1 1 calc R . .
H43B H 1.0505 -0.0835 0.1977 0.040 Uiso 1 1 calc R . .
C44 C 0.8946(4) -0.0302(3) 0.1352(3) 0.0310(9) Uani 1 1 d . . .
H44A H 0.8753 -0.0828 0.0710 0.037 Uiso 1 1 calc R . .
C45 C 0.7797(4) -0.0134(3) 0.1681(3) 0.0278(8) Uani 1 1 d . . .
H45A H 0.7364 -0.0832 0.1770 0.033 Uiso 1 1 calc R . .
H45B H 0.7275 0.0146 0.1152 0.033 Uiso 1 1 calc R . .
C46 C 0.8743(4) 0.1753(3) 0.2510(3) 0.0316(9) Uani 1 1 d . . .
H46A H 0.8227 0.2038 0.1982 0.038 Uiso 1 1 calc R . .
H46B H 0.8930 0.2283 0.3140 0.038 Uiso 1 1 calc R . .
C47 C 0.9889(4) 0.1584(3) 0.2194(3) 0.0349(10) Uani 1 1 d . . .
H47A H 1.0317 0.2288 0.2092 0.042 Uiso 1 1 calc R . .
C48 C 0.9599(4) 0.0777(3) 0.1205(3) 0.0334(9) Uani 1 1 d . . .
H48A H 0.9093 0.1060 0.0670 0.040 Uiso 1 1 calc R . .
H48B H 1.0345 0.0676 0.0996 0.040 Uiso 1 1 calc R . .
C49 C 1.0690(4) 0.1147(4) 0.3013(3) 0.0370(10) Uani 1 1 d . . .
H49A H 1.1443 0.1052 0.2813 0.044 Uiso 1 1 calc R . .
H49B H 1.0887 0.1666 0.3651 0.044 Uiso 1 1 calc R . .
C51 C 0.5449(3) 0.4751(3) 0.2354(3) 0.0237(8) Uani 1 1 d . . .
C52 C 0.4817(4) 0.5489(3) 0.1924(3) 0.0315(9) Uani 1 1 d . . .
H52A H 0.4180 0.5249 0.1348 0.038 Uiso 1 1 calc R . .
C53 C 0.5125(5) 0.6577(3) 0.2340(3) 0.0419(11) Uani 1 1 d . . .
H53A H 0.4692 0.7079 0.2052 0.050 Uiso 1 1 calc R . .
C54 C 0.6059(5) 0.6933(3) 0.3174(3) 0.0459(12) Uani 1 1 d . . .
H54A H 0.6271 0.7678 0.3453 0.055 Uiso 1 1 calc R . .
C55 C 0.6680(4) 0.6201(3) 0.3597(3) 0.0390(10) Uani 1 1 d . . .
H55A H 0.7324 0.6445 0.4165 0.047 Uiso 1 1 calc R . .
C56 C 0.6372(4) 0.5115(3) 0.3200(3) 0.0319(9) Uani 1 1 d . . .
H56A H 0.6793 0.4616 0.3507 0.038 Uiso 1 1 calc R . .
C61 C 0.6150(3) 0.3113(3) 0.1055(3) 0.0227(8) Uani 1 1 d . . .
C62 C 0.6002(4) 0.2102(3) 0.0458(3) 0.0300(9) Uani 1 1 d . . .
H62A H 0.5381 0.1542 0.0492 0.036 Uiso 1 1 calc R . .
C63 C 0.6750(5) 0.1910(3) -0.0178(3) 0.0388(11) Uani 1 1 d . . .
H63A H 0.6636 0.1224 -0.0586 0.047 Uiso 1 1 calc R . .
C64 C 0.7665(4) 0.2713(4) -0.0224(3) 0.0421(11) Uani 1 1 d . . .
H64A H 0.8180 0.2582 -0.0662 0.050 Uiso 1 1 calc R . .
C65 C 0.7824(4) 0.3700(4) 0.0365(3) 0.0414(11) Uani 1 1 d . . .
H65A H 0.8454 0.4252 0.0334 0.050 Uiso 1 1 calc R . .
C66 C 0.7074(4) 0.3908(3) 0.1010(3) 0.0314(9) Uani 1 1 d . . .
H66A H 0.7199 0.4596 0.1418 0.038 Uiso 1 1 calc R . .
C71 C 0.3706(3) 0.3226(3) 0.0898(3) 0.0228(8) Uani 1 1 d . . .
C72 C 0.2628(3) 0.3129(3) 0.1193(3) 0.0265(8) Uani 1 1 d . . .
H72A H 0.2613 0.3061 0.1869 0.032 Uiso 1 1 calc R . .
C73 C 0.1573(4) 0.3129(3) 0.0510(3) 0.0364(10) Uani 1 1 d . . .
H73A H 0.0841 0.3073 0.0719 0.044 Uiso 1 1 calc R . .
C74 C 0.1594(4) 0.3211(4) -0.0466(4) 0.0460(12) Uani 1 1 d . . .
H74A H 0.0875 0.3218 -0.0933 0.055 Uiso 1 1 calc R . .
C75 C 0.2647(4) 0.3282(4) -0.0776(3) 0.0422(11) Uani 1 1 d . . .
H75A H 0.2646 0.3321 -0.1460 0.051 Uiso 1 1 calc R . .
C76 C 0.3707(4) 0.3296(3) -0.0106(3) 0.0299(9) Uani 1 1 d . . .
H76A H 0.4433 0.3353 -0.0326 0.036 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'
O O 0.0106 0.0060 '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
C12 Ru1 C11 91.99(15) .
C12 Ru1 O41 93.61(14) .
C11 Ru1 O41 174.01(13) .
C12 Ru1 O31 174.70(12) .
C11 Ru1 O31 90.61(13) .
O41 Ru1 O31 83.64(11) .
C12 Ru1 P1 90.10(11) .
C11 Ru1 P1 92.58(10) .
O41 Ru1 P1 89.55(7) .
O31 Ru1 P1 94.41(7) .
C12 Ru1 Ru2 93.33(11) .
C11 Ru1 Ru2 95.14(10) .
O41 Ru1 Ru2 82.41(7) .
O31 Ru1 Ru2 81.82(7) .
P1 Ru1 Ru2 171.44(3) .
C22 Ru2 C21 89.7(2) .
C22 Ru2 O32 175.29(19) .
C21 Ru2 O32 94.36(13) .
C22 Ru2 O42 92.5(2) .
C21 Ru2 O42 175.28(13) .
O32 Ru2 O42 83.21(14) .
C22 Ru2 Ru1 93.86(12) .
C21 Ru2 Ru1 93.00(10) .
O32 Ru2 Ru1 83.65(7) .
O42 Ru2 Ru1 82.72(8) .
C22 Ru2 Ru2 94.21(13) 2_656
C21 Ru2 Ru2 71.55(10) 2_656
O32 Ru2 Ru2 89.28(7) 2_656
O42 Ru2 Ru2 112.37(8) 2_656
Ru1 Ru2 Ru2 162.510(18) 2_656
C61 P1 C51 104.89(17) .
C61 P1 C71 102.42(17) .
C51 P1 C71 102.30(16) .
C61 P1 Ru1 113.74(11) .
C51 P1 Ru1 118.36(12) .
C71 P1 Ru1 113.31(12) .
C3 O31 Ru1 122.1(2) .
C3 O32 Ru2 121.7(2) .
C4 O42 Ru2 122.8(3) .
C4 O41 Ru1 120.6(2) .
O11 C11 Ru1 177.8(3) .
O12 C12 Ru1 179.3(3) .
O21 C21 Ru2 175.9(3) .
O22 C22 Ru2 177.0(4) .
O32 C3 O31 124.2(3) .
O32 C3 C30 116.7(3) .
O31 C3 C30 119.1(3) .
O42 C4 O41 124.5(4) .
O42 C4 C40 118.1(3) .
O41 C4 C40 117.5(3) .
C35A C30 C31 140.1(5) .
C35A C30 C3 110.6(5) .
C31 C30 C3 108.0(4) .
C35A C30 C36 61.0(5) .
C31 C30 C36 114.2(4) .
C3 C30 C36 109.3(3) .
C35A C30 C31A 111.7(6) .
C31 C30 C31A 42.4(4) .
C3 C30 C31A 111.3(4) .
C36 C30 C31A 138.2(5) .
C35A C30 C35 47.4(5) .
C31 C30 C35 110.7(4) .
C3 C30 C35 107.7(3) .
C36 C30 C35 106.7(4) .
C31A C30 C35 69.8(5) .
C35A C30 C36A 108.5(5) .
C31 C30 C36A 63.5(5) .
C3 C30 C36A 113.2(4) .
C36 C30 C36A 52.6(4) .
C31A C30 C36A 101.2(5) .
C35 C30 C36A 138.5(5) .
C30 C31 C32 108.7(5) .
C31 C32 C39 109.6(7) .
C31 C32 C33 109.5(8) .
C39 C32 C33 109.6(8) .
C34 C33 C32 110.2(9) .
C33 C34 C35 107.9(7) .
C33 C34 C38 109.7(8) .
C35 C34 C38 109.7(7) .
C34 C35 C30 107.8(5) .
C37 C36 C30 108.0(5) .
C38 C37 C36 109.9(6) .
C38 C37 C39 109.3(8) .
C36 C37 C39 109.8(7) .
C37 C38 C34 109.7(7) .
C32 C39 C37 109.2(8) .
C32A C31A C30 112.0(10) .
C33A C32A C39A 109.4(13) .
C33A C32A C31A 107.5(12) .
C39A C32A C31A 109.3(12) .
C32A C33A C34A 111.8(14) .
C33A C34A C35A 109.6(11) .
C33A C34A C38A 109.8(12) .
C35A C34A C38A 108.1(11) .
C30 C35A C34A 112.8(8) .
C37A C36A C30 108.9(10) .
C38A C37A C36A 112.3(14) .
C38A C37A C39A 109.3(14) .
C36A C37A C39A 108.5(14) .
C37A C38A C34A 109.0(13) .
C32A C39A C37A 109.8(13) .
C4 C40 C41 111.5(3) .
C4 C40 C45 109.2(3) .
C41 C40 C45 109.4(3) .
C4 C40 C46 108.9(3) .
C41 C40 C46 109.3(3) .
C45 C40 C46 108.5(3) .
C42 C41 C40 109.4(3) .
C49 C42 C43 109.5(4) .
C49 C42 C41 109.3(3) .
C43 C42 C41 110.1(3) .
C42 C43 C44 109.9(3) .
C48 C44 C45 109.2(3) .
C48 C44 C43 108.6(4) .
C45 C44 C43 109.2(3) .
C44 C45 C40 110.3(3) .
C47 C46 C40 109.3(3) .
C46 C47 C49 109.8(3) .
C46 C47 C48 109.9(4) .
C49 C47 C48 109.3(3) .
C44 C48 C47 109.7(3) .
C42 C49 C47 109.5(4) .
C56 C51 C52 119.4(4) .
C56 C51 P1 119.2(3) .
C52 C51 P1 121.5(3) .
C53 C52 C51 119.7(4) .
C54 C53 C52 120.4(4) .
C55 C54 C53 119.6(4) .
C54 C55 C56 120.6(4) .
C55 C56 C51 120.2(4) .
C66 C61 C62 118.7(4) .
C66 C61 P1 123.3(3) .
C62 C61 P1 117.9(3) .
C63 C62 C61 120.6(4) .
C62 C63 C64 120.2(4) .
C65 C64 C63 119.6(4) .
C64 C65 C66 121.0(4) .
C61 C66 C65 119.9(4) .
C72 C71 C76 118.8(3) .
C72 C71 P1 119.6(3) .
C76 C71 P1 121.5(3) .
C73 C72 C71 120.6(4) .
C74 C73 C72 119.6(4) .
C73 C74 C75 120.5(4) .
C74 C75 C76 120.8(4) .
C75 C76 C71 119.6(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C12 1.851(4) .
Ru1 C11 1.855(4) .
Ru1 O41 2.110(2) .
Ru1 O31 2.138(3) .
Ru1 P1 2.3945(9) .
Ru1 Ru2 2.6851(5) .
Ru2 C22 1.821(5) .
Ru2 C21 1.838(4) .
Ru2 O32 2.076(3) .
Ru2 O42 2.089(3) .
Ru2 Ru2 2.8754(7) 2_656
P1 C61 1.816(4) .
P1 C51 1.822(4) .
P1 C71 1.824(4) .
O11 C11 1.141(4) .
O12 C12 1.144(5) .
O21 C21 1.149(5) .
O22 C22 1.144(6) .
O31 C3 1.269(4) .
O32 C3 1.261(4) .
O42 C4 1.260(5) .
O41 C4 1.264(4) .
C3 C30 1.512(5) .
C4 C40 1.515(5) .
C30 C35A 1.447(10) .
C30 C31 1.457(7) .
C30 C36 1.527(6) .
C30 C31A 1.589(10) .
C30 C35 1.593(6) .
C30 C36A 1.657(9) .
C31 C32 1.518(10) .
C32 C39 1.527(14) .
C32 C33 1.535(10) .
C33 C34 1.518(13) .
C34 C35 1.529(10) .
C34 C38 1.535(11) .
C36 C37 1.522(9) .
C37 C38 1.522(11) .
C37 C39 1.533(13) .
C31A C32A 1.522(16) .
C32A C33A 1.512(16) .
C32A C39A 1.519(18) .
C33A C34A 1.513(18) .
C34A C35A 1.537(14) .
C34A C38A 1.542(16) .
C36A C37A 1.522(17) .
C37A C38A 1.514(19) .
C37A C39A 1.549(19) .
C40 C41 1.540(5) .
C40 C45 1.540(6) .
C40 C46 1.544(5) .
C41 C42 1.528(5) .
C42 C49 1.524(6) .
C42 C43 1.525(6) .
C43 C44 1.542(5) .
C44 C48 1.526(6) .
C44 C45 1.531(5) .
C46 C47 1.521(6) .
C47 C49 1.532(6) .
C47 C48 1.538(6) .
C51 C56 1.390(6) .
C51 C52 1.397(5) .
C52 C53 1.391(6) .
C53 C54 1.385(7) .
C54 C55 1.380(7) .
C55 C56 1.382(6) .
C61 C66 1.381(6) .
C61 C62 1.399(5) .
C62 C63 1.379(6) .
C63 C64 1.380(7) .
C64 C65 1.368(7) .
C65 C66 1.393(6) .
C71 C72 1.389(5) .
C71 C76 1.397(5) .
C72 C73 1.389(5) .
C73 C74 1.367(6) .
C74 C75 1.372(7) .
C75 C76 1.380(6) .
