#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:14:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180067 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/13/7051375.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_7051375
loop_
_publ_author_name
'Coalter, Joseph N.'
'Bollinger, John C.'
'Eisenstein, Odile'
'Caulton, Kenneth G.'
_publ_section_title
;
 R-Group reversal of isomer stability for RuH(X)L2(CCHR) vs.
 Ru(X)L2(CCH2R): access to four-coordinate ruthenium carbenes and
 carbynes
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              925
_journal_paper_doi               10.1039/b006971j
_journal_volume                  24
_journal_year                    2000
_chemical_formula_moiety         'C31 H52 O P2 Ru'
_chemical_formula_sum            'C31 H52 O P2 Ru'
_chemical_formula_weight         603.74
_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                93.353(8)
_cell_angle_beta                 92.003(8)
_cell_angle_gamma                97.681(11)
_cell_formula_units_Z            2
_cell_length_a                   8.884(3)
_cell_length_b                   11.352(4)
_cell_length_c                   16.041(6)
_cell_measurement_reflns_used    511
_cell_measurement_temperature    111(2)
_cell_measurement_theta_max      35.41
_cell_measurement_theta_min      2.85
_cell_volume                     1599.0(10)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction
'SAINT (Bruker, 1999), Gemini (Bruker 2000), XTEL (local package)'
_computing_molecular_graphics    'XTEL (local package)'
_computing_publication_material  'XTEL (local package)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      111(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details
'   0.30 degree frames measured for  10.13 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0970
_diffrn_reflns_av_sigmaI/netI    0.1510
_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       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            68114
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        -0.7
_diffrn_standards_interval_time  614
_diffrn_standards_number         94
_exptl_absorpt_coefficient_mu    0.611
_exptl_absorpt_correction_T_max  .983
_exptl_absorpt_correction_T_min  .907
_exptl_absorpt_correction_type   'numerical (Gaussian)'
_exptl_absorpt_process_details   'XPREP 5.10 (Bruker, 1997)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             640
_exptl_crystal_size_max          .16
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .03
_refine_diff_density_max         1.574
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.911
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         19002
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.911
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0553
_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
   [σ²(Fo²)+(0.0500Fo²)²]⁻¹
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_ref         0.1401
_reflns_number_gt                11132
_reflns_number_total             19002
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            b006971j.txt
_cod_data_source_block           00092
_cod_original_cell_volume        1598.9(10)
_cod_database_code               7051375
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 0.5000 0.5000 0.5000 0.01721(11) Uani 1 2 d S . .
P2 P 0.46707(11) 0.53894(8) 0.64508(6) 0.01570(19) Uani 1 1 d . . .
C3 C 0.6244(4) 0.6472(3) 0.6948(2) 0.0207(8) Uani 1 1 d . . .
H3A H 0.6072 0.6585 0.7559 0.025 Uiso 1 1 calc R . .
C4 C 0.6301(5) 0.7682(4) 0.6553(3) 0.0318(10) Uani 1 1 d . . .
H4A H 0.7160 0.8233 0.6807 0.048 Uiso 1 1 calc R . .
H4B H 0.5352 0.8010 0.6651 0.048 Uiso 1 1 calc R . .
H4C H 0.6429 0.7571 0.5950 0.048 Uiso 1 1 calc R . .
C5 C 0.7762(4) 0.5986(4) 0.6836(3) 0.0274(9) Uani 1 1 d . . .
H5A H 0.8587 0.6543 0.7118 0.041 Uiso 1 1 calc R . .
H5B H 0.7951 0.5894 0.6239 0.041 Uiso 1 1 calc R . .
H5C H 0.7718 0.5211 0.7079 0.041 Uiso 1 1 calc R . .
C6 C 0.4700(5) 0.4063(3) 0.7065(2) 0.0237(9) Uani 1 1 d . . .
H6A H 0.5609 0.3696 0.6885 0.028 Uiso 1 1 calc R . .
C7 C 0.4899(5) 0.4272(4) 0.8022(2) 0.0327(10) Uani 1 1 d . . .
H7A H 0.5070 0.3528 0.8267 0.049 Uiso 1 1 calc R . .
H7B H 0.3979 0.4540 0.8244 0.049 Uiso 1 1 calc R . .
H7C H 0.5773 0.4882 0.8165 0.049 Uiso 1 1 calc R . .
C8 C 0.3338(5) 0.3127(4) 0.6835(3) 0.0374(10) Uani 1 1 d . . .
H8A H 0.3571 0.2346 0.6986 0.056 Uiso 1 1 calc R . .
H8B H 0.3107 0.3105 0.6231 0.056 Uiso 1 1 calc R . .
H8C H 0.2457 0.3328 0.7137 0.056 Uiso 1 1 calc R . .
C9 C 0.2957(4) 0.6108(4) 0.6666(2) 0.0230(9) Uani 1 1 d . . .
H9A H 0.3095 0.6861 0.6367 0.028 Uiso 1 1 calc R . .
C10 C 0.2712(5) 0.6499(4) 0.7575(2) 0.0327(10) Uani 1 1 d . . .
H10A H 0.1874 0.6979 0.7594 0.049 Uiso 1 1 calc R . .
H10B H 0.3642 0.6974 0.7818 0.049 Uiso 1 1 calc R . .
H10C H 0.2462 0.5794 0.7894 0.049 Uiso 1 1 calc R . .
C11 C 0.1491(5) 0.5378(4) 0.6261(3) 0.0354(11) Uani 1 1 d . . .
H11A H 0.0726 0.5909 0.6169 0.053 Uiso 1 1 calc R . .
H11B H 0.1099 0.4765 0.6634 0.053 Uiso 1 1 calc R . .
H11C H 0.1721 0.4997 0.5725 0.053 Uiso 1 1 calc R . .
O12 O 0.6050(4) 0.3733(3) 0.52562(19) 0.0241(7) Uani 0.50 1 d P . .
C12 C 0.6050(4) 0.3733(3) 0.52562(19) 0.0241(7) Uani 0.50 1 d P . .
C13 C 0.6791(4) 0.2785(3) 0.5433(2) 0.0203(8) Uani 1 1 d . . .
C14 C 0.8374(5) 0.2903(4) 0.5513(2) 0.0281(9) Uani 1 1 d . . .
H14A H 0.8957 0.3657 0.5458 0.034 Uiso 1 1 calc R . .
C15 C 0.9103(6) 0.1922(5) 0.5673(3) 0.0413(12) Uani 1 1 d . . .
H15A H 1.0182 0.2006 0.5716 0.050 Uiso 1 1 calc R . .
C16 C 0.8260(6) 0.0824(4) 0.5768(3) 0.0437(13) Uani 1 1 d . . .
H16A H 0.8757 0.0153 0.5875 0.052 Uiso 1 1 calc R . .
C17 C 0.6702(6) 0.0710(4) 0.5707(2) 0.0328(10) Uani 1 1 d . . .
H17A H 0.6123 -0.0039 0.5784 0.039 Uiso 1 1 calc R . .
C18 C 0.5970(5) 0.1663(3) 0.5537(2) 0.0267(9) Uani 1 1 d . . .
H18A H 0.4891 0.1563 0.5488 0.032 Uiso 1 1 calc R . .
Ru19 Ru 0.0000 0.0000 0.0000 0.01816(11) Uani 1 2 d S . .
P20 P -0.06553(11) 0.18816(8) -0.03436(6) 0.0164(2) Uani 1 1 d . . .
C21 C 0.0862(5) 0.3112(3) -0.0010(3) 0.0247(9) Uani 1 1 d . . .
H21A H 0.0546 0.3870 -0.0198 0.030 Uiso 1 1 calc R . .
C22 C 0.2338(5) 0.2920(4) -0.0428(3) 0.0383(11) Uani 1 1 d . . .
H22A H 0.3105 0.3615 -0.0295 0.058 Uiso 1 1 calc R . .
H22B H 0.2148 0.2812 -0.1035 0.058 Uiso 1 1 calc R . .
H22C H 0.2706 0.2209 -0.0222 0.058 Uiso 1 1 calc R . .
C23 C 0.1104(5) 0.3235(4) 0.0942(3) 0.0352(11) Uani 1 1 d . . .
H23A H 0.1971 0.3847 0.1097 0.053 Uiso 1 1 calc R . .
H23B H 0.1307 0.2472 0.1146 0.053 Uiso 1 1 calc R . .
H23C H 0.0188 0.3465 0.1194 0.053 Uiso 1 1 calc R . .
C24 C -0.2323(4) 0.2296(3) 0.0205(2) 0.0183(8) Uani 1 1 d . . .
H24A H -0.2048 0.2272 0.0813 0.022 Uiso 1 1 calc R . .
C25 C -0.2721(5) 0.3553(3) 0.0106(3) 0.0274(9) Uani 1 1 d . . .
H25A H -0.3538 0.3699 0.0478 0.041 Uiso 1 1 calc R . .
H25B H -0.3058 0.3627 -0.0474 0.041 Uiso 1 1 calc R . .
H25C H -0.1822 0.4138 0.0252 0.041 Uiso 1 1 calc R . .
C26 C -0.3749(5) 0.1382(4) 0.0046(3) 0.0318(10) Uani 1 1 d . . .
H26A H -0.4497 0.1530 0.0460 0.048 Uiso 1 1 calc R . .
H26B H -0.3479 0.0578 0.0091 0.048 Uiso 1 1 calc R . .
H26C H -0.4184 0.1451 -0.0516 0.048 Uiso 1 1 calc R . .
C27 C -0.0911(5) 0.2030(4) -0.1487(2) 0.0289(10) Uani 1 1 d . . .
H27A H -0.0022 0.1708 -0.1737 0.035 Uiso 1 1 calc R . .
C28 C -0.2295(6) 0.1204(5) -0.1851(3) 0.0459(13) Uani 1 1 d . . .
H28A H -0.2213 0.1080 -0.2457 0.069 Uiso 1 1 calc R . .
H28B H -0.3217 0.1562 -0.1736 0.069 Uiso 1 1 calc R . .
H28C H -0.2349 0.0437 -0.1596 0.069 Uiso 1 1 calc R . .
C29 C -0.0852(6) 0.3302(4) -0.1800(3) 0.0421(13) Uani 1 1 d . . .
H29A H -0.0894 0.3257 -0.2412 0.063 Uiso 1 1 calc R . .
H29B H 0.0095 0.3787 -0.1590 0.063 Uiso 1 1 calc R . .
H29C H -0.1721 0.3665 -0.1595 0.063 Uiso 1 1 calc R . .
O30 O 0.0858(4) -0.0173(3) -0.10356(19) 0.0244(7) Uani 0.50 1 d P . .
C30 C 0.0858(4) -0.0173(3) -0.10356(19) 0.0244(7) Uani 0.50 1 d P . .
C31 C 0.1436(4) -0.0319(3) -0.1816(2) 0.0174(8) Uani 1 1 d . . .
C32 C 0.2972(5) 0.0047(3) -0.1944(3) 0.0270(9) Uani 1 1 d . . .
H32A H 0.3624 0.0397 -0.1488 0.032 Uiso 1 1 calc R . .
C33 C 0.3553(6) -0.0093(4) -0.2727(3) 0.0343(11) Uani 1 1 d . . .
H33A H 0.4597 0.0168 -0.2806 0.041 Uiso 1 1 calc R . .
C34 C 0.2627(6) -0.0610(4) -0.3397(3) 0.0361(11) Uani 1 1 d . . .
H34A H 0.3031 -0.0706 -0.3934 0.043 Uiso 1 1 calc R . .
C35 C 0.1095(6) -0.0992(4) -0.3278(3) 0.0339(11) Uani 1 1 d . . .
H35A H 0.0454 -0.1356 -0.3733 0.041 Uiso 1 1 calc R . .
C36 C 0.0503(5) -0.0838(3) -0.2490(2) 0.0264(9) Uani 1 1 d . . .
H36A H -0.0544 -0.1089 -0.2414 0.032 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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C12 Ru1 O12 0.0(3) 2_666 2_666 ?
C12 Ru1 O12 180.00(18) 2_666 . ?
O12 Ru1 O12 180.00(18) 2_666 . ?
C12 Ru1 P2 90.64(9) 2_666 . ?
O12 Ru1 P2 90.64(9) 2_666 . ?
O12 Ru1 P2 89.36(9) . . ?
C12 Ru1 P2 89.36(9) 2_666 2_666 ?
O12 Ru1 P2 89.36(9) 2_666 2_666 ?
O12 Ru1 P2 90.64(9) . 2_666 ?
P2 Ru1 P2 180.000(11) . 2_666 ?
C6 P2 C9 110.51(18) . . ?
C6 P2 C3 103.46(18) . . ?
C9 P2 C3 103.24(18) . . ?
C6 P2 Ru1 113.39(13) . . ?
C9 P2 Ru1 113.22(13) . . ?
C3 P2 Ru1 112.13(13) . . ?
C5 C3 C4 109.6(3) . . ?
C5 C3 P2 109.6(3) . . ?
C4 C3 P2 110.4(3) . . ?
C8 C6 C7 110.1(3) . . ?
C8 C6 P2 111.6(3) . . ?
C7 C6 P2 117.3(3) . . ?
C10 C9 C11 110.5(3) . . ?
C10 C9 P2 117.6(3) . . ?
C11 C9 P2 112.2(3) . . ?
C13 O12 Ru1 178.6(3) . . ?
O12 C13 C14 121.4(4) . . ?
O12 C13 C18 120.6(4) . . ?
C14 C13 C18 118.1(4) . . ?
C15 C14 C13 120.4(4) . . ?
C16 C15 C14 120.2(5) . . ?
C17 C16 C15 119.5(4) . . ?
C18 C17 C16 120.9(4) . . ?
C17 C18 C13 120.9(4) . . ?
C30 Ru19 O30 0.00(19) 2 2 ?
C30 Ru19 O30 180.00(19) 2 . ?
O30 Ru19 O30 180.00(19) 2 . ?
C30 Ru19 P20 90.02(10) 2 . ?
O30 Ru19 P20 90.02(10) 2 . ?
O30 Ru19 P20 89.98(10) . . ?
C30 Ru19 P20 89.98(10) 2 2 ?
O30 Ru19 P20 89.98(10) 2 2 ?
O30 Ru19 P20 90.02(10) . 2 ?
P20 Ru19 P20 180.00(5) . 2 ?
C21 P20 C24 103.15(18) . . ?
C21 P20 C27 103.56(19) . . ?
C24 P20 C27 110.36(18) . . ?
C21 P20 Ru19 111.95(14) . . ?
C24 P20 Ru19 113.27(12) . . ?
C27 P20 Ru19 113.63(13) . . ?
C22 C21 C23 110.8(4) . . ?
C22 C21 P20 110.0(3) . . ?
C23 C21 P20 111.4(3) . . ?
C26 C24 C25 109.9(3) . . ?
C26 C24 P20 113.4(3) . . ?
C25 C24 P20 117.2(3) . . ?
C28 C27 C29 111.9(4) . . ?
C28 C27 P20 111.0(3) . . ?
C29 C27 P20 117.9(3) . . ?
C31 O30 Ru19 177.7(3) . . ?
O30 C31 C36 120.6(4) . . ?
O30 C31 C32 120.6(4) . . ?
C36 C31 C32 118.8(3) . . ?
C33 C32 C31 120.7(4) . . ?
C34 C33 C32 120.6(4) . . ?
C33 C34 C35 119.4(4) . . ?
C34 C35 C36 120.1(4) . . ?
C31 C36 C35 120.4(4) . . ?
C5 C3 H3A 109.1 . . ?
C4 C3 H3A 109.1 . . ?
P2 C3 H3A 109.1 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C8 C6 H6A 105.6 . . ?
C7 C6 H6A 105.6 . . ?
P2 C6 H6A 105.6 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 H9A 105.1 . . ?
C11 C9 H9A 105.1 . . ?
P2 C9 H9A 105.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C16 C15 H15A 119.9 . . ?
C14 C15 H15A 119.9 . . ?
C17 C16 H16A 120.2 . . ?
C15 C16 H16A 120.2 . . ?
C18 C17 H17A 119.6 . . ?
C16 C17 H17A 119.6 . . ?
C17 C18 H18A 119.5 . . ?
C13 C18 H18A 119.5 . . ?
C22 C21 H21A 108.2 . . ?
C23 C21 H21A 108.2 . . ?
P20 C21 H21A 108.2 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 H24A 105.0 . . ?
C25 C24 H24A 105.0 . . ?
P20 C24 H24A 105.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 H27A 104.9 . . ?
C29 C27 H27A 104.9 . . ?
P20 C27 H27A 104.9 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C33 C32 H32A 119.6 . . ?
C31 C32 H32A 119.6 . . ?
C34 C33 H33A 119.7 . . ?
C32 C33 H33A 119.7 . . ?
C33 C34 H34A 120.3 . . ?
C35 C34 H34A 120.3 . . ?
C34 C35 H35A 119.9 . . ?
C36 C35 H35A 119.9 . . ?
C31 C36 H36A 119.8 . . ?
C35 C36 H36A 119.8 . . ?
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 C12 1.873(3) 2_666 ?
Ru1 O12 1.873(3) 2_666 ?
Ru1 O12 1.873(3) . ?
Ru1 P2 2.3788(13) . ?
Ru1 P2 2.3788(13) 2_666 ?
P2 C6 1.850(4) . ?
P2 C9 1.854(4) . ?
P2 C3 1.857(4) . ?
C3 C5 1.536(5) . ?
C3 C4 1.542(5) . ?
C6 C8 1.519(6) . ?
C6 C7 1.540(5) . ?
C9 C10 1.530(5) . ?
C9 C11 1.547(6) . ?
O12 C13 1.373(5) . ?
C13 C14 1.395(5) . ?
C13 C18 1.402(5) . ?
C14 C15 1.394(6) . ?
C15 C16 1.386(7) . ?
C16 C17 1.372(7) . ?
C17 C18 1.370(6) . ?
Ru19 C30 1.863(3) 2 ?
Ru19 O30 1.863(3) 2 ?
Ru19 O30 1.863(3) . ?
Ru19 P20 2.3775(12) . ?
Ru19 P20 2.3775(12) 2 ?
P20 C21 1.848(4) . ?
P20 C24 1.849(4) . ?
P20 C27 1.861(4) . ?
C21 C22 1.528(6) . ?
C21 C23 1.530(6) . ?
C24 C26 1.531(5) . ?
C24 C25 1.531(5) . ?
C27 C28 1.520(6) . ?
C27 C29 1.550(6) . ?
O30 C31 1.379(4) . ?
C31 C36 1.391(5) . ?
C31 C32 1.398(5) . ?
C32 C33 1.384(5) . ?
C33 C34 1.382(7) . ?
C34 C35 1.396(7) . ?
C35 C36 1.396(5) . ?
C3 H3A 1.0000 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 1.0000 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C21 H21A 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C32 H32A 0.9500 . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
