#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:30:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179064 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/26/4302623.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_4302623
loop_
_publ_author_name
'Prasenjit Ghosh'
'Paul J. Fagan'
'William J. Marshall'
'Elisabeth Hauptman'
'R. Morris Bullock'
_publ_section_title
;
Synthesis of Ruthenium Carbonyl Complexes with Phosphine or Substituted Cp
Ligands, and Their Activity in the Catalytic Deoxygenation of
1,2-Propanediol
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6490
_journal_page_last               6500
_journal_paper_doi               10.1021/ic900413y
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C19 H30 O2 Ru'
_chemical_formula_weight         391.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 127.4980(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.8773(12)
_cell_length_b                   16.1646(9)
_cell_length_c                   14.3727(9)
_cell_measurement_temperature    293(2)
_cell_volume                     3848.2(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.921
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker SMART APEX 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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0265
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11704
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.820
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_meas      hemisphere
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelpip
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.596
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         4416
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0324
_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)+(0.0386P)²+6.1585P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0816
_reflns_number_gt                3818
_reflns_number_total             4416
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900413y_si_002.cif
_cod_data_source_block           99207
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4302623
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.259981(10) 0.494275(10) 0.242894(15) 0.02671(7) Uani 1 1 d . A .
O1 O 0.16620(11) 0.59301(11) 0.01896(16) 0.0474(4) Uani 1 1 d . . .
C1 C 0.20229(14) 0.55561(14) 0.1044(2) 0.0339(5) Uani 1 1 d . . .
O2 O 0.41124(11) 0.59149(12) 0.33535(18) 0.0502(5) Uani 1 1 d . . .
C2 C 0.35397(14) 0.55398(14) 0.2991(2) 0.0357(5) Uani 1 1 d . . .
C11 C 0.17195(13) 0.39679(14) 0.21237(19) 0.0322(5) Uani 1 1 d . A .
C12 C 0.21707(15) 0.36248(13) 0.1756(2) 0.0354(5) Uani 1 1 d D . .
C13 C 0.29997(14) 0.35859(13) 0.2755(2) 0.0340(5) Uani 1 1 d . A .
C14 C 0.30625(13) 0.39060(13) 0.37525(18) 0.0296(4) Uani 1 1 d . . .
C15 C 0.22729(12) 0.41267(13) 0.33454(18) 0.0298(4) Uani 1 1 d . A .
H15A H 0.2127 0.4321 0.3840 0.036 Uiso 1 1 calc R . .
C16 C 0.08124(14) 0.40330(16) 0.1437(2) 0.0404(6) Uani 1 1 d . . .
H16A H 0.0567 0.4013 0.0600 0.048 Uiso 1 1 calc R A .
C17 C 0.05510(18) 0.48279(19) 0.1669(4) 0.0643(10) Uani 1 1 d . A .
H17A H 0.0733 0.5291 0.1468 0.096 Uiso 1 1 calc R . .
H17B H 0.0781 0.4858 0.2484 0.096 Uiso 1 1 calc R . .
H17C H -0.0027 0.4841 0.1202 0.096 Uiso 1 1 calc R . .
C18 C 0.05122(16) 0.32868(17) 0.1723(3) 0.0478(6) Uani 1 1 d . A .
H18A H 0.0659 0.2787 0.1533 0.072 Uiso 1 1 calc R . .
H18B H -0.0065 0.3314 0.1271 0.072 Uiso 1 1 calc R . .
H18C H 0.0753 0.3289 0.2543 0.072 Uiso 1 1 calc R . .
C19 C 0.1803(2) 0.32692(19) 0.0542(3) 0.0657(10) Uani 0.50 1 d PD A 1
H19A H 0.2308 0.3128 0.0670 0.079 Uiso 0.50 1 calc PR A 1
C20 C 0.1471(5) 0.3775(4) -0.0445(5) 0.0571(17) Uani 0.50 1 d PD A 1
H20A H 0.1720 0.4310 -0.0203 0.086 Uiso 0.50 1 calc PR A 1
H20B H 0.0901 0.3830 -0.0848 0.086 Uiso 0.50 1 calc PR A 1
H20C H 0.1564 0.3529 -0.0961 0.086 Uiso 0.50 1 calc PR A 1
C21 C 0.1522(13) 0.2409(7) 0.0492(15) 0.063(4) Uani 0.50 1 d PD A 1
H21A H 0.1285 0.2177 -0.0269 0.095 Uiso 0.50 1 calc PR A 1
H21B H 0.1126 0.2421 0.0631 0.095 Uiso 0.50 1 calc PR A 1
H21C H 0.1972 0.2076 0.1080 0.095 Uiso 0.50 1 calc PR A 1
C19' C 0.1803(2) 0.32692(19) 0.0542(3) 0.0657(10) Uani 0.50 1 d PD A 2
H19B H 0.1258 0.3489 0.0152 0.079 Uiso 0.50 1 calc PR A 2
C20' C 0.1968(4) 0.3691(4) -0.0175(4) 0.0433(13) Uani 0.50 1 d PD A 2
H20D H 0.1701 0.3409 -0.0912 0.065 Uiso 0.50 1 calc PR A 2
H20E H 0.2539 0.3697 0.0220 0.065 Uiso 0.50 1 calc PR A 2
H20F H 0.1772 0.4249 -0.0311 0.065 Uiso 0.50 1 calc PR A 2
C21' C 0.1584(13) 0.2385(6) 0.0401(13) 0.056(5) Uani 0.50 1 d PD A 2
H21D H 0.1357 0.2212 -0.0383 0.084 Uiso 0.50 1 calc PR A 2
H21E H 0.1195 0.2305 0.0543 0.084 Uiso 0.50 1 calc PR A 2
H21F H 0.2058 0.2063 0.0951 0.084 Uiso 0.50 1 calc PR A 2
C22 C 0.36584(17) 0.31790(16) 0.2762(3) 0.0458(6) Uani 1 1 d . . .
H22A H 0.3403 0.3046 0.1940 0.055 Uiso 1 1 calc R A .
C23 C 0.4362(2) 0.37102(19) 0.3143(4) 0.0652(9) Uani 1 1 d . A .
H23A H 0.4178 0.4192 0.2652 0.098 Uiso 1 1 calc R . .
H23B H 0.4728 0.3405 0.3079 0.098 Uiso 1 1 calc R . .
H23C H 0.4634 0.3876 0.3943 0.098 Uiso 1 1 calc R . .
C24 C 0.38981(17) 0.23447(15) 0.3391(2) 0.0445(6) Uani 1 1 d . A .
H24A H 0.4268 0.2070 0.3308 0.067 Uiso 1 1 calc R . .
H24B H 0.3425 0.2009 0.3053 0.067 Uiso 1 1 calc R . .
H24C H 0.4152 0.2431 0.4208 0.067 Uiso 1 1 calc R . .
C25 C 0.37804(14) 0.38948(16) 0.5033(2) 0.0383(5) Uani 1 1 d . A .
H25A H 0.4265 0.3780 0.5092 0.046 Uiso 1 1 calc R . .
C26 C 0.39014(17) 0.47161(19) 0.5643(2) 0.0504(7) Uani 1 1 d . . .
H26A H 0.3974 0.5149 0.5258 0.076 Uiso 1 1 calc R A .
H26B H 0.4370 0.4682 0.6448 0.076 Uiso 1 1 calc R . .
H26C H 0.3436 0.4834 0.5606 0.076 Uiso 1 1 calc R . .
C27 C 0.36767(17) 0.31975(17) 0.5651(2) 0.0479(6) Uani 1 1 d . . .
H27A H 0.3594 0.2684 0.5256 0.072 Uiso 1 1 calc R A .
H27B H 0.3218 0.3312 0.5633 0.072 Uiso 1 1 calc R . .
H27C H 0.4153 0.3159 0.6450 0.072 Uiso 1 1 calc R . .
H1 H 0.2430(19) 0.568(2) 0.288(3) 0.065(10) Uiso 1 1 d . . .
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'
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
C1 Ru1 C2 90.71(10) . . ?
C1 Ru1 C15 135.21(9) . . ?
C2 Ru1 C15 131.56(9) . . ?
C1 Ru1 C11 104.12(9) . . ?
C2 Ru1 C11 164.07(9) . . ?
C15 Ru1 C11 36.80(8) . . ?
C1 Ru1 C14 163.47(9) . . ?
C2 Ru1 C14 102.73(9) . . ?
C15 Ru1 C14 36.69(7) . . ?
C11 Ru1 C14 61.69(8) . . ?
C1 Ru1 C12 102.22(9) . . ?
C2 Ru1 C12 134.52(10) . . ?
C15 Ru1 C12 61.28(8) . . ?
C11 Ru1 C12 37.06(9) . . ?
C14 Ru1 C12 61.46(8) . . ?
C1 Ru1 C13 130.18(9) . . ?
C2 Ru1 C13 104.45(9) . . ?
C15 Ru1 C13 61.34(8) . . ?
C11 Ru1 C13 61.49(8) . . ?
C14 Ru1 C13 37.20(8) . . ?
C12 Ru1 C13 36.33(9) . . ?
C1 Ru1 H1 82.5(12) . . ?
C2 Ru1 H1 82.3(12) . . ?
C15 Ru1 H1 88.7(13) . . ?
C11 Ru1 H1 105.1(13) . . ?
C14 Ru1 H1 108.5(13) . . ?
C12 Ru1 H1 142.1(12) . . ?
C13 Ru1 H1 145.6(13) . . ?
O1 C1 Ru1 179.4(2) . . ?
O2 C2 Ru1 178.3(2) . . ?
C15 C11 C12 107.6(2) . . ?
C15 C11 C16 123.1(2) . . ?
C12 C11 C16 128.6(2) . . ?
C15 C11 Ru1 71.29(12) . . ?
C12 C11 Ru1 72.72(12) . . ?
C16 C11 Ru1 128.79(16) . . ?
C13 C12 C11 108.1(2) . . ?
C13 C12 C19 126.2(3) . . ?
C11 C12 C19 125.3(2) . . ?
C13 C12 Ru1 72.08(12) . . ?
C11 C12 Ru1 70.22(12) . . ?
C19 C12 Ru1 128.98(16) . . ?
C12 C13 C14 107.6(2) . . ?
C12 C13 C22 124.4(2) . . ?
C14 C13 C22 127.6(2) . . ?
C12 C13 Ru1 71.60(12) . . ?
C14 C13 Ru1 70.35(12) . . ?
C22 C13 Ru1 129.16(16) . . ?
C15 C14 C13 107.36(19) . . ?
C15 C14 C25 123.2(2) . . ?
C13 C14 C25 128.7(2) . . ?
C15 C14 Ru1 70.91(12) . . ?
C13 C14 Ru1 72.44(12) . . ?
C25 C14 Ru1 129.27(16) . . ?
C14 C15 C11 109.3(2) . . ?
C14 C15 Ru1 72.40(12) . . ?
C11 C15 Ru1 71.91(12) . . ?
C14 C15 H15A 125.3 . . ?
C11 C15 H15A 125.3 . . ?
Ru1 C15 H15A 125.3 . . ?
C17 C16 C11 113.0(2) . . ?
C17 C16 C18 110.5(3) . . ?
C11 C16 C18 109.0(2) . . ?
C17 C16 H16A 108.1 . . ?
C11 C16 H16A 108.1 . . ?
C18 C16 H16A 108.1 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C21 123.8(8) . . ?
C20 C19 C12 122.2(3) . . ?
C21 C19 C12 108.3(7) . . ?
C20 C19 H19A 98.0 . . ?
C21 C19 H19A 98.0 . . ?
C12 C19 H19A 98.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
H20D C20' H20E 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
H21D C21' H21E 109.5 . . ?
H21D C21' H21F 109.5 . . ?
H21E C21' H21F 109.5 . . ?
C23 C22 C13 116.1(2) . . ?
C23 C22 C24 113.4(2) . . ?
C13 C22 C24 110.8(2) . . ?
C23 C22 H22A 105.1 . . ?
C13 C22 H22A 105.1 . . ?
C24 C22 H22A 105.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C14 C25 C26 112.6(2) . . ?
C14 C25 C27 109.3(2) . . ?
C26 C25 C27 109.9(2) . . ?
C14 C25 H25A 108.3 . . ?
C26 C25 H25A 108.3 . . ?
C27 C25 H25A 108.3 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
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 C1 1.865(2) . ?
Ru1 C2 1.872(2) . ?
Ru1 C15 2.244(2) . ?
Ru1 C11 2.252(2) . ?
Ru1 C14 2.263(2) . ?
Ru1 C12 2.285(2) . ?
Ru1 C13 2.291(2) . ?
Ru1 H1 1.50(3) . ?
O1 C1 1.146(3) . ?
O2 C2 1.145(3) . ?
C11 C15 1.419(3) . ?
C11 C12 1.442(3) . ?
C11 C16 1.515(3) . ?
C12 C13 1.427(3) . ?
C12 C19 1.527(3) . ?
C13 C14 1.453(3) . ?
C13 C22 1.519(3) . ?
C14 C15 1.419(3) . ?
C14 C25 1.509(3) . ?
C15 H15A 0.9800 . ?
C16 C17 1.511(4) . ?
C16 C18 1.526(3) . ?
C16 H16A 0.9800 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.401(6) . ?
C19 C21 1.495(9) . ?
C19 H19A 0.9800 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C20' H20D 0.9600 . ?
C20' H20E 0.9600 . ?
C20' H20F 0.9600 . ?
C21' H21D 0.9600 . ?
C21' H21E 0.9600 . ?
C21' H21F 0.9600 . ?
C22 C23 1.489(4) . ?
C22 C24 1.528(3) . ?
C22 H22A 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.525(4) . ?
C25 C27 1.529(4) . ?
C25 H25A 0.9800 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 Ru1 C1 O1 -168(100) . . . . ?
C15 Ru1 C1 O1 -6(25) . . . . ?
C11 Ru1 C1 O1 17(25) . . . . ?
C14 Ru1 C1 O1 47(26) . . . . ?
C12 Ru1 C1 O1 55(25) . . . . ?
C13 Ru1 C1 O1 82(25) . . . . ?
C1 Ru1 C2 O2 108(8) . . . . ?
C15 Ru1 C2 O2 -56(8) . . . . ?
C11 Ru1 C2 O2 -94(8) . . . . ?
C14 Ru1 C2 O2 -82(8) . . . . ?
C12 Ru1 C2 O2 -144(8) . . . . ?
C13 Ru1 C2 O2 -120(8) . . . . ?
C1 Ru1 C11 C15 -152.30(14) . . . . ?
C2 Ru1 C11 C15 49.6(4) . . . . ?
C14 Ru1 C11 C15 36.82(13) . . . . ?
C12 Ru1 C11 C15 116.03(19) . . . . ?
C13 Ru1 C11 C15 79.35(14) . . . . ?
C1 Ru1 C11 C12 91.68(14) . . . . ?
C2 Ru1 C11 C12 -66.4(4) . . . . ?
C15 Ru1 C11 C12 -116.03(19) . . . . ?
C14 Ru1 C11 C12 -79.20(14) . . . . ?
C13 Ru1 C11 C12 -36.68(13) . . . . ?
C1 Ru1 C11 C16 -34.4(2) . . . . ?
C2 Ru1 C11 C16 167.6(3) . . . . ?
C15 Ru1 C11 C16 117.9(3) . . . . ?
C14 Ru1 C11 C16 154.7(2) . . . . ?
C12 Ru1 C11 C16 -126.0(3) . . . . ?
C13 Ru1 C11 C16 -162.7(2) . . . . ?
C15 C11 C12 C13 -0.7(2) . . . . ?
C16 C11 C12 C13 -171.3(2) . . . . ?
Ru1 C11 C12 C13 62.50(14) . . . . ?
C15 C11 C12 C19 172.4(2) . . . . ?
C16 C11 C12 C19 1.9(4) . . . . ?
Ru1 C11 C12 C19 -124.4(2) . . . . ?
C15 C11 C12 Ru1 -63.21(15) . . . . ?
C16 C11 C12 Ru1 126.2(2) . . . . ?
C1 Ru1 C12 C13 145.07(14) . . . . ?
C2 Ru1 C12 C13 41.72(19) . . . . ?
C15 Ru1 C12 C13 -79.76(14) . . . . ?
C11 Ru1 C12 C13 -117.62(19) . . . . ?
C14 Ru1 C12 C13 -37.73(13) . . . . ?
C1 Ru1 C12 C11 -97.31(14) . . . . ?
C2 Ru1 C12 C11 159.34(14) . . . . ?
C15 Ru1 C12 C11 37.87(12) . . . . ?
C14 Ru1 C12 C11 79.89(13) . . . . ?
C13 Ru1 C12 C11 117.62(19) . . . . ?
C1 Ru1 C12 C19 22.6(3) . . . . ?
C2 Ru1 C12 C19 -80.8(3) . . . . ?
C15 Ru1 C12 C19 157.8(3) . . . . ?
C11 Ru1 C12 C19 119.9(3) . . . . ?
C14 Ru1 C12 C19 -160.2(3) . . . . ?
C13 Ru1 C12 C19 -122.5(3) . . . . ?
C11 C12 C13 C14 0.2(2) . . . . ?
C19 C12 C13 C14 -172.9(2) . . . . ?
Ru1 C12 C13 C14 61.48(14) . . . . ?
C11 C12 C13 C22 173.3(2) . . . . ?
C19 C12 C13 C22 0.3(4) . . . . ?
Ru1 C12 C13 C22 -125.4(2) . . . . ?
C11 C12 C13 Ru1 -61.31(15) . . . . ?
C19 C12 C13 Ru1 125.6(2) . . . . ?
C1 Ru1 C13 C12 -47.10(18) . . . . ?
C2 Ru1 C13 C12 -150.66(14) . . . . ?
C15 Ru1 C13 C12 79.56(14) . . . . ?
C11 Ru1 C13 C12 37.42(13) . . . . ?
C14 Ru1 C13 C12 117.23(19) . . . . ?
C1 Ru1 C13 C14 -164.33(13) . . . . ?
C2 Ru1 C13 C14 92.11(14) . . . . ?
C15 Ru1 C13 C14 -37.68(12) . . . . ?
C11 Ru1 C13 C14 -79.81(13) . . . . ?
C12 Ru1 C13 C14 -117.23(19) . . . . ?
C1 Ru1 C13 C22 72.7(3) . . . . ?
C2 Ru1 C13 C22 -30.9(2) . . . . ?
C15 Ru1 C13 C22 -160.7(3) . . . . ?
C11 Ru1 C13 C22 157.2(3) . . . . ?
C14 Ru1 C13 C22 -123.0(3) . . . . ?
C12 Ru1 C13 C22 119.8(3) . . . . ?
C12 C13 C14 C15 0.4(2) . . . . ?
C22 C13 C14 C15 -172.4(2) . . . . ?
Ru1 C13 C14 C15 62.72(15) . . . . ?
C12 C13 C14 C25 171.0(2) . . . . ?
C22 C13 C14 C25 -1.8(4) . . . . ?
Ru1 C13 C14 C25 -126.7(2) . . . . ?
C12 C13 C14 Ru1 -62.28(14) . . . . ?
C22 C13 C14 Ru1 124.8(2) . . . . ?
C1 Ru1 C14 C15 -69.6(4) . . . . ?
C2 Ru1 C14 C15 146.64(14) . . . . ?
C11 Ru1 C14 C15 -36.93(13) . . . . ?
C12 Ru1 C14 C15 -79.30(14) . . . . ?
C13 Ru1 C14 C15 -116.14(18) . . . . ?
C1 Ru1 C14 C13 46.5(4) . . . . ?
C2 Ru1 C14 C13 -97.21(14) . . . . ?
C15 Ru1 C14 C13 116.14(18) . . . . ?
C11 Ru1 C14 C13 79.21(14) . . . . ?
C12 Ru1 C14 C13 36.84(13) . . . . ?
C1 Ru1 C14 C25 172.6(3) . . . . ?
C2 Ru1 C14 C25 28.9(2) . . . . ?
C15 Ru1 C14 C25 -117.8(3) . . . . ?
C11 Ru1 C14 C25 -154.7(2) . . . . ?
C12 Ru1 C14 C25 162.9(2) . . . . ?
C13 Ru1 C14 C25 126.1(3) . . . . ?
C13 C14 C15 C11 -0.9(2) . . . . ?
C25 C14 C15 C11 -172.1(2) . . . . ?
Ru1 C14 C15 C11 62.83(15) . . . . ?
C13 C14 C15 Ru1 -63.73(15) . . . . ?
C25 C14 C15 Ru1 125.0(2) . . . . ?
C12 C11 C15 C14 1.0(2) . . . . ?
C16 C11 C15 C14 172.2(2) . . . . ?
Ru1 C11 C15 C14 -63.15(15) . . . . ?
C12 C11 C15 Ru1 64.15(15) . . . . ?
C16 C11 C15 Ru1 -124.7(2) . . . . ?
C1 Ru1 C15 C14 157.76(14) . . . . ?
C2 Ru1 C15 C14 -45.79(18) . . . . ?
C11 Ru1 C15 C14 117.97(19) . . . . ?
C12 Ru1 C15 C14 79.84(14) . . . . ?
C13 Ru1 C15 C14 38.21(13) . . . . ?
C1 Ru1 C15 C11 39.78(19) . . . . ?
C2 Ru1 C15 C11 -163.77(15) . . . . ?
C14 Ru1 C15 C11 -117.97(19) . . . . ?
C12 Ru1 C15 C11 -38.14(14) . . . . ?
C13 Ru1 C15 C11 -79.77(15) . . . . ?
C15 C11 C16 C17 48.6(3) . . . . ?
C12 C11 C16 C17 -142.2(3) . . . . ?
Ru1 C11 C16 C17 -43.3(3) . . . . ?
C15 C11 C16 C18 -74.7(3) . . . . ?
C12 C11 C16 C18 94.5(3) . . . . ?
Ru1 C11 C16 C18 -166.58(18) . . . . ?
C13 C12 C19 C20 -114.2(5) . . . . ?
C11 C12 C19 C20 73.9(6) . . . . ?
Ru1 C12 C19 C20 -18.3(6) . . . . ?
C13 C12 C19 C21 91.7(10) . . . . ?
C11 C12 C19 C21 -80.2(10) . . . . ?
Ru1 C12 C19 C21 -172.5(9) . . . . ?
C12 C13 C22 C23 124.3(3) . . . . ?
C14 C13 C22 C23 -63.9(3) . . . . ?
Ru1 C13 C22 C23 30.6(4) . . . . ?
C12 C13 C22 C24 -104.5(3) . . . . ?
C14 C13 C22 C24 67.2(3) . . . . ?
Ru1 C13 C22 C24 161.82(18) . . . . ?
C15 C14 C25 C26 -54.5(3) . . . . ?
C13 C14 C25 C26 136.2(2) . . . . ?
Ru1 C14 C25 C26 37.3(3) . . . . ?
C15 C14 C25 C27 68.0(3) . . . . ?
C13 C14 C25 C27 -101.3(3) . . . . ?
Ru1 C14 C25 C27 159.76(17) . . . . ?
