#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:13:15 +0100 (vie 25 de mar de 2016) $
#$Revision: 179744 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/40/7004010.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_7004010
loop_
_publ_author_name
'Ogoshi, Sensuke'
'Kato, Tetsuya'
'Ohashi, Masato'
'Kurosawa, Hideo'
_publ_section_title
;
 Formation of acylruthenium promoted by coordination of AlMe3 to
 (η4-cyclopentadienone)Ru(CO)3
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              2232
_journal_page_last               2234
_journal_paper_doi               10.1039/b802019c
_journal_year                    2008
_chemical_formula_moiety         'C33 H24 O4 Ru'
_chemical_formula_sum            'C33 H24 O4 Ru'
_chemical_formula_weight         585.59
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 96.0640(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0377(5)
_cell_length_b                   10.4540(3)
_cell_length_c                   21.4279(8)
_cell_measurement_temperature    296(2)
_cell_volume                     2681.44(17)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'Ortep-3 (Louis J. Farrugia, 1999)'
_computing_publication_material  'SHELXL-97 and modified'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0791
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            10844
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_T_max  0.8858
_exptl_absorpt_correction_T_min  0.7892
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.365
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.839
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         5461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.839
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0364
_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)+(0.0252P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0608
_refine_ls_wR_factor_ref         0.0655
_reflns_number_gt                3397
_reflns_number_total             5461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802019c.txt
_cod_data_source_block           aa
_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      'P 21/n'
_cod_database_code               7004010
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.88918(2) 0.39240(3) 0.139201(11) 0.04259(8) Uani 1 1 d . . .
O1 O 0.7371(2) 0.4057(2) 0.25614(10) 0.0531(7) Uani 1 1 d . . .
H1 H 0.756(3) 0.467(3) 0.2417(17) 0.064 Uiso 1 1 d . . .
O2 O 0.7967(3) 0.6072(3) 0.20234(16) 0.1254(13) Uani 1 1 d . . .
O3 O 1.1228(3) 0.5009(3) 0.15245(15) 0.1116(12) Uani 1 1 d . . .
O4 O 0.8642(3) 0.4317(3) -0.00097(11) 0.1172(13) Uani 1 1 d . . .
C1 C 0.8317(4) 0.5760(4) 0.15362(19) 0.0750(13) Uani 1 1 d . . .
C2 C 0.8328(5) 0.6792(4) 0.1047(2) 0.129(2) Uani 1 1 d . . .
H2A H 0.7860 0.6543 0.0676 0.194 Uiso 1 1 calc R . .
H2B H 0.9079 0.6917 0.0945 0.194 Uiso 1 1 calc R . .
H2C H 0.8053 0.7575 0.1207 0.194 Uiso 1 1 calc R . .
C3 C 1.0333(4) 0.4614(4) 0.14721(16) 0.0695(11) Uani 1 1 d . . .
C4 C 0.8743(3) 0.4198(3) 0.05277(16) 0.0689(11) Uani 1 1 d . . .
C11 C 0.7871(3) 0.3258(3) 0.21761(12) 0.0390(7) Uani 1 1 d . . .
C12 C 0.8969(2) 0.2777(3) 0.22985(11) 0.0371(7) Uani 1 1 d . . .
C13 C 0.9155(2) 0.1898(3) 0.18004(11) 0.0333(7) Uani 1 1 d . . .
C14 C 0.8169(2) 0.1910(3) 0.13606(11) 0.0341(7) Uani 1 1 d . . .
C15 C 0.7368(2) 0.2784(3) 0.15832(12) 0.0380(7) Uani 1 1 d . . .
C21 C 0.9686(2) 0.2961(3) 0.29037(12) 0.0372(7) Uani 1 1 d . . .
C22 C 0.9935(2) 0.4172(3) 0.31423(12) 0.0410(8) Uani 1 1 d . . .
H22 H 0.9693 0.4893 0.2912 0.049 Uiso 1 1 calc R . .
C23 C 1.0546(3) 0.4307(3) 0.37263(13) 0.0472(8) Uani 1 1 d . . .
H23 H 1.0695 0.5120 0.3890 0.057 Uiso 1 1 calc R . .
C24 C 1.0929(3) 0.3258(4) 0.40616(13) 0.0544(9) Uani 1 1 d . . .
H24 H 1.1350 0.3356 0.4448 0.065 Uiso 1 1 calc R . .
C25 C 1.0691(3) 0.2061(3) 0.38261(13) 0.0587(10) Uani 1 1 d . . .
H25 H 1.0953 0.1345 0.4054 0.070 Uiso 1 1 calc R . .
C26 C 1.0062(3) 0.1905(3) 0.32507(13) 0.0527(9) Uani 1 1 d . . .
H26 H 0.9893 0.1088 0.3098 0.063 Uiso 1 1 calc R . .
C31 C 1.0119(2) 0.1022(3) 0.18004(11) 0.0377(7) Uani 1 1 d . . .
C32 C 0.9933(3) -0.0278(3) 0.17443(13) 0.0467(8) Uani 1 1 d . . .
H32 H 0.9206 -0.0583 0.1670 0.056 Uiso 1 1 calc R . .
C33 C 1.0821(3) -0.1139(4) 0.17966(14) 0.0572(9) Uani 1 1 d . . .
H33 H 1.0683 -0.2011 0.1756 0.069 Uiso 1 1 calc R . .
C34 C 1.1895(3) -0.0706(4) 0.19079(15) 0.0626(11) Uani 1 1 d . . .
H34 H 1.2489 -0.1279 0.1945 0.075 Uiso 1 1 calc R . .
C35 C 1.2086(3) 0.0580(4) 0.19644(15) 0.0615(10) Uani 1 1 d . . .
H35 H 1.2815 0.0882 0.2039 0.074 Uiso 1 1 calc R . .
C36 C 1.1210(3) 0.1433(3) 0.19118(14) 0.0509(9) Uani 1 1 d . . .
H36 H 1.1357 0.2304 0.1952 0.061 Uiso 1 1 calc R . .
C41 C 0.7973(2) 0.1051(3) 0.08045(11) 0.0347(6) Uani 1 1 d . . .
C42 C 0.7062(3) 0.0246(3) 0.07650(12) 0.0438(8) Uani 1 1 d . . .
H42 H 0.6565 0.0288 0.1069 0.053 Uiso 1 1 calc R . .
C43 C 0.6877(3) -0.0624(3) 0.02772(14) 0.0534(9) Uani 1 1 d . . .
H43 H 0.6264 -0.1170 0.0256 0.064 Uiso 1 1 calc R . .
C44 C 0.7604(3) -0.0678(3) -0.01754(13) 0.0535(9) Uani 1 1 d . . .
H44 H 0.7483 -0.1263 -0.0502 0.064 Uiso 1 1 calc R . .
C45 C 0.8505(3) 0.0126(3) -0.01469(13) 0.0513(9) Uani 1 1 d . . .
H45 H 0.8991 0.0091 -0.0456 0.062 Uiso 1 1 calc R . .
C46 C 0.8694(2) 0.0991(3) 0.03422(11) 0.0451(7) Uani 1 1 d . . .
H46 H 0.9309 0.1534 0.0361 0.054 Uiso 1 1 calc R . .
C51 C 0.6199(2) 0.3025(3) 0.13221(12) 0.0400(7) Uani 1 1 d . . .
C52 C 0.5357(3) 0.3029(3) 0.17202(14) 0.0480(8) Uani 1 1 d . . .
H52 H 0.5534 0.2859 0.2145 0.058 Uiso 1 1 calc R . .
C53 C 0.4260(3) 0.3282(3) 0.14931(16) 0.0595(9) Uani 1 1 d . . .
H53 H 0.3710 0.3303 0.1767 0.071 Uiso 1 1 calc R . .
C54 C 0.3978(3) 0.3504(3) 0.08632(17) 0.0592(10) Uani 1 1 d . . .
H54 H 0.3240 0.3665 0.0710 0.071 Uiso 1 1 calc R . .
C55 C 0.4795(3) 0.3485(3) 0.04612(15) 0.0581(10) Uani 1 1 d . . .
H55 H 0.4609 0.3634 0.0035 0.070 Uiso 1 1 calc R . .
C56 C 0.5892(3) 0.3246(3) 0.06888(13) 0.0532(9) Uani 1 1 d . . .
H56 H 0.6437 0.3232 0.0412 0.064 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'
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
C4 Ru1 C3 91.31(16) . . ?
C4 Ru1 C1 90.43(16) . . ?
C3 Ru1 C1 87.18(18) . . ?
C4 Ru1 C15 105.45(13) . . ?
C3 Ru1 C15 161.67(12) . . ?
C1 Ru1 C15 99.84(15) . . ?
C4 Ru1 C12 156.89(13) . . ?
C3 Ru1 C12 99.85(13) . . ?
C1 Ru1 C12 110.15(14) . . ?
C15 Ru1 C12 61.85(10) . . ?
C4 Ru1 C14 96.68(12) . . ?
C3 Ru1 C14 135.01(14) . . ?
C1 Ru1 C14 136.68(14) . . ?
C15 Ru1 C14 37.14(9) . . ?
C12 Ru1 C14 61.25(9) . . ?
C4 Ru1 C11 140.56(14) . . ?
C3 Ru1 C11 127.88(13) . . ?
C1 Ru1 C11 87.62(15) . . ?
C15 Ru1 C11 36.77(9) . . ?
C12 Ru1 C11 36.02(10) . . ?
C14 Ru1 C11 60.53(10) . . ?
C4 Ru1 C13 120.94(13) . . ?
C3 Ru1 C13 103.35(13) . . ?
C1 Ru1 C13 146.07(14) . . ?
C15 Ru1 C13 61.80(10) . . ?
C12 Ru1 C13 36.77(9) . . ?
C14 Ru1 C13 36.55(9) . . ?
C11 Ru1 C13 60.31(10) . . ?
C11 O1 H1 96(3) . . ?
O2 C1 C2 115.9(4) . . ?
O2 C1 Ru1 122.0(3) . . ?
C2 C1 Ru1 122.1(3) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 Ru1 178.4(4) . . ?
O4 C4 Ru1 177.3(3) . . ?
O1 C11 C12 124.9(2) . . ?
O1 C11 C15 125.3(3) . . ?
C12 C11 C15 109.8(2) . . ?
O1 C11 Ru1 124.4(2) . . ?
C12 C11 Ru1 71.36(16) . . ?
C15 C11 Ru1 70.42(16) . . ?
C11 C12 C13 107.7(2) . . ?
C11 C12 C21 124.0(2) . . ?
C13 C12 C21 127.1(3) . . ?
C11 C12 Ru1 72.62(16) . . ?
C13 C12 Ru1 72.56(14) . . ?
C21 C12 Ru1 129.9(2) . . ?
C14 C13 C12 107.3(2) . . ?
C14 C13 C31 126.9(2) . . ?
C12 C13 C31 125.3(2) . . ?
C14 C13 Ru1 70.79(16) . . ?
C12 C13 Ru1 70.67(15) . . ?
C31 C13 Ru1 130.3(2) . . ?
C13 C14 C15 108.8(2) . . ?
C13 C14 C41 124.7(2) . . ?
C15 C14 C41 126.1(2) . . ?
C13 C14 Ru1 72.66(16) . . ?
C15 C14 Ru1 70.85(16) . . ?
C41 C14 Ru1 127.50(18) . . ?
C11 C15 C14 106.1(2) . . ?
C11 C15 C51 124.8(3) . . ?
C14 C15 C51 128.6(2) . . ?
C11 C15 Ru1 72.80(17) . . ?
C14 C15 Ru1 72.01(16) . . ?
C51 C15 Ru1 126.8(2) . . ?
C26 C21 C22 119.1(2) . . ?
C26 C21 C12 119.5(3) . . ?
C22 C21 C12 121.4(3) . . ?
C21 C22 C23 119.8(3) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 C25 119.7(3) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C24 C25 C26 120.6(3) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C21 C26 C25 120.2(3) . . ?
C21 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C36 C31 C32 117.7(3) . . ?
C36 C31 C13 122.7(3) . . ?
C32 C31 C13 119.3(3) . . ?
C31 C32 C33 120.9(3) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
C34 C33 C32 120.3(4) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 119.2(4) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
C34 C35 C36 120.6(4) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C35 C36 C31 121.3(3) . . ?
C35 C36 H36 119.3 . . ?
C31 C36 H36 119.3 . . ?
C42 C41 C46 118.9(3) . . ?
C42 C41 C14 118.4(2) . . ?
C46 C41 C14 122.7(3) . . ?
C41 C42 C43 120.7(3) . . ?
C41 C42 H42 119.7 . . ?
C43 C42 H42 119.7 . . ?
C44 C43 C42 119.7(3) . . ?
C44 C43 H43 120.1 . . ?
C42 C43 H43 120.1 . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 120.1(3) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C45 C46 C41 120.3(3) . . ?
C45 C46 H46 119.8 . . ?
C41 C46 H46 119.8 . . ?
C56 C51 C52 117.6(3) . . ?
C56 C51 C15 122.8(3) . . ?
C52 C51 C15 119.6(3) . . ?
C53 C52 C51 121.0(3) . . ?
C53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
C54 C53 C52 120.3(3) . . ?
C54 C53 H53 119.9 . . ?
C52 C53 H53 119.9 . . ?
C55 C54 C53 119.6(3) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C54 C55 C56 120.1(3) . . ?
C54 C55 H55 119.9 . . ?
C56 C55 H55 119.9 . . ?
C55 C56 C51 121.4(3) . . ?
C55 C56 H56 119.3 . . ?
C51 C56 H56 119.3 . . ?
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 C4 1.864(3) . ?
Ru1 C3 1.870(4) . ?
Ru1 C1 2.074(4) . ?
Ru1 C15 2.261(3) . ?
Ru1 C12 2.276(3) . ?
Ru1 C14 2.276(3) . ?
Ru1 C11 2.292(3) . ?
Ru1 C13 2.301(3) . ?
O1 C11 1.359(3) . ?
O1 H1 0.75(3) . ?
O2 C1 1.211(4) . ?
O3 C3 1.148(4) . ?
O4 C4 1.152(3) . ?
C1 C2 1.506(5) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C11 C12 1.413(4) . ?
C11 C15 1.437(3) . ?
C12 C13 1.444(3) . ?
C12 C21 1.493(3) . ?
C13 C14 1.435(3) . ?
C13 C31 1.479(4) . ?
C14 C15 1.445(4) . ?
C14 C41 1.491(3) . ?
C15 C51 1.480(4) . ?
C21 C26 1.380(4) . ?
C21 C22 1.386(4) . ?
C22 C23 1.390(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.364(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.368(4) . ?
C24 H24 0.9300 . ?
C25 C26 1.387(4) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 C36 1.378(4) . ?
C31 C32 1.380(4) . ?
C32 C33 1.392(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.366(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.367(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.376(4) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C41 C42 1.377(4) . ?
C41 C46 1.386(4) . ?
C42 C43 1.386(4) . ?
C42 H42 0.9300 . ?
C43 C44 1.374(4) . ?
C43 H43 0.9300 . ?
C44 C45 1.368(4) . ?
C44 H44 0.9300 . ?
C45 C46 1.385(4) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C51 C56 1.388(4) . ?
C51 C52 1.392(4) . ?
C52 C53 1.384(4) . ?
C52 H52 0.9300 . ?
C53 C54 1.376(4) . ?
C53 H53 0.9300 . ?
C54 C55 1.374(4) . ?
C54 H54 0.9300 . ?
C55 C56 1.381(4) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
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
C4 Ru1 C1 O2 161.8(4) . . . . ?
C3 Ru1 C1 O2 -106.9(4) . . . . ?
C15 Ru1 C1 O2 56.0(4) . . . . ?
C12 Ru1 C1 O2 -7.5(4) . . . . ?
C14 Ru1 C1 O2 61.6(4) . . . . ?
C11 Ru1 C1 O2 21.2(4) . . . . ?
C13 Ru1 C1 O2 3.0(5) . . . . ?
C4 Ru1 C1 C2 -19.4(4) . . . . ?
C3 Ru1 C1 C2 71.9(4) . . . . ?
C15 Ru1 C1 C2 -125.2(3) . . . . ?
C12 Ru1 C1 C2 171.3(3) . . . . ?
C14 Ru1 C1 C2 -119.6(4) . . . . ?
C11 Ru1 C1 C2 -160.0(3) . . . . ?
C13 Ru1 C1 C2 -178.2(3) . . . . ?
C4 Ru1 C11 O1 -97.8(3) . . . . ?
C3 Ru1 C11 O1 74.6(3) . . . . ?
C1 Ru1 C11 O1 -10.0(2) . . . . ?
C15 Ru1 C11 O1 -120.0(3) . . . . ?
C12 Ru1 C11 O1 120.0(3) . . . . ?
C14 Ru1 C11 O1 -159.3(3) . . . . ?
C13 Ru1 C11 O1 158.4(3) . . . . ?
C4 Ru1 C11 C12 142.2(2) . . . . ?
C3 Ru1 C11 C12 -45.5(3) . . . . ?
C1 Ru1 C11 C12 -130.03(19) . . . . ?
C15 Ru1 C11 C12 120.0(2) . . . . ?
C14 Ru1 C11 C12 80.67(18) . . . . ?
C13 Ru1 C11 C12 38.40(16) . . . . ?
C4 Ru1 C11 C15 22.2(3) . . . . ?
C3 Ru1 C11 C15 -165.5(2) . . . . ?
C1 Ru1 C11 C15 109.95(18) . . . . ?
C12 Ru1 C11 C15 -120.0(2) . . . . ?
C14 Ru1 C11 C15 -39.35(16) . . . . ?
C13 Ru1 C11 C15 -81.61(17) . . . . ?
O1 C11 C12 C13 176.0(3) . . . . ?
C15 C11 C12 C13 -4.4(3) . . . . ?
Ru1 C11 C12 C13 -64.53(19) . . . . ?
O1 C11 C12 C21 7.4(5) . . . . ?
C15 C11 C12 C21 -173.0(3) . . . . ?
Ru1 C11 C12 C21 126.8(3) . . . . ?
O1 C11 C12 Ru1 -119.4(3) . . . . ?
C15 C11 C12 Ru1 60.2(2) . . . . ?
C4 Ru1 C12 C11 -97.1(4) . . . . ?
C3 Ru1 C12 C11 145.2(2) . . . . ?
C1 Ru1 C12 C11 54.6(2) . . . . ?
C15 Ru1 C12 C11 -36.01(16) . . . . ?
C14 Ru1 C12 C11 -78.48(18) . . . . ?
C13 Ru1 C12 C11 -115.7(2) . . . . ?
C4 Ru1 C12 C13 18.6(4) . . . . ?
C3 Ru1 C12 C13 -99.2(2) . . . . ?
C1 Ru1 C12 C13 170.24(18) . . . . ?
C15 Ru1 C12 C13 79.66(17) . . . . ?
C14 Ru1 C12 C13 37.19(16) . . . . ?
C11 Ru1 C12 C13 115.7(2) . . . . ?
C4 Ru1 C12 C21 142.8(4) . . . . ?
C3 Ru1 C12 C21 25.0(3) . . . . ?
C1 Ru1 C12 C21 -65.6(3) . . . . ?
C15 Ru1 C12 C21 -156.2(3) . . . . ?
C14 Ru1 C12 C21 161.4(3) . . . . ?
C11 Ru1 C12 C21 -120.2(3) . . . . ?
C13 Ru1 C12 C21 124.2(3) . . . . ?
C11 C12 C13 C14 2.9(3) . . . . ?
C21 C12 C13 C14 171.1(3) . . . . ?
Ru1 C12 C13 C14 -61.67(19) . . . . ?
C11 C12 C13 C31 -169.2(3) . . . . ?
C21 C12 C13 C31 -1.0(5) . . . . ?
Ru1 C12 C13 C31 126.2(3) . . . . ?
C11 C12 C13 Ru1 64.6(2) . . . . ?
C21 C12 C13 Ru1 -127.2(3) . . . . ?
C4 Ru1 C13 C14 -54.5(2) . . . . ?
C3 Ru1 C13 C14 -154.24(19) . . . . ?
C1 Ru1 C13 C14 100.6(2) . . . . ?
C15 Ru1 C13 C14 37.30(15) . . . . ?
C12 Ru1 C13 C14 117.1(2) . . . . ?
C11 Ru1 C13 C14 79.52(17) . . . . ?
C4 Ru1 C13 C12 -171.6(2) . . . . ?
C3 Ru1 C13 C12 88.6(2) . . . . ?
C1 Ru1 C13 C12 -16.6(3) . . . . ?
C15 Ru1 C13 C12 -79.83(17) . . . . ?
C14 Ru1 C13 C12 -117.1(2) . . . . ?
C11 Ru1 C13 C12 -37.61(16) . . . . ?
C4 Ru1 C13 C31 68.1(3) . . . . ?
C3 Ru1 C13 C31 -31.7(3) . . . . ?
C1 Ru1 C13 C31 -136.9(3) . . . . ?
C15 Ru1 C13 C31 159.8(3) . . . . ?
C12 Ru1 C13 C31 -120.3(3) . . . . ?
C14 Ru1 C13 C31 122.5(3) . . . . ?
C11 Ru1 C13 C31 -157.9(3) . . . . ?
C12 C13 C14 C15 -0.4(3) . . . . ?
C31 C13 C14 C15 171.5(3) . . . . ?
Ru1 C13 C14 C15 -62.0(2) . . . . ?
C12 C13 C14 C41 -174.4(3) . . . . ?
C31 C13 C14 C41 -2.5(5) . . . . ?
Ru1 C13 C14 C41 124.0(3) . . . . ?
C12 C13 C14 Ru1 61.60(19) . . . . ?
C31 C13 C14 Ru1 -126.5(3) . . . . ?
C4 Ru1 C14 C13 135.34(19) . . . . ?
C3 Ru1 C14 C13 36.7(2) . . . . ?
C1 Ru1 C14 C13 -126.9(2) . . . . ?
C15 Ru1 C14 C13 -117.8(2) . . . . ?
C12 Ru1 C14 C13 -37.42(15) . . . . ?
C11 Ru1 C14 C13 -78.87(16) . . . . ?
C4 Ru1 C14 C15 -106.84(19) . . . . ?
C3 Ru1 C14 C15 154.56(19) . . . . ?
C1 Ru1 C14 C15 -9.1(2) . . . . ?
C12 Ru1 C14 C15 80.40(16) . . . . ?
C11 Ru1 C14 C15 38.95(14) . . . . ?
C13 Ru1 C14 C15 117.8(2) . . . . ?
C4 Ru1 C14 C41 14.5(3) . . . . ?
C3 Ru1 C14 C41 -84.1(3) . . . . ?
C1 Ru1 C14 C41 112.3(3) . . . . ?
C15 Ru1 C14 C41 121.3(3) . . . . ?
C12 Ru1 C14 C41 -158.3(3) . . . . ?
C11 Ru1 C14 C41 160.3(3) . . . . ?
C13 Ru1 C14 C41 -120.8(3) . . . . ?
O1 C11 C15 C14 -176.3(3) . . . . ?
C12 C11 C15 C14 4.1(3) . . . . ?
Ru1 C11 C15 C14 64.81(19) . . . . ?
O1 C11 C15 C51 -4.4(5) . . . . ?
C12 C11 C15 C51 176.0(3) . . . . ?
Ru1 C11 C15 C51 -123.2(3) . . . . ?
O1 C11 C15 Ru1 118.9(3) . . . . ?
C12 C11 C15 Ru1 -60.7(2) . . . . ?
C13 C14 C15 C11 -2.2(3) . . . . ?
C41 C14 C15 C11 171.7(3) . . . . ?
Ru1 C14 C15 C11 -65.35(19) . . . . ?
C13 C14 C15 C51 -173.8(3) . . . . ?
C41 C14 C15 C51 0.1(5) . . . . ?
Ru1 C14 C15 C51 123.1(3) . . . . ?
C13 C14 C15 Ru1 63.1(2) . . . . ?
C41 C14 C15 Ru1 -123.0(3) . . . . ?
C4 Ru1 C15 C11 -165.59(19) . . . . ?
C3 Ru1 C15 C11 39.0(5) . . . . ?
C1 Ru1 C15 C11 -72.40(19) . . . . ?
C12 Ru1 C15 C11 35.28(16) . . . . ?
C14 Ru1 C15 C11 113.9(2) . . . . ?
C13 Ru1 C15 C11 77.21(17) . . . . ?
C4 Ru1 C15 C14 80.50(19) . . . . ?
C3 Ru1 C15 C14 -74.9(5) . . . . ?
C1 Ru1 C15 C14 173.69(17) . . . . ?
C12 Ru1 C15 C14 -78.63(16) . . . . ?
C11 Ru1 C15 C14 -113.9(2) . . . . ?
C13 Ru1 C15 C14 -36.70(14) . . . . ?
C4 Ru1 C15 C51 -44.7(3) . . . . ?
C3 Ru1 C15 C51 159.9(4) . . . . ?
C1 Ru1 C15 C51 48.5(2) . . . . ?
C12 Ru1 C15 C51 156.2(3) . . . . ?
C14 Ru1 C15 C51 -125.2(3) . . . . ?
C11 Ru1 C15 C51 120.9(3) . . . . ?
C13 Ru1 C15 C51 -161.9(3) . . . . ?
C11 C12 C21 C26 119.6(3) . . . . ?
C13 C12 C21 C26 -46.8(4) . . . . ?
Ru1 C12 C21 C26 -145.0(3) . . . . ?
C11 C12 C21 C22 -56.9(4) . . . . ?
C13 C12 C21 C22 136.7(3) . . . . ?
Ru1 C12 C21 C22 38.5(4) . . . . ?
C26 C21 C22 C23 -0.6(4) . . . . ?
C12 C21 C22 C23 175.9(3) . . . . ?
C21 C22 C23 C24 1.7(5) . . . . ?
C22 C23 C24 C25 -1.3(5) . . . . ?
C23 C24 C25 C26 -0.1(5) . . . . ?
C22 C21 C26 C25 -0.8(5) . . . . ?
C12 C21 C26 C25 -177.4(3) . . . . ?
C24 C25 C26 C21 1.2(5) . . . . ?
C14 C13 C31 C36 137.1(3) . . . . ?
C12 C13 C31 C36 -52.4(4) . . . . ?
Ru1 C13 C31 C36 41.5(3) . . . . ?
C14 C13 C31 C32 -49.0(4) . . . . ?
C12 C13 C31 C32 121.5(3) . . . . ?
Ru1 C13 C31 C32 -144.6(2) . . . . ?
C36 C31 C32 C33 -0.2(4) . . . . ?
C13 C31 C32 C33 -174.4(2) . . . . ?
C31 C32 C33 C34 0.3(4) . . . . ?
C32 C33 C34 C35 -0.3(5) . . . . ?
C33 C34 C35 C36 0.2(5) . . . . ?
C34 C35 C36 C31 -0.1(5) . . . . ?
C32 C31 C36 C35 0.1(4) . . . . ?
C13 C31 C36 C35 174.1(3) . . . . ?
C13 C14 C41 C42 120.0(3) . . . . ?
C15 C14 C41 C42 -52.9(4) . . . . ?
Ru1 C14 C41 C42 -145.7(2) . . . . ?
C13 C14 C41 C46 -57.1(4) . . . . ?
C15 C14 C41 C46 129.9(3) . . . . ?
Ru1 C14 C41 C46 37.2(4) . . . . ?
C46 C41 C42 C43 1.0(4) . . . . ?
C14 C41 C42 C43 -176.2(3) . . . . ?
C41 C42 C43 C44 -0.6(4) . . . . ?
C42 C43 C44 C45 -0.2(5) . . . . ?
C43 C44 C45 C46 0.6(5) . . . . ?
C44 C45 C46 C41 -0.2(5) . . . . ?
C42 C41 C46 C45 -0.6(4) . . . . ?
C14 C41 C46 C45 176.5(3) . . . . ?
C11 C15 C51 C56 141.8(3) . . . . ?
C14 C15 C51 C56 -48.1(5) . . . . ?
Ru1 C15 C51 C56 47.8(4) . . . . ?
C11 C15 C51 C52 -38.6(4) . . . . ?
C14 C15 C51 C52 131.5(3) . . . . ?
Ru1 C15 C51 C52 -132.6(3) . . . . ?
C56 C51 C52 C53 -1.9(5) . . . . ?
C15 C51 C52 C53 178.4(3) . . . . ?
C51 C52 C53 C54 1.7(5) . . . . ?
C52 C53 C54 C55 -0.7(5) . . . . ?
C53 C54 C55 C56 0.0(5) . . . . ?
C54 C55 C56 C51 -0.3(5) . . . . ?
C52 C51 C56 C55 1.2(5) . . . . ?
C15 C51 C56 C55 -179.1(3) . . . . ?
