#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/28/2222807.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2222807
loop_
_publ_author_name
'Wang, Hong'
'Dong, Gui-Ying'
'Ma, Zhi-Hong'
'Liu, Xiao-Huan'
'Lin, Jin'
_publ_section_title
trans-Di-μ-carbonyl-bis{carbonyl[η⁵-2,3,4,5-tetramethyl-1-(5-methyl-2-furyl)cyclopentadienyl]ruthenium(I)}(Ru---Ru)
_journal_coeditor_code           NC2148
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m895
_journal_paper_doi               10.1107/S1600536809026075
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ru2 (C14 H17 O)2 (C O)4]'
_chemical_formula_moiety         'C32 H34 O6 Ru2'
_chemical_formula_sum            'C32 H34 O6 Ru2'
_chemical_formula_weight         716.73
_chemical_name_systematic
;trans-Di-μ-carbonyl-bis{carbonyl[η⁵-2,3,4,5-tetramethyl-1-(5-methyl-
2-furyl)cyclopentadienyl]ruthenium(I)}
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 102.220(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.504(3)
_cell_length_b                   16.978(7)
_cell_length_c                   10.223(4)
_cell_measurement_reflns_used    1828
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.81
_cell_measurement_theta_min      5.52
_cell_volume                     1442.6(10)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0310
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7123
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.37
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.090
_exptl_absorpt_correction_T_max  0.9178
_exptl_absorpt_correction_T_min  0.8535
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.650
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.721
_refine_diff_density_min         -0.736
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.284
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2552
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.284
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0361
_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)+(0.0263P)²+2.646P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                2448
_reflns_number_total             2552
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            nc2148.cif
_cod_data_source_block           I
_cod_original_cell_volume        1442.5(10)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2222807
_cod_database_fobs_code          2222807
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 0.51265(3) 0.030918(17) 0.12603(3) 0.02286(12) Uani d . 1 . .
O O1 0.1922(3) 0.0424(2) -0.0644(3) 0.0433(8) Uani d . 1 . .
O O2 0.6179(5) 0.1919(2) 0.0632(4) 0.0637(11) Uani d . 1 . .
O O3 0.2618(4) 0.15332(18) 0.3848(3) 0.0422(7) Uani d . 1 . .
C C1 0.3276(5) 0.0237(2) -0.0361(4) 0.0285(8) Uani d . 1 . .
C C2 0.5750(5) 0.1294(3) 0.0811(4) 0.0353(9) Uani d . 1 . .
C C3 0.3747(5) 0.0432(2) 0.2912(4) 0.0286(8) Uani d . 1 . .
C C4 0.5421(5) 0.0615(2) 0.3412(4) 0.0280(8) Uani d . 1 . .
C C5 0.6327(5) -0.0087(2) 0.3353(4) 0.0286(8) Uani d . 1 . .
C C6 0.5228(5) -0.0684(2) 0.2787(4) 0.0288(8) Uani d . 1 . .
C C7 0.3654(5) -0.0376(2) 0.2524(4) 0.0299(8) Uani d . 1 . .
C C8 0.2398(5) 0.0956(2) 0.2882(4) 0.0330(9) Uani d . 1 . .
C C9 0.0903(5) 0.1014(3) 0.2136(5) 0.0506(12) Uani d . 1 . .
H H9 0.0443 0.0695 0.1417 0.061 Uiso calc R 1 . .
C C10 0.0163(6) 0.1652(3) 0.2653(6) 0.0559(14) Uani d . 1 . .
H H10 -0.0879 0.1832 0.2327 0.067 Uiso calc R 1 . .
C C11 0.1194(6) 0.1946(3) 0.3670(5) 0.0486(12) Uani d . 1 . .
C C12 0.1170(9) 0.2592(4) 0.4635(7) 0.082(2) Uani d . 1 . .
H H12A 0.0222 0.2906 0.4342 0.122 Uiso calc R 1 . .
H H12B 0.2108 0.2915 0.4688 0.122 Uiso calc R 1 . .
H H12C 0.1165 0.2374 0.5501 0.122 Uiso calc R 1 . .
C C13 0.6112(6) 0.1365(3) 0.4048(4) 0.0416(10) Uani d . 1 . .
H H13A 0.5533 0.1803 0.3585 0.062 Uiso calc R 1 . .
H H13B 0.7225 0.1401 0.4000 0.062 Uiso calc R 1 . .
H H13C 0.6021 0.1373 0.4968 0.062 Uiso calc R 1 . .
C C14 0.8093(5) -0.0180(3) 0.3875(5) 0.0416(10) Uani d . 1 . .
H H14A 0.8298 -0.0277 0.4822 0.062 Uiso calc R 1 . .
H H14B 0.8637 0.0292 0.3705 0.062 Uiso calc R 1 . .
H H14C 0.8480 -0.0617 0.3436 0.062 Uiso calc R 1 . .
C C15 0.5671(6) -0.1531(3) 0.2627(5) 0.0451(11) Uani d . 1 . .
H H15A 0.5814 -0.1794 0.3475 0.068 Uiso calc R 1 . .
H H15B 0.6654 -0.1555 0.2309 0.068 Uiso calc R 1 . .
H H15C 0.4827 -0.1785 0.1994 0.068 Uiso calc R 1 . .
C C16 0.2141(6) -0.0843(3) 0.2052(5) 0.0474(11) Uani d . 1 . .
H H16A 0.1693 -0.0718 0.1132 0.071 Uiso calc R 1 . .
H H16B 0.1377 -0.0715 0.2588 0.071 Uiso calc R 1 . .
H H16C 0.2385 -0.1395 0.2132 0.071 Uiso calc R 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 Ru1 C1 . 3_655 92.69(17) ?
C2 Ru1 C1 . . 93.75(17) ?
C1 Ru1 C1 3_655 . 94.61(16) ?
C2 Ru1 C4 . . 93.23(16) ?
C1 Ru1 C4 3_655 . 127.74(15) ?
C1 Ru1 C4 . . 136.60(15) ?
C2 Ru1 C3 . . 108.97(17) ?
C1 Ru1 C3 3_655 . 152.57(15) ?
C1 Ru1 C3 . . 100.37(15) ?
C4 Ru1 C3 . . 37.50(14) ?
C2 Ru1 C5 . . 114.09(16) ?
C1 Ru1 C5 3_655 . 94.66(15) ?
C1 Ru1 C5 . . 150.13(15) ?
C4 Ru1 C5 . . 37.04(14) ?
C3 Ru1 C5 . . 61.57(14) ?
C2 Ru1 C6 . . 150.26(16) ?
C1 Ru1 C6 3_655 . 92.30(15) ?
C1 Ru1 C6 . . 115.03(15) ?
C4 Ru1 C6 . . 61.08(14) ?
C3 Ru1 C6 . . 60.55(14) ?
C5 Ru1 C6 . . 36.24(14) ?
C2 Ru1 C7 . . 145.09(17) ?
C1 Ru1 C7 3_655 . 121.50(15) ?
C1 Ru1 C7 . . 90.47(15) ?
C4 Ru1 C7 . . 61.45(14) ?
C3 Ru1 C7 . . 36.42(14) ?
C5 Ru1 C7 . . 60.63(14) ?
C6 Ru1 C7 . . 35.80(14) ?
C2 Ru1 Ru1 . 3_655 94.75(13) ?
C1 Ru1 Ru1 3_655 3_655 47.51(11) ?
C1 Ru1 Ru1 . 3_655 47.10(11) ?
C4 Ru1 Ru1 . 3_655 170.90(11) ?
C3 Ru1 Ru1 . 3_655 141.76(10) ?
C5 Ru1 Ru1 . 3_655 134.53(10) ?
C6 Ru1 Ru1 . 3_655 110.03(10) ?
C7 Ru1 Ru1 . 3_655 112.96(10) ?
C8 O3 C11 . . 106.6(4) ?
O1 C1 Ru1 . 3_655 137.2(3) ?
O1 C1 Ru1 . . 137.4(3) ?
Ru1 C1 Ru1 3_655 . 85.39(16) ?
O2 C2 Ru1 . . 174.9(4) ?
C7 C3 C4 . . 107.4(3) ?
C7 C3 C8 . . 126.1(4) ?
C4 C3 C8 . . 126.4(4) ?
C7 C3 Ru1 . . 73.2(2) ?
C4 C3 Ru1 . . 69.8(2) ?
C8 C3 Ru1 . . 125.1(3) ?
C5 C4 C3 . . 107.8(3) ?
C5 C4 C13 . . 124.4(4) ?
C3 C4 C13 . . 127.4(4) ?
C5 C4 Ru1 . . 73.2(2) ?
C3 C4 Ru1 . . 72.7(2) ?
C13 C4 Ru1 . . 125.6(3) ?
C6 C5 C4 . . 107.4(3) ?
C6 C5 C14 . . 126.7(4) ?
C4 C5 C14 . . 125.8(4) ?
C6 C5 Ru1 . . 72.6(2) ?
C4 C5 Ru1 . . 69.7(2) ?
C14 C5 Ru1 . . 125.9(3) ?
C7 C6 C5 . . 109.3(3) ?
C7 C6 C15 . . 125.7(4) ?
C5 C6 C15 . . 124.7(4) ?
C7 C6 Ru1 . . 72.5(2) ?
C5 C6 Ru1 . . 71.2(2) ?
C15 C6 Ru1 . . 127.2(3) ?
C6 C7 C3 . . 108.0(3) ?
C6 C7 C16 . . 125.5(4) ?
C3 C7 C16 . . 126.2(4) ?
C6 C7 Ru1 . . 71.7(2) ?
C3 C7 Ru1 . . 70.4(2) ?
C16 C7 Ru1 . . 128.2(3) ?
C9 C8 O3 . . 108.9(4) ?
C9 C8 C3 . . 135.1(4) ?
O3 C8 C3 . . 115.9(4) ?
C8 C9 C10 . . 106.7(5) ?
C8 C9 H9 . . 126.6 ?
C10 C9 H9 . . 126.6 ?
C11 C10 C9 . . 108.3(4) ?
C11 C10 H10 . . 125.8 ?
C9 C10 H10 . . 125.8 ?
C10 C11 O3 . . 109.4(4) ?
C10 C11 C12 . . 135.4(5) ?
O3 C11 C12 . . 115.2(5) ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C4 C13 H13A . . 109.5 ?
C4 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C4 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C5 C14 H14A . . 109.5 ?
C5 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C5 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C6 C15 H15A . . 109.5 ?
C6 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C6 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C7 C16 H16A . . 109.5 ?
C7 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C7 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C2 . 1.842(4) ?
Ru1 C1 3_655 2.020(4) ?
Ru1 C1 . 2.033(4) ?
Ru1 C4 . 2.222(4) ?
Ru1 C3 . 2.260(4) ?
Ru1 C5 . 2.268(4) ?
Ru1 C6 . 2.286(4) ?
Ru1 C7 . 2.297(4) ?
Ru1 Ru1 3_655 2.7483(11) ?
O1 C1 . 1.170(5) ?
O2 C2 . 1.149(5) ?
O3 C8 . 1.376(5) ?
O3 C11 . 1.378(5) ?
C1 Ru1 3_655 2.020(4) ?
C3 C7 . 1.425(5) ?
C3 C4 . 1.441(5) ?
C3 C8 . 1.447(6) ?
C4 C5 . 1.427(6) ?
C4 C13 . 1.492(6) ?
C5 C6 . 1.416(6) ?
C5 C14 . 1.493(6) ?
C6 C7 . 1.409(6) ?
C6 C15 . 1.506(6) ?
C7 C16 . 1.502(6) ?
C8 C9 . 1.341(6) ?
C9 C10 . 1.410(7) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.310(8) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.477(8) ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
C14 H14A . 0.9600 ?
C14 H14B . 0.9600 ?
C14 H14C . 0.9600 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C2 Ru1 C1 O1 . . . . -87.0(5) ?
C1 Ru1 C1 O1 3_655 . . . 180.0(6) ?
C4 Ru1 C1 O1 . . . . 11.7(6) ?
C3 Ru1 C1 O1 . . . . 23.0(5) ?
C5 Ru1 C1 O1 . . . . 72.3(6) ?
C6 Ru1 C1 O1 . . . . 85.3(5) ?
C7 Ru1 C1 O1 . . . . 58.3(5) ?
Ru1 Ru1 C1 O1 3_655 . . . 180.0(6) ?
C2 Ru1 C1 Ru1 . . . 3_655 93.01(17) ?
C1 Ru1 C1 Ru1 3_655 . . 3_655 0.0 ?
C4 Ru1 C1 Ru1 . . . 3_655 -168.28(16) ?
C3 Ru1 C1 Ru1 . . . 3_655 -156.93(13) ?
C5 Ru1 C1 Ru1 . . . 3_655 -107.7(3) ?
C6 Ru1 C1 Ru1 . . . 3_655 -94.71(15) ?
C7 Ru1 C1 Ru1 . . . 3_655 -121.66(14) ?
C1 Ru1 C2 O2 3_655 . . . -115(5) ?
C1 Ru1 C2 O2 . . . . 150(5) ?
C4 Ru1 C2 O2 . . . . 13(5) ?
C3 Ru1 C2 O2 . . . . 48(5) ?
C5 Ru1 C2 O2 . . . . -19(5) ?
C6 Ru1 C2 O2 . . . . -16(5) ?
C7 Ru1 C2 O2 . . . . 54(5) ?
Ru1 Ru1 C2 O2 3_655 . . . -163(5) ?
C2 Ru1 C3 C7 . . . . 174.1(2) ?
C1 Ru1 C3 C7 3_655 . . . -45.5(4) ?
C1 Ru1 C3 C7 . . . . 76.5(2) ?
C4 Ru1 C3 C7 . . . . -116.4(3) ?
C5 Ru1 C3 C7 . . . . -78.1(2) ?
C6 Ru1 C3 C7 . . . . -36.5(2) ?
Ru1 Ru1 C3 C7 3_655 . . . 48.8(3) ?
C2 Ru1 C3 C4 . . . . -69.5(3) ?
C1 Ru1 C3 C4 3_655 . . . 70.8(4) ?
C1 Ru1 C3 C4 . . . . -167.2(2) ?
C5 Ru1 C3 C4 . . . . 38.2(2) ?
C6 Ru1 C3 C4 . . . . 79.8(2) ?
C7 Ru1 C3 C4 . . . . 116.4(3) ?
Ru1 Ru1 C3 C4 3_655 . . . 165.20(18) ?
C2 Ru1 C3 C8 . . . . 51.4(4) ?
C1 Ru1 C3 C8 3_655 . . . -168.2(3) ?
C1 Ru1 C3 C8 . . . . -46.2(4) ?
C4 Ru1 C3 C8 . . . . 121.0(4) ?
C5 Ru1 C3 C8 . . . . 159.2(4) ?
C6 Ru1 C3 C8 . . . . -159.2(4) ?
C7 Ru1 C3 C8 . . . . -122.7(5) ?
Ru1 Ru1 C3 C8 3_655 . . . -73.8(4) ?
C7 C3 C4 C5 . . . . -1.3(4) ?
C8 C3 C4 C5 . . . . 175.3(4) ?
Ru1 C3 C4 C5 . . . . -65.3(3) ?
C7 C3 C4 C13 . . . . -174.0(4) ?
C8 C3 C4 C13 . . . . 2.6(6) ?
Ru1 C3 C4 C13 . . . . 121.9(4) ?
C7 C3 C4 Ru1 . . . . 64.0(3) ?
C8 C3 C4 Ru1 . . . . -119.4(4) ?
C2 Ru1 C4 C5 . . . . -127.1(3) ?
C1 Ru1 C4 C5 3_655 . . . -31.2(3) ?
C1 Ru1 C4 C5 . . . . 133.9(2) ?
C3 Ru1 C4 C5 . . . . 115.4(3) ?
C6 Ru1 C4 C5 . . . . 37.1(2) ?
C7 Ru1 C4 C5 . . . . 78.1(2) ?
Ru1 Ru1 C4 C5 3_655 . . . 24.2(7) ?
C2 Ru1 C4 C3 . . . . 117.5(3) ?
C1 Ru1 C4 C3 3_655 . . . -146.6(2) ?
C1 Ru1 C4 C3 . . . . 18.5(3) ?
C5 Ru1 C4 C3 . . . . -115.4(3) ?
C6 Ru1 C4 C3 . . . . -78.3(2) ?
C7 Ru1 C4 C3 . . . . -37.3(2) ?
Ru1 Ru1 C4 C3 3_655 . . . -91.2(6) ?
C2 Ru1 C4 C13 . . . . -6.5(4) ?
C1 Ru1 C4 C13 3_655 . . . 89.4(4) ?
C1 Ru1 C4 C13 . . . . -105.4(4) ?
C3 Ru1 C4 C13 . . . . -124.0(5) ?
C5 Ru1 C4 C13 . . . . 120.6(4) ?
C6 Ru1 C4 C13 . . . . 157.7(4) ?
C7 Ru1 C4 C13 . . . . -161.3(4) ?
Ru1 Ru1 C4 C13 3_655 . . . 144.8(5) ?
C3 C4 C5 C6 . . . . 1.7(4) ?
C13 C4 C5 C6 . . . . 174.7(4) ?
Ru1 C4 C5 C6 . . . . -63.2(3) ?
C3 C4 C5 C14 . . . . -174.7(4) ?
C13 C4 C5 C14 . . . . -1.7(6) ?
Ru1 C4 C5 C14 . . . . 120.3(4) ?
C3 C4 C5 Ru1 . . . . 64.9(3) ?
C13 C4 C5 Ru1 . . . . -122.0(4) ?
C2 Ru1 C5 C6 . . . . 177.4(2) ?
C1 Ru1 C5 C6 3_655 . . . -87.5(2) ?
C1 Ru1 C5 C6 . . . . 20.2(4) ?
C4 Ru1 C5 C6 . . . . 116.8(3) ?
C3 Ru1 C5 C6 . . . . 78.0(2) ?
C7 Ru1 C5 C6 . . . . 36.2(2) ?
Ru1 Ru1 C5 C6 3_655 . . . -58.0(3) ?
C2 Ru1 C5 C4 . . . . 60.7(3) ?
C1 Ru1 C5 C4 3_655 . . . 155.7(2) ?
C1 Ru1 C5 C4 . . . . -96.6(3) ?
C3 Ru1 C5 C4 . . . . -38.7(2) ?
C6 Ru1 C5 C4 . . . . -116.8(3) ?
C7 Ru1 C5 C4 . . . . -80.5(2) ?
Ru1 Ru1 C5 C4 3_655 . . . -174.79(17) ?
C2 Ru1 C5 C14 . . . . -59.5(4) ?
C1 Ru1 C5 C14 3_655 . . . 35.5(4) ?
C1 Ru1 C5 C14 . . . . 143.2(4) ?
C4 Ru1 C5 C14 . . . . -120.2(5) ?
C3 Ru1 C5 C14 . . . . -158.9(4) ?
C6 Ru1 C5 C14 . . . . 123.1(5) ?
C7 Ru1 C5 C14 . . . . 159.3(4) ?
Ru1 Ru1 C5 C14 3_655 . . . 65.0(4) ?
C4 C5 C6 C7 . . . . -1.5(4) ?
C14 C5 C6 C7 . . . . 174.9(4) ?
Ru1 C5 C6 C7 . . . . -62.9(3) ?
C4 C5 C6 C15 . . . . -175.8(4) ?
C14 C5 C6 C15 . . . . 0.5(6) ?
Ru1 C5 C6 C15 . . . . 122.8(4) ?
C4 C5 C6 Ru1 . . . . 61.4(2) ?
C14 C5 C6 Ru1 . . . . -122.2(4) ?
C2 Ru1 C6 C7 . . . . 113.5(4) ?
C1 Ru1 C6 C7 3_655 . . . -147.0(2) ?
C1 Ru1 C6 C7 . . . . -50.8(3) ?
C4 Ru1 C6 C7 . . . . 80.4(2) ?
C3 Ru1 C6 C7 . . . . 37.2(2) ?
C5 Ru1 C6 C7 . . . . 118.3(3) ?
Ru1 Ru1 C6 C7 3_655 . . . -101.8(2) ?
C2 Ru1 C6 C5 . . . . -4.8(4) ?
C1 Ru1 C6 C5 3_655 . . . 94.7(2) ?
C1 Ru1 C6 C5 . . . . -169.1(2) ?
C4 Ru1 C6 C5 . . . . -37.9(2) ?
C3 Ru1 C6 C5 . . . . -81.1(2) ?
C7 Ru1 C6 C5 . . . . -118.3(3) ?
Ru1 Ru1 C6 C5 3_655 . . . 139.9(2) ?
C2 Ru1 C6 C15 . . . . -124.6(4) ?
C1 Ru1 C6 C15 3_655 . . . -25.1(4) ?
C1 Ru1 C6 C15 . . . . 71.1(4) ?
C4 Ru1 C6 C15 . . . . -157.7(4) ?
C3 Ru1 C6 C15 . . . . 159.1(4) ?
C5 Ru1 C6 C15 . . . . -119.8(5) ?
C7 Ru1 C6 C15 . . . . 121.9(5) ?
Ru1 Ru1 C6 C15 3_655 . . . 20.1(4) ?
C5 C6 C7 C3 . . . . 0.7(4) ?
C15 C6 C7 C3 . . . . 175.0(4) ?
Ru1 C6 C7 C3 . . . . -61.4(3) ?
C5 C6 C7 C16 . . . . -173.6(4) ?
C15 C6 C7 C16 . . . . 0.7(7) ?
Ru1 C6 C7 C16 . . . . 124.3(4) ?
C5 C6 C7 Ru1 . . . . 62.1(3) ?
C15 C6 C7 Ru1 . . . . -123.7(4) ?
C4 C3 C7 C6 . . . . 0.4(4) ?
C8 C3 C7 C6 . . . . -176.3(4) ?
Ru1 C3 C7 C6 . . . . 62.2(3) ?
C4 C3 C7 C16 . . . . 174.6(4) ?
C8 C3 C7 C16 . . . . -2.0(7) ?
Ru1 C3 C7 C16 . . . . -123.6(4) ?
C4 C3 C7 Ru1 . . . . -61.8(2) ?
C8 C3 C7 Ru1 . . . . 121.6(4) ?
C2 Ru1 C7 C6 . . . . -127.4(3) ?
C1 Ru1 C7 C6 3_655 . . . 39.7(3) ?
C1 Ru1 C7 C6 . . . . 135.4(2) ?
C4 Ru1 C7 C6 . . . . -79.2(2) ?
C3 Ru1 C7 C6 . . . . -117.6(3) ?
C5 Ru1 C7 C6 . . . . -36.7(2) ?
Ru1 Ru1 C7 C6 3_655 . . . 92.8(2) ?
C2 Ru1 C7 C3 . . . . -9.7(4) ?
C1 Ru1 C7 C3 3_655 . . . 157.3(2) ?
C1 Ru1 C7 C3 . . . . -107.0(2) ?
C4 Ru1 C7 C3 . . . . 38.4(2) ?
C5 Ru1 C7 C3 . . . . 80.9(2) ?
C6 Ru1 C7 C3 . . . . 117.6(3) ?
Ru1 Ru1 C7 C3 3_655 . . . -149.6(2) ?
C2 Ru1 C7 C16 . . . . 111.5(4) ?
C1 Ru1 C7 C16 3_655 . . . -81.5(4) ?
C1 Ru1 C7 C16 . . . . 14.2(4) ?
C4 Ru1 C7 C16 . . . . 159.6(4) ?
C3 Ru1 C7 C16 . . . . 121.2(5) ?
C5 Ru1 C7 C16 . . . . -157.8(4) ?
C6 Ru1 C7 C16 . . . . -121.2(5) ?
Ru1 Ru1 C7 C16 3_655 . . . -28.4(4) ?
C11 O3 C8 C9 . . . . 0.3(5) ?
C11 O3 C8 C3 . . . . -178.2(4) ?
C7 C3 C8 C9 . . . . -29.6(8) ?
C4 C3 C8 C9 . . . . 154.4(5) ?
Ru1 C3 C8 C9 . . . . 64.7(7) ?
C7 C3 C8 O3 . . . . 148.4(4) ?
C4 C3 C8 O3 . . . . -27.6(6) ?
Ru1 C3 C8 O3 . . . . -117.3(3) ?
O3 C8 C9 C10 . . . . 0.1(5) ?
C3 C8 C9 C10 . . . . 178.2(5) ?
C8 C9 C10 C11 . . . . -0.6(6) ?
C9 C10 C11 O3 . . . . 0.7(6) ?
C9 C10 C11 C12 . . . . -178.8(6) ?
C8 O3 C11 C10 . . . . -0.6(5) ?
C8 O3 C11 C12 . . . . 179.0(5) ?
