#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:11:33 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178639 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/50/4075031.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_4075031
loop_
_publ_author_name
'Petrukhina, Marina A.'
'Filatov, Alexander S.'
'Sevryugina, Yulia'
'Andreini, Kristian W.'
'Takamizawa, Satoshi'
_publ_section_title
;
 Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of
 Extended Organometallic Networks
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2135
_journal_paper_doi               10.1021/om051100m
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety
;
 [Ru2 (O2C CF3)2 (CO)4] (C24 H24)
;
_chemical_formula_sum            'C32 H24 F6 O8 Ru2'
_chemical_formula_weight         852.65
_chemical_melting_point          ?
_chemical_name_systematic
; 
 catena[mu2-(eta2/eta2-[2.2.2]paracyclophane)-
 bis(mu2-trifluoroacetato-O,O')-tetra(carbonyl)-diruthenium(I,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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.4900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7452(6)
_cell_length_b                   22.7415(14)
_cell_length_c                   14.6650(9)
_cell_measurement_reflns_used    7733
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.146
_cell_measurement_theta_min      2.281
_cell_volume                     3195.7(3)
_computing_cell_refinement       'SMART, SAINT'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXP-01 (Sheldrick, 2001)'
_computing_publication_material  'SHELXCIF-01 (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-01 (Sheldrick, 2001)'
_computing_structure_solution    'SHELXS-01 (Sheldrick, 2001)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       '0.3 deg wide ω exposures'
_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  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27074
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count na
_diffrn_standards_interval_time  na
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    1.030
_exptl_absorpt_correction_T_max  0.9408
_exptl_absorpt_correction_T_min  0.8692
_exptl_absorpt_correction_type   'multi-scan (SADABS)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.755
_refine_diff_density_min         -0.674
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     492
_refine_ls_number_reflns         7550
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0499P)²+2.5307P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.0922
_reflns_number_gt                6367
_reflns_number_total             7550
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om051100msi20051229_125254.cif
_cod_data_source_block           '[Ru2(O2CCF3)2(CO)4(C24H24)]_(4)'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4075031
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_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 -0.08664(3) 0.026439(11) 0.205210(16) 0.02817(8) Uani 1 1 d . . .
O1 O 0.0667(3) 0.01281(11) 0.32794(16) 0.0436(6) Uani 1 1 d . A .
O2 O -0.1835(3) 0.07762(11) 0.29777(17) 0.0456(6) Uani 1 1 d . D .
C5 C -0.2248(3) 0.04338(15) 0.1047(2) 0.0361(7) Uani 1 1 d . . .
O5 O -0.3111(3) 0.05486(13) 0.04410(19) 0.0533(7) Uani 1 1 d . . .
C6 C 0.0002(3) -0.01835(13) 0.1269(2) 0.0307(6) Uani 1 1 d . . .
O6 O 0.0512(3) -0.04629(11) 0.07809(16) 0.0413(5) Uani 1 1 d . . .
Ru2 Ru 0.05863(2) 0.124280(10) 0.189790(15) 0.02655(8) Uani 1 1 d . . .
O3 O 0.1837(3) 0.09628(11) 0.31655(16) 0.0422(6) Uani 1 1 d . . .
O4 O -0.0664(3) 0.16022(11) 0.28281(17) 0.0422(6) Uani 1 1 d . . .
C7 C -0.0531(3) 0.15137(14) 0.0825(2) 0.0328(7) Uani 1 1 d . . .
O7 O -0.1213(3) 0.16809(11) 0.01561(17) 0.0457(6) Uani 1 1 d . . .
C8 C 0.1705(3) 0.08983(13) 0.1160(2) 0.0313(6) Uani 1 1 d . . .
O8 O 0.2400(3) 0.06855(11) 0.07043(18) 0.0433(6) Uani 1 1 d . . .
C1 C 0.1564(4) 0.05049(15) 0.3554(2) 0.0366(7) Uani 1 1 d . A .
C3 C 0.2457(5) 0.04182(17) 0.4522(3) 0.0542(10) Uani 1 1 d D A 1
F1 F 0.2197(6) 0.08474(19) 0.5082(3) 0.0446(11) Uiso 0.60 1 d PD A 1
F2 F 0.3896(4) 0.0455(2) 0.4419(3) 0.0492(10) Uiso 0.60 1 d PD A 1
F3 F 0.2310(6) -0.00973(18) 0.4884(3) 0.0469(10) Uiso 0.60 1 d PD A 1
F1X F 0.2653(10) 0.0907(3) 0.5038(6) 0.036(2) Uiso 0.25 1 d PD A 2
F2X F 0.3626(10) 0.0276(5) 0.4580(8) 0.055(3) Uiso 0.25 1 d PD A 2
F3X F 0.1750(11) -0.0011(4) 0.5001(7) 0.051(2) Uiso 0.25 1 d PD A 2
F1Y F 0.1662(16) 0.0696(7) 0.5094(10) 0.050(4) Uiso 0.15 1 d PD A 3
F2Y F 0.3665(17) 0.0648(9) 0.4676(16) 0.083(7) Uiso 0.15 1 d PD A 3
F3Y F 0.2796(16) -0.0127(5) 0.4768(10) 0.037(4) Uiso 0.15 1 d PD A 3
C2 C -0.1471(3) 0.12905(14) 0.3168(2) 0.0344(7) Uani 1 1 d . D .
C4 C -0.2125(4) 0.15624(17) 0.3952(3) 0.0462(9) Uani 1 1 d . . .
F6 F -0.1643(3) 0.12916(11) 0.47405(16) 0.0694(8) Uani 1 1 d . . .
F5 F -0.1824(3) 0.21275(10) 0.40859(17) 0.0642(7) Uani 1 1 d . . .
F4 F -0.3501(3) 0.15111(14) 0.3772(2) 0.0785(9) Uani 1 1 d . . .
C9 C -0.2372(4) -0.05076(15) 0.2701(2) 0.0356(7) Uani 1 1 d . D .
H9 H -0.232(4) -0.0280(15) 0.316(3) 0.031(9) Uiso 1 1 d . . .
C10 C -0.1260(4) -0.08867(15) 0.2678(2) 0.0351(7) Uani 1 1 d . D .
H10 H -0.050(4) -0.0857(17) 0.315(2) 0.040(10) Uiso 1 1 d . . .
C11 C -0.1321(3) -0.13105(14) 0.1986(2) 0.0321(6) Uani 1 1 d . D .
C12 C -0.2509(4) -0.13253(15) 0.1305(2) 0.0351(7) Uani 1 1 d . . .
H12 H -0.258(4) -0.1591(16) 0.080(3) 0.040(10) Uiso 1 1 d . . .
C13 C -0.3622(4) -0.09410(16) 0.1325(2) 0.0402(8) Uani 1 1 d . D .
H13 H -0.440(5) -0.0970(19) 0.083(3) 0.058(12) Uiso 1 1 d . . .
C15 C -0.0137(4) -0.17449(17) 0.1990(3) 0.0405(8) Uani 1 1 d . . .
H15A H 0.066(4) -0.1540(18) 0.187(3) 0.051(12) Uiso 1 1 d . . .
H15B H -0.042(4) -0.2013(16) 0.149(3) 0.036(9) Uiso 1 1 d . . .
C17 C -0.1793(3) -0.27803(15) 0.2645(2) 0.0349(7) Uani 1 1 d . . .
H17 H -0.157(4) -0.2857(16) 0.208(3) 0.042(10) Uiso 1 1 d . . .
C18 C -0.2983(4) -0.30189(15) 0.2908(3) 0.0386(7) Uani 1 1 d . . .
H18 H -0.354(4) -0.3279(16) 0.251(3) 0.041(10) Uiso 1 1 d . . .
C20 C -0.2558(4) -0.24669(16) 0.4297(3) 0.0423(8) Uani 1 1 d . . .
H20 H -0.279(4) -0.2343(17) 0.482(3) 0.044(11) Uiso 1 1 d . . .
C21 C -0.1365(4) -0.22264(15) 0.4050(3) 0.0395(7) Uani 1 1 d . . .
H21 H -0.080(4) -0.1948(16) 0.444(2) 0.036(9) Uiso 1 1 d . . .
C22 C -0.0974(3) -0.23677(14) 0.3214(2) 0.0342(7) Uani 1 1 d . . .
C24 C 0.0258(3) -0.20767(17) 0.2909(3) 0.0419(8) Uani 1 1 d . . .
H24A H 0.070(4) -0.1816(17) 0.342(3) 0.041(10) Uiso 1 1 d . . .
H24B H 0.093(4) -0.2369(18) 0.285(3) 0.047(11) Uiso 1 1 d . . .
C25 C -0.6309(4) -0.1582(3) 0.2205(3) 0.0658(15) Uani 1 1 d . . .
H25 H -0.647(4) -0.1553(17) 0.169(3) 0.033(10) Uiso 1 1 d . . .
C26 C -0.6162(4) -0.2111(2) 0.2771(4) 0.0721(16) Uani 1 1 d . D .
H26 H -0.6302 -0.2488 0.2491 0.086 Uiso 1 1 calc R B 1
C28 C -0.5606(5) -0.1541(3) 0.4094(3) 0.0687(13) Uani 1 1 d . . .
H28 H -0.5338 -0.1514 0.4748 0.082 Uiso 1 1 calc R C 1
C29 C -0.5753(5) -0.1048(2) 0.3586(3) 0.0591(11) Uani 1 1 d . D .
H29 H -0.556(5) -0.069(2) 0.389(4) 0.077(16) Uiso 1 1 d . . .
C30 C -0.6079(3) -0.10365(18) 0.2641(3) 0.0436(8) Uani 1 1 d D D 1
C32 C -0.6192(5) -0.0492(2) 0.2048(3) 0.0447(10) Uiso 0.80 1 d PD D 1
H32A H -0.6569 -0.0606 0.1399 0.054 Uiso 0.80 1 calc PR D 1
H32B H -0.6875 -0.0223 0.2252 0.054 Uiso 0.80 1 calc PR D 1
C16 C -0.4878(5) -0.0170(2) 0.2066(4) 0.0483(14) Uiso 0.80 1 d PD D 1
H16A H -0.4693 0.0069 0.2640 0.058 Uiso 0.80 1 calc PR D 1
H16B H -0.5012 0.0106 0.1535 0.058 Uiso 0.80 1 calc PR D 1
C14 C -0.3590(4) -0.05370(15) 0.2027(2) 0.0389(8) Uani 1 1 d D D 1
C32X C -0.5813(17) -0.0361(6) 0.2599(14) 0.046(3) Uiso 0.20 1 d PD D 2
H32C H -0.6638 -0.0194 0.2186 0.055 Uiso 0.20 1 calc PR D 2
H32D H -0.5833 -0.0207 0.3227 0.055 Uiso 0.20 1 calc PR D 2
C16X C -0.4611(19) -0.0102(7) 0.2315(17) 0.046(3) Uiso 0.20 1 d PD D 2
H16C H -0.4110 0.0138 0.2834 0.055 Uiso 0.20 1 calc PR D 2
H16D H -0.4934 0.0167 0.1789 0.055 Uiso 0.20 1 calc PR D 2
C27 C -0.5822(4) -0.2058(2) 0.3708(3) 0.0614(12) Uani 1 1 d D D 1
C31 C -0.5616(6) -0.2634(2) 0.4326(4) 0.0596(13) Uiso 0.80 1 d PD D 1
H31A H -0.5208 -0.2521 0.4971 0.072 Uiso 0.80 1 calc PR D 1
H31B H -0.6543 -0.2810 0.4334 0.072 Uiso 0.80 1 calc PR D 1
C23 C -0.4726(5) -0.3076(2) 0.4014(4) 0.0462(14) Uiso 0.80 1 d PD D 1
H23A H -0.5280 -0.3284 0.3476 0.055 Uiso 0.80 1 calc PR D 1
H23B H -0.4475 -0.3369 0.4516 0.055 Uiso 0.80 1 calc PR D 1
C19 C -0.3391(4) -0.28608(15) 0.3736(3) 0.0413(8) Uani 1 1 d D D 1
C31X C -0.6021(16) -0.2809(6) 0.3426(13) 0.044(3) Uiso 0.20 1 d PD D 2
H31C H -0.6811 -0.2968 0.3689 0.052 Uiso 0.20 1 calc PR D 2
H31D H -0.6261 -0.2849 0.2743 0.052 Uiso 0.20 1 calc PR D 2
C23X C -0.4807(14) -0.3153(8) 0.3757(17) 0.044(3) Uiso 0.20 1 d PD D 2
H23C H -0.4864 -0.3518 0.3384 0.052 Uiso 0.20 1 calc PR D 2
H23D H -0.4829 -0.3269 0.4405 0.052 Uiso 0.20 1 calc PR D 2
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'
F F 0.0171 0.0103 '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
C5 Ru1 C6 88.25(14) . . y
C5 Ru1 O2 92.92(13) . . y
C6 Ru1 O2 178.83(12) . . y
C5 Ru1 O1 175.07(12) . . y
C6 Ru1 O1 96.53(12) . . y
O2 Ru1 O1 82.30(10) . . y
C5 Ru1 C9 93.16(13) . . y
C6 Ru1 C9 102.09(12) . . y
O2 Ru1 C9 77.83(10) . . y
O1 Ru1 C9 87.02(10) . . y
C5 Ru1 Ru2 94.56(10) . . y
C6 Ru1 Ru2 95.56(9) . . y
O2 Ru1 Ru2 84.38(6) . . y
O1 Ru1 Ru2 83.82(7) . . y
C9 Ru1 Ru2 160.92(8) . . y
C5 Ru1 C10 109.29(13) . . y
C6 Ru1 C10 78.22(11) . . y
O2 Ru1 C10 101.35(9) . . y
O1 Ru1 C10 73.01(10) . . y
C9 Ru1 C10 29.38(10) . . y
Ru2 Ru1 C10 154.98(7) . . y
C5 Ru1 C14 68.18(12) . . y
C6 Ru1 C14 98.66(11) . . y
O2 Ru1 C14 81.77(9) . . y
O1 Ru1 C14 112.08(9) . . y
C9 Ru1 C14 25.06(10) . . y
Ru2 Ru1 C14 157.13(6) . . y
C10 Ru1 C14 46.94(9) . . y
C5 Ru1 C11 96.74(12) . . y
C6 Ru1 C11 60.32(10) . . y
O2 Ru1 C11 119.47(8) . . y
O1 Ru1 C11 86.70(8) . . y
C9 Ru1 C11 42.16(9) . . y
Ru2 Ru1 C11 152.85(5) . . y
C10 Ru1 C11 20.78(8) . . y
C14 Ru1 C11 48.67(8) . . y
C1 O1 Ru1 121.1(2) . . n
C2 O2 Ru1 121.1(2) . . n
O5 C5 Ru1 178.3(3) . . n
O6 C6 Ru1 178.7(3) . . n
C8 Ru2 C7 87.81(14) . . y
C8 Ru2 O3 94.56(12) . . y
C7 Ru2 O3 177.41(12) . . y
C8 Ru2 O4 176.17(12) . . y
C7 Ru2 O4 95.71(12) . . y
O3 Ru2 O4 81.95(10) . . y
C8 Ru2 C17 103.36(12) . 2 y
C7 Ru2 C17 96.06(13) . 2 y
O3 Ru2 C17 82.37(10) . 2 y
O4 Ru2 C17 77.82(10) . 2 y
C8 Ru2 Ru1 94.29(9) . . y
C7 Ru2 Ru1 96.35(10) . . y
O3 Ru2 Ru1 84.54(7) . . y
O4 Ru2 Ru1 83.83(6) . . y
C17 Ru2 Ru1 158.74(8) 2 . y
C8 Ru2 C18 75.38(12) . 2 y
C7 Ru2 C18 103.53(12) . 2 y
O3 Ru2 C18 76.11(10) . 2 y
O4 Ru2 C18 105.16(9) . 2 y
C17 Ru2 C18 29.33(10) 2 2 y
Ru1 Ru2 C18 157.06(7) . 2 y
C8 Ru2 C22 107.59(11) . 2 y
C7 Ru2 C22 71.52(11) . 2 y
O3 Ru2 C22 106.69(9) . 2 y
O4 Ru2 C22 75.06(9) . 2 y
C17 Ru2 C22 25.28(10) 2 2 y
Ru1 Ru2 C22 154.14(6) . 2 y
C18 Ru2 C22 47.04(9) 2 2 y
C8 Ru2 C19 62.58(11) . 2 y
C7 Ru2 C19 87.12(12) . 2 y
O3 Ru2 C19 93.03(9) . 2 y
O4 Ru2 C19 119.00(8) . 2 y
C17 Ru2 C19 41.48(9) 2 2 y
Ru1 Ru2 C19 156.55(5) . 2 y
C18 Ru2 C19 20.13(9) 2 2 y
C22 Ru2 C19 48.29(8) 2 2 y
C1 O3 Ru2 121.1(2) . . n
C2 O4 Ru2 121.1(2) . . n
O7 C7 Ru2 179.4(3) . . n
O8 C8 Ru2 179.9(4) . . n
O1 C1 O3 129.1(3) . . n
O1 C1 C3 117.3(3) . . n
O3 C1 C3 113.6(3) . . n
F3 C3 F1 111.2(4) . . n
F3 C3 F2 106.0(4) . . n
F1 C3 F2 108.7(4) . . n
F3 C3 C1 113.9(4) . . n
F1 C3 C1 109.7(4) . . n
F2 C3 C1 107.1(3) . . n
O4 C2 O2 129.1(3) . . n
O4 C2 C4 116.9(3) . . n
O2 C2 C4 114.0(3) . . n
F6 C4 F4 108.7(3) . . n
F6 C4 F5 106.8(3) . . n
F4 C4 F5 107.7(3) . . n
F6 C4 C2 109.7(3) . . n
F4 C4 C2 110.9(3) . . n
F5 C4 C2 112.9(3) . . n
C10 C9 C14 121.1(3) . . y
C10 C9 Ru1 85.1(2) . . y
C14 C9 Ru1 103.7(2) . . y
C10 C9 H9 118(2) . . n
C14 C9 H9 121(2) . . n
Ru1 C9 H9 85(2) . . n
C9 C10 C11 121.1(3) . . y
C9 C10 Ru1 65.53(18) . . y
C11 C10 Ru1 113.3(2) . . y
C9 C10 H10 118(2) . . n
C11 C10 H10 121(2) . . n
Ru1 C10 H10 92(2) . . n
C12 C11 C10 117.5(3) . . y
C12 C11 C15 121.5(3) . . y
C10 C11 C15 121.0(3) . . y
C12 C11 Ru1 97.2(2) . . y
C10 C11 Ru1 45.96(16) . . y
C15 C11 Ru1 123.8(2) . . y
C11 C12 C13 121.3(3) . . y
C11 C12 H12 121(2) . . n
C13 C12 H12 118(2) . . n
C14 C13 C12 121.4(3) . . y
C14 C13 H13 122(3) . . n
C12 C13 H13 117(3) . . n
C11 C15 C24 113.2(3) . . y
C11 C15 H15A 109(2) . . n
C24 C15 H15A 109(2) . . n
C11 C15 H15B 107(2) . . n
C24 C15 H15B 111(2) . . n
H15A C15 H15B 107(3) . . n
C18 C17 C22 120.4(3) . . y
C18 C17 Ru2 87.4(2) . 2_545 y
C22 C17 Ru2 104.0(2) . 2_545 y
C18 C17 H17 122(2) . . n
C22 C17 H17 118(2) . . n
Ru2 C17 H17 84(2) 2_545 . n
C19 C18 C17 121.6(3) . . y
C19 C18 H18 119(2) . . n
C17 C18 H18 119(2) . . n
C19 C20 C21 122.1(3) . . y
C19 C20 H20 121(3) . . n
C21 C20 H20 117(3) . . n
C22 C21 C20 121.0(3) . . y
C22 C21 H21 117(2) . . n
C20 C21 H21 121(2) . . n
C21 C22 C17 117.6(3) . . y
C21 C22 C24 121.5(3) . . y
C17 C22 C24 120.9(3) . . y
C22 C24 C15 113.1(3) . . y
C22 C24 H24A 107(2) . . n
C15 C24 H24A 112(2) . . n
C22 C24 H24B 109(2) . . n
C15 C24 H24B 109(2) . . n
H24A C24 H24B 106(3) . . n
C30 C25 C26 118.9(4) . . y
C30 C25 H25 112(3) . . n
C26 C25 H25 129(3) . . n
C27 C26 C25 118.9(4) . . y
C27 C26 H26 120.5 . . n
C25 C26 H26 120.5 . . n
C27 C28 C29 121.3(5) . . y
C27 C28 H28 119.3 . . n
C29 C28 H28 119.3 . . n
C28 C29 C30 124.3(5) . . y
C28 C29 H29 118(3) . . n
C30 C29 H29 118(3) . . n
C29 C30 C25 115.8(4) . . y
C29 C30 C32 125.6(4) . . y
C25 C30 C32 118.6(4) . . y
C16 C32 C30 115.3(4) . . y
C16 C32 H32A 108.5 . . n
C30 C32 H32A 108.5 . . n
C16 C32 H32B 108.5 . . n
C30 C32 H32B 108.5 . . n
H32A C32 H32B 107.5 . . n
C32 C16 C14 116.6(4) . . y
C32 C16 H16A 108.1 . . n
C14 C16 H16A 108.1 . . n
C32 C16 H16B 108.1 . . n
C14 C16 H16B 108.1 . . n
H16A C16 H16B 107.3 . . n
C13 C14 C9 117.5(3) . . y
C13 C14 C16 119.3(4) . . y
C9 C14 C16 123.1(4) . . y
C13 C14 Ru1 107.1(2) . . y
C9 C14 Ru1 51.21(17) . . y
C16 C14 Ru1 112.0(3) . . y
C16X C32X H32C 106.2 . . n
C16X C32X H32D 106.2 . . n
H32C C32X H32D 106.4 . . n
C32X C16X H16C 108.5 . . n
C32X C16X H16D 108.5 . . n
H16C C16X H16D 107.5 . . n
C28 C27 C26 120.7(5) . . y
C28 C27 C31 120.1(5) . . y
C26 C27 C31 119.2(5) . . y
C23 C31 C27 114.3(4) . . y
C23 C31 H31A 108.7 . . n
C27 C31 H31A 108.7 . . n
C23 C31 H31B 108.7 . . n
C27 C31 H31B 108.7 . . n
H31A C31 H31B 107.6 . . n
C31 C23 C19 116.8(4) . . y
C31 C23 H23A 108.1 . . n
C19 C23 H23A 108.1 . . n
C31 C23 H23B 108.1 . . n
C19 C23 H23B 108.1 . . n
H23A C23 H23B 107.3 . . n
C20 C19 C18 117.3(3) . . y
C20 C19 C23 119.5(4) . . y
C18 C19 C23 123.2(4) . . y
C23X C31X H31C 108.8 . . n
C23X C31X H31D 108.8 . . n
H31C C31X H31D 107.7 . . n
C31X C23X H23C 108.2 . . n
C31X C23X H23D 108.2 . . n
H23C C23X H23D 107.3 . . n
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 C5 1.847(3) . y
Ru1 C6 1.851(3) . y
Ru1 O2 2.134(2) . y
Ru1 O1 2.142(2) . y
Ru1 C9 2.579(3) . y
Ru1 Ru2 2.6688(4) . y
Ru1 C10 2.823(3) . y
Ru1 C14 3.214(3) . y
Ru1 C11 3.608(3) . y
O1 C1 1.238(4) . n
O2 C2 1.239(4) . n
C5 O5 1.137(4) . n
C6 O6 1.137(4) . n
Ru2 C8 1.845(3) . y
Ru2 C7 1.849(3) . y
Ru2 O3 2.127(2) . y
Ru2 O4 2.149(2) . y
Ru2 C17 2.546(3) 2 y
Ru2 C18 2.848(3) 2 y
Ru2 C22 3.190(3) 2 y
Ru2 C19 3.663(3) 2 y
O3 C1 1.239(4) . n
O4 C2 1.230(4) . n
C7 O7 1.145(4) . n
C8 O8 1.142(4) . n
C1 C3 1.537(5) . n
C3 F3 1.306(5) . n
C3 F1 1.329(5) . n
C3 F2 1.441(6) . n
C2 C4 1.542(4) . n
C4 F6 1.319(5) . n
C4 F4 1.324(5) . n
C4 F5 1.325(4) . n
C9 C10 1.390(5) . y
C9 C14 1.401(5) . y
C9 H9 0.84(4) . n
C10 C11 1.393(5) . y
C10 H10 0.92(4) . n
C11 C12 1.384(5) . y
C11 C15 1.518(5) . y
C12 C13 1.397(5) . y
C12 H12 0.95(4) . n
C13 C14 1.376(5) . y
C13 H13 0.95(4) . n
C15 C24 1.530(5) . y
C15 H15A 0.95(4) . n
C15 H15B 0.96(4) . n
C17 C18 1.397(5) . y
C17 C22 1.404(5) . y
C17 Ru2 2.546(3) 2_545 n
C17 H17 0.91(4) . n
C18 C19 1.392(5) . y
C18 H18 0.94(4) . n
C20 C19 1.377(5) . y
C20 C21 1.390(5) . y
C20 H20 0.88(4) . n
C21 C22 1.386(5) . y
C21 H21 0.96(4) . n
C22 C24 1.509(5) . y
C24 H24A 0.99(4) . n
C24 H24B 0.95(4) . n
C25 C30 1.395(7) . y
C25 C26 1.454(8) . y
C25 H25 0.74(4) . n
C26 C27 1.358(7) . y
C26 H26 0.9500 . n
C28 C27 1.304(7) . y
C28 C29 1.339(7) . y
C28 H28 0.9500 . n
C29 C30 1.364(6) . y
C29 H29 0.94(5) . n
C30 C32 1.505(6) . y
C32 C16 1.472(7) . y
C32 H32A 0.9900 . n
C32 H32B 0.9900 . n
C16 C14 1.517(6) . y
C16 H16A 0.9900 . n
C16 H16B 0.9900 . n
C32X C16X 1.438(16) . n
C32X H32C 0.9900 . n
C32X H32D 0.9900 . n
C16X H16C 0.9900 . n
C16X H16D 0.9900 . n
C27 C31 1.585(7) . y
C31 C23 1.457(7) . y
C31 H31A 0.9900 . n
C31 H31B 0.9900 . n
C23 C19 1.514(6) . y
C23 H23A 0.9900 . n
C23 H23B 0.9900 . n
C31X C23X 1.428(16) . n
C31X H31C 0.9900 . n
C31X H31D 0.9900 . n
C23X H23C 0.9900 . n
C23X H23D 0.9900 . n
