# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_c2m
_database_code_depnum_ccdc_archive 'CCDC 2416552'
loop_
_audit_author_name
_audit_author_address
'Bin Liu'
;Northwest University
China
;
_audit_update_record             
;
2025-11-09 deposited with the CCDC.	2026-01-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT601_c2m                 
;
PROBLEM: Unit Cell Contains Solvent Accessible VOIDS <= 113 Ang**3
RESPONSE: TG data indicate the absence of solvent molecules
;
# end Validation Reply Form  
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C13 H20 F6 O10 Ru2'
_chemical_formula_sum            'C13 H20 F6 O10 Ru2'
_chemical_formula_weight         652.43

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'C 2/m'
_space_group_name_Hall           '-C 2y'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'

_cell_length_a                   14.9664(5)
_cell_length_b                   12.5079(4)
_cell_length_c                   12.8946(6)
_cell_angle_alpha                90
_cell_angle_beta                 112.313(2)
_cell_angle_gamma                90
_cell_volume                     2233.11(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    1945
_cell_measurement_theta_min      3.223
_cell_measurement_theta_max      56.954

_exptl_crystal_description       block
_exptl_crystal_colour            red-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.941
_exptl_crystal_F_000             1280
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.447
_shelx_estimated_absorpt_T_min   0.714
_shelx_estimated_absorpt_T_max   0.846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.729
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8577
_diffrn_reflns_av_unetI/netI     0.0742
_diffrn_reflns_av_R_equivalents  0.0992
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.707
_diffrn_reflns_theta_max         26.402
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             2370
_reflns_number_gt                1588
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0564P)²+8.8447P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2370
_refine_ls_number_parameters     157
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0967
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.1294
_refine_ls_wR_factor_gt          0.1054
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.090
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.32314(5) 0.000000 0.94402(6) 0.0248(2) Uani 1 2 d S T P . .
Ru2 Ru 0.15402(5) 0.000000 0.80897(6) 0.0255(2) Uani 1 2 d S T P . .
O1 O 0.2347(3) 0.1250(4) 0.8858(3) 0.0299(10) Uani 1 1 d . . . . .
O2 O 0.3640(4) 0.000000 0.8071(5) 0.0316(15) Uani 1 2 d S T P . .
O3 O 0.2083(4) 0.000000 0.6833(5) 0.0324(15) Uani 1 2 d S T P . .
O4 O 0.2676(5) 0.000000 1.0689(5) 0.0379(16) Uani 1 2 d S T P . .
O5 O 0.1116(4) 0.000000 0.9431(5) 0.0361(16) Uani 1 2 d S T P . .
O6 O 0.4247(3) 0.1099(4) 1.0132(4) 0.0360(11) Uani 1 1 d . . . . .
H6E H 0.478651 0.078983 1.027735 0.043 Uiso 0.5 1 d R U P . .
O7 O 0.0573(3) 0.1146(4) 0.7275(4) 0.0332(11) Uani 1 1 d . . . . .
F1 F -0.0224(3) 0.2848(4) 0.6136(4) 0.0627(13) Uani 1 1 d . . . . .
F2 F -0.1413(4) 0.2168(5) 0.6410(5) 0.0839(18) Uani 1 1 d . . . . .
F3 F -0.1249(3) 0.1920(4) 0.4849(4) 0.0702(15) Uani 1 1 d . . . . .
C1 C 0.2996(7) 0.000000 0.7087(8) 0.029(2) Uani 1 2 d S T P . .
C2 C 0.3331(7) 0.000000 0.6131(8) 0.039(2) Uani 1 2 d S T P . .
H2A H 0.278165 0.000000 0.543441 0.058 Uiso 1 2 d R U P . .
H2B H 0.371335 0.062670 0.617301 0.058 Uiso 0.5 1 d R U P . .
H2C H 0.371335 -0.062670 0.617301 0.058 Uiso 0.5 1 d R U P . .
C3 C 0.1759(7) 0.000000 1.0426(9) 0.039(2) Uani 1 2 d S T P . .
C4 C 0.1404(8) 0.000000 1.1366(9) 0.052(3) Uani 1 2 d S T P . .
H4A H 0.194612 0.000000 1.206867 0.077 Uiso 1 2 d R U P . .
H4B H 0.101922 0.062670 1.131667 0.077 Uiso 0.5 1 d R U P . .
H4C H 0.101922 -0.062670 1.131667 0.077 Uiso 0.5 1 d R U P . .
C5 C 0.4327(5) 0.1673(7) 1.1110(6) 0.056(2) Uani 1 1 d . . . . .
H5A H 0.485962 0.216220 1.130287 0.085 Uiso 1 1 d R U . . .
H5B H 0.374232 0.206320 1.098237 0.085 Uiso 1 1 d R U . . .
H5C H 0.443682 0.117510 1.171248 0.085 Uiso 1 1 d R U . . .
C6 C 0.2587(5) 0.2102(6) 0.8252(6) 0.0386(17) Uani 1 1 d . . . . .
H6A H 0.208498 0.263104 0.803899 0.058 Uiso 1 1 d R U . . .
H6B H 0.318598 0.242434 0.872429 0.058 Uiso 1 1 d R U . . .
H6C H 0.265228 0.181784 0.759269 0.058 Uiso 1 1 d R U . . .
C7 C -0.0202(5) 0.0964(6) 0.6438(6) 0.0350(16) Uani 1 1 d . . . . .
C8 C -0.0596(7) 0.000000 0.5954(8) 0.040(3) Uani 1 2 d S T P . .
H8A H -0.120572 0.000000 0.533028 0.048 Uiso 1 2 d R U P . .
C9 C -0.0766(5) 0.1974(6) 0.5943(6) 0.0422(18) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O6 1.992(4) 6 ?
Ru1 O6 1.992(5) . ?
Ru1 O1 2.001(4) 6 ?
Ru1 O1 2.001(4) . ?
Ru1 O4 2.073(7) . ?
Ru1 O2 2.076(6) . ?
Ru1 Ru2 2.4683(10) . ?
Ru2 O1 1.994(4) 6 ?
Ru2 O1 1.994(4) . ?
Ru2 O7 2.025(4) 6 ?
Ru2 O7 2.025(4) . ?
Ru2 O5 2.056(6) . ?
Ru2 O3 2.070(6) . ?
O1 C6 1.445(8) . ?
O2 C1 1.269(11) . ?
O3 C1 1.278(10) . ?
O4 C3 1.284(10) . ?
O5 C3 1.278(11) . ?
O6 C5 1.415(8) . ?
O6 H6E 0.8500 . ?
O7 C7 1.269(7) . ?
F1 C9 1.328(9) . ?
F2 C9 1.342(8) . ?
F3 C9 1.320(8) . ?
C1 C2 1.497(12) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.496(13) . ?
C4 H4A 0.9599 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9599 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.382(8) . ?
C7 C9 1.520(10) . ?
C8 H8A 0.9600 . ?

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
O6 Ru1 O6 87.3(3) 6 . ?
O6 Ru1 O1 84.96(18) 6 6 ?
O6 Ru1 O1 172.24(18) . 6 ?
O6 Ru1 O1 172.24(18) 6 . ?
O6 Ru1 O1 84.96(18) . . ?
O1 Ru1 O1 102.8(2) 6 . ?
O6 Ru1 O4 96.57(18) 6 . ?
O6 Ru1 O4 96.58(18) . . ?
O1 Ru1 O4 83.59(16) 6 . ?
O1 Ru1 O4 83.59(16) . . ?
O6 Ru1 O2 87.71(17) 6 . ?
O6 Ru1 O2 87.71(17) . . ?
O1 Ru1 O2 92.72(16) 6 . ?
O1 Ru1 O2 92.72(16) . . ?
O4 Ru1 O2 174.1(2) . . ?
O6 Ru1 Ru2 136.04(14) 6 . ?
O6 Ru1 Ru2 136.04(14) . . ?
O1 Ru1 Ru2 51.71(12) 6 . ?
O1 Ru1 Ru2 51.72(12) . . ?
O4 Ru1 Ru2 86.68(18) . . ?
O2 Ru1 Ru2 87.38(17) . . ?
O1 Ru2 O1 103.3(2) 6 . ?
O1 Ru2 O7 83.22(17) 6 6 ?
O1 Ru2 O7 172.65(17) . 6 ?
O1 Ru2 O7 172.65(17) 6 . ?
O1 Ru2 O7 83.22(17) . . ?
O7 Ru2 O7 90.1(3) 6 . ?
O1 Ru2 O5 84.50(16) 6 . ?
O1 Ru2 O5 84.50(16) . . ?
O7 Ru2 O5 92.78(17) 6 . ?
O7 Ru2 O5 92.78(17) . . ?
O1 Ru2 O3 92.60(16) 6 . ?
O1 Ru2 O3 92.60(16) . . ?
O7 Ru2 O3 90.54(17) 6 . ?
O7 Ru2 O3 90.54(17) . . ?
O5 Ru2 O3 175.3(2) . . ?
O1 Ru2 Ru1 51.97(12) 6 . ?
O1 Ru2 Ru1 51.97(12) . . ?
O7 Ru2 Ru1 134.91(13) 6 . ?
O7 Ru2 Ru1 134.91(13) . . ?
O5 Ru2 Ru1 88.16(17) . . ?
O3 Ru2 Ru1 87.14(17) . . ?
C6 O1 Ru2 122.5(4) . . ?
C6 O1 Ru1 120.9(4) . . ?
Ru2 O1 Ru1 76.31(17) . . ?
C1 O2 Ru1 119.5(6) . . ?
C1 O3 Ru2 119.9(6) . . ?
C3 O4 Ru1 119.9(6) . . ?
C3 O5 Ru2 119.3(6) . . ?
C5 O6 Ru1 122.8(4) . . ?
C5 O6 H6E 106.4 . . ?
Ru1 O6 H6E 106.5 . . ?
C7 O7 Ru2 123.8(4) . . ?
O2 C1 O3 126.0(8) . . ?
O2 C1 C2 117.3(8) . . ?
O3 C1 C2 116.7(8) . . ?
C1 C2 H2A 109.6 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.4 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O5 C3 O4 125.9(9) . . ?
O5 C3 C4 116.8(8) . . ?
O4 C3 C4 117.4(9) . . ?
C3 C4 H4A 109.3 . . ?
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 . . ?
O6 C5 H5A 109.6 . . ?
O6 C5 H5B 110.0 . . ?
H5A C5 H5B 109.5 . . ?
O6 C5 H5C 108.8 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O1 C6 H6A 109.5 . . ?
O1 C6 H6B 109.3 . . ?
H6A C6 H6B 109.5 . . ?
O1 C6 H6C 109.6 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O7 C7 C8 129.5(7) . . ?
O7 C7 C9 113.0(6) . . ?
C8 C7 C9 117.5(6) . . ?
C7 C8 C7 121.3(9) . 6 ?
C7 C8 H8A 119.0 . . ?
C7 C8 H8A 119.0 6 . ?
F3 C9 F1 106.9(6) . . ?
F3 C9 F2 107.1(6) . . ?
F1 C9 F2 105.2(6) . . ?
F3 C9 C7 113.4(6) . . ?
F1 C9 C7 113.8(6) . . ?
F2 C9 C7 110.0(6) . . ?

_refine_diff_density_max         2.409
_refine_diff_density_min         -1.424
_refine_diff_density_rms         0.207

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2416553'
loop_
_audit_author_name
_audit_author_address
'Bin Liu'
;Northwest University
China
;
_audit_update_record             
;
2026-01-12 deposited with the CCDC.	2026-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H14 F12 O10 Ru2'
_chemical_formula_sum            'C16 H14 F12 O10 Ru2'
_chemical_formula_weight         796.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -0.0760 2.5955 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.2457(9)
_cell_length_b                   9.0514(5)
_cell_length_c                   18.7279(11)
_cell_angle_alpha                90
_cell_angle_beta                 94.729(2)
_cell_angle_gamma                90
_cell_volume                     2406.6(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9925
_cell_measurement_theta_min      4.744
_cell_measurement_theta_max      56.986

_exptl_crystal_description       block
_exptl_crystal_colour            red-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.198
_exptl_crystal_F_000             1544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    7.779
_shelx_estimated_absorpt_T_min   0.247
_shelx_estimated_absorpt_T_max   0.388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.248
_exptl_absorpt_correction_T_max  0.390
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            4884
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.708
_diffrn_reflns_theta_max         57.549
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             4884
_reflns_number_gt                4068
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0087P)²+108.3516P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4884
_refine_ls_number_parameters     362
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0667
_refine_ls_wR_factor_ref         0.1683
_refine_ls_wR_factor_gt          0.1601
_refine_ls_goodness_of_fit_ref   0.906
_refine_ls_restrained_S_all      0.906
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.49384(5) 0.06393(9) 0.44190(4) 0.01611(19) Uani 1 1 d . . . . .
Ru2 Ru 0.97838(5) 0.87373(9) 0.51586(4) 0.0202(2) Uani 1 1 d . . . . .
C1 C 0.3141(7) 0.0587(13) 0.5172(5) 0.026(2) Uani 1 1 d . . . . .
H1A H 0.272883 -0.004854 0.541283 0.039 Uiso 1 1 d R U . . .
H1B H 0.337894 0.134875 0.549513 0.039 Uiso 1 1 d R U . . .
H1C H 0.279824 0.102846 0.476373 0.039 Uiso 1 1 d R U . . .
C2 C 0.4998(7) -0.2568(11) 0.4344(5) 0.023(2) Uani 1 1 d . . . . .
C3 C 0.4933(8) -0.4060(12) 0.3985(6) 0.028(2) Uani 1 1 d . . . . .
H3A H 0.495736 -0.483202 0.433721 0.043 Uiso 1 1 d R U . . .
H3B H 0.435237 -0.412542 0.368792 0.043 Uiso 1 1 d R U . . .
H3C H 0.545318 -0.416573 0.369322 0.043 Uiso 1 1 d R U . . .
C4 C 0.3027(9) 0.2670(13) 0.2809(6) 0.031(3) Uani 1 1 d . . . . .
C5 C 0.3965(7) 0.2155(11) 0.3171(5) 0.020(2) Uani 1 1 d . . . . .
C6 C 0.4802(8) 0.2593(12) 0.2898(5) 0.022(2) Uani 1 1 d . . . . .
H6A H 0.475803 0.317764 0.246910 0.027 Uiso 1 1 d R U . . .
C7 C 0.5680(8) 0.2209(11) 0.3206(5) 0.021(2) Uani 1 1 d . . . . .
C8 C 0.6548(8) 0.2709(14) 0.2846(5) 0.030(3) Uani 1 1 d . . . . .
C9 C 0.8982(9) 0.9707(14) 0.3690(5) 0.032(3) Uani 1 1 d . . . . .
H9A H 0.865199 1.048492 0.342716 0.048 Uiso 1 1 d R U . . .
H9B H 0.958839 0.956854 0.351077 0.048 Uiso 1 1 d R U . . .
H9C H 0.862638 0.880813 0.363417 0.048 Uiso 1 1 d R U . . .
C10 C 0.8793(8) 1.1005(13) 0.5864(5) 0.025(2) Uani 1 1 d . . . . .
C11 C 0.8029(8) 1.1591(15) 0.6288(7) 0.037(3) Uani 1 1 d . . . . .
H11A H 0.770762 1.078693 0.649705 0.056 Uiso 1 1 d R U . . .
H11B H 0.830196 1.222312 0.666063 0.056 Uiso 1 1 d R U . . .
H11C H 0.758866 1.214511 0.597804 0.056 Uiso 1 1 d R U . . .
C12 C 0.7690(8) 0.5323(13) 0.4786(6) 0.031(3) Uani 1 1 d . . . . .
C13 C 0.8561(7) 0.6136(12) 0.5100(5) 0.024(2) Uani 1 1 d . . . . .
C14 C 0.9036(8) 0.5483(13) 0.5703(6) 0.031(2) Uani 1 1 d . . . . .
H14A H 0.881099 0.455854 0.587307 0.037 Uiso 1 1 d R U . . .
C15 C 0.9820(8) 0.6101(13) 0.6079(6) 0.027(2) Uani 1 1 d . . . . .
C16 C 1.0273(9) 0.5326(14) 0.6735(6) 0.032(3) Uani 1 1 d . . . . .
F1 F 0.2393(6) 0.1643(11) 0.2767(7) 0.089(4) Uani 1 1 d . . . . .
F2 F 0.2693(7) 0.3765(13) 0.3140(6) 0.084(4) Uani 1 1 d . . . . .
F3 F 0.3106(7) 0.3102(16) 0.2144(5) 0.093(4) Uani 1 1 d . . . . .
F4 F 0.6443(7) 0.4032(11) 0.2576(6) 0.085(4) Uani 1 1 d . . . . .
F5 F 0.7304(6) 0.2719(14) 0.3271(4) 0.079(4) Uani 1 1 d . . . . .
F6 F 0.6709(7) 0.1813(12) 0.2319(5) 0.078(3) Uani 1 1 d . . . . .
F7 F 0.7834(6) 0.3917(9) 0.4676(5) 0.059(2) Uani 1 1 d . . . . .
F8 F 0.7009(5) 0.5421(12) 0.5232(5) 0.063(3) Uani 1 1 d . . . . .
F9 F 0.7337(5) 0.5918(9) 0.4168(4) 0.0456(19) Uani 1 1 d . . . . .
F10 F 0.9740(7) 0.4297(11) 0.6984(5) 0.073(3) Uani 1 1 d . . . . .
F11 F 1.0472(10) 0.6261(11) 0.7260(4) 0.092(4) Uani 1 1 d . . . . .
F12 F 1.1065(8) 0.4721(15) 0.6617(5) 0.098(4) Uani 1 1 d . . . . .
O1 O 0.3907(4) -0.0229(8) 0.4938(3) 0.0187(14) Uani 1 1 d . . . . .
O2 O 0.4964(5) -0.1434(8) 0.3952(3) 0.0220(15) Uani 1 1 d . . . . .
O3 O 0.5068(5) -0.2600(8) 0.5030(4) 0.0221(14) Uani 1 1 d . . . . .
O4 O 0.3878(5) 0.1362(8) 0.3721(3) 0.0207(15) Uani 1 1 d . . . . .
O5 O 0.5874(5) 0.1458(8) 0.3773(3) 0.0203(15) Uani 1 1 d . . . . .
O6 O 0.9128(5) 1.0091(9) 0.4440(4) 0.0231(15) Uani 1 1 d . . . . .
O7 O 0.8885(5) 0.9643(8) 0.5847(4) 0.0241(16) Uani 1 1 d . . . . .
O8 O 0.9268(5) 1.1971(9) 0.5558(4) 0.0258(16) Uani 1 1 d . . . . .
O9 O 0.8758(5) 0.7314(8) 0.4804(3) 0.0222(15) Uani 1 1 d . . . . .
O10 O 1.0245(5) 0.7278(8) 0.5933(4) 0.0249(16) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.988(6) . ?
Ru1 O1 1.992(6) 3_656 ?
Ru1 O5 2.013(6) . ?
Ru1 O4 2.024(7) . ?
Ru1 O3 2.053(7) 3_656 ?
Ru1 O2 2.072(7) . ?
Ru1 Ru1 2.4584(14) 3_656 ?
Ru2 O6 1.975(7) 3_776 ?
Ru2 O6 1.994(7) . ?
Ru2 O9 2.019(7) . ?
Ru2 O10 2.030(7) . ?
Ru2 O7 2.061(7) . ?
Ru2 O8 2.082(7) 3_776 ?
Ru2 Ru2 2.4532(16) 3_776 ?
C1 O1 1.419(12) . ?
C1 H1A 0.9599 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9599 . ?
C2 O2 1.261(12) . ?
C2 O3 1.282(12) . ?
C2 C3 1.509(14) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9601 . ?
C4 F2 1.281(14) . ?
C4 F1 1.294(15) . ?
C4 F3 1.319(13) . ?
C4 C5 1.520(15) . ?
C5 O4 1.269(11) . ?
C5 C6 1.394(15) . ?
C6 C7 1.379(15) . ?
C6 H6A 0.9599 . ?
C7 O5 1.272(12) . ?
C7 C8 1.525(15) . ?
C8 F4 1.303(14) . ?
C8 F5 1.286(13) . ?
C8 F6 1.312(14) . ?
C9 O6 1.446(12) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9601 . ?
C9 H9C 0.9599 . ?
C10 O7 1.241(14) . ?
C10 O8 1.270(13) . ?
C10 C11 1.497(15) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9601 . ?
C11 H11C 0.9600 . ?
C12 F7 1.309(14) . ?
C12 F8 1.335(14) . ?
C12 F9 1.336(13) . ?
C12 C13 1.519(14) . ?
C13 O9 1.244(13) . ?
C13 C14 1.397(15) . ?
C14 C15 1.388(15) . ?
C14 H14A 0.9600 . ?
C15 O10 1.266(13) . ?
C15 C16 1.512(16) . ?
C16 F12 1.289(15) . ?
C16 F10 1.311(14) . ?
C16 F11 1.310(14) . ?

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
O1 Ru1 O1 103.7(2) . 3_656 ?
O1 Ru1 O5 172.4(3) . . ?
O1 Ru1 O5 83.0(3) 3_656 . ?
O1 Ru1 O4 84.3(3) . . ?
O1 Ru1 O4 170.6(3) 3_656 . ?
O5 Ru1 O4 89.4(3) . . ?
O1 Ru1 O3 93.6(3) . 3_656 ?
O1 Ru1 O3 84.0(3) 3_656 3_656 ?
O5 Ru1 O3 90.8(3) . 3_656 ?
O4 Ru1 O3 90.6(3) . 3_656 ?
O1 Ru1 O2 83.6(3) . . ?
O1 Ru1 O2 92.5(3) 3_656 . ?
O5 Ru1 O2 92.5(3) . . ?
O4 Ru1 O2 93.3(3) . . ?
O3 Ru1 O2 174.8(3) 3_656 . ?
O1 Ru1 Ru1 51.91(18) . 3_656 ?
O1 Ru1 Ru1 51.79(18) 3_656 3_656 ?
O5 Ru1 Ru1 134.62(19) . 3_656 ?
O4 Ru1 Ru1 136.0(2) . 3_656 ?
O3 Ru1 Ru1 88.01(19) 3_656 3_656 ?
O2 Ru1 Ru1 86.84(18) . 3_656 ?
O6 Ru2 O6 103.6(2) 3_776 . ?
O6 Ru2 O9 172.7(3) 3_776 . ?
O6 Ru2 O9 83.3(3) . . ?
O6 Ru2 O10 83.1(3) 3_776 . ?
O6 Ru2 O10 170.9(3) . . ?
O9 Ru2 O10 90.1(3) . . ?
O6 Ru2 O7 93.3(3) 3_776 . ?
O6 Ru2 O7 84.1(3) . . ?
O9 Ru2 O7 89.4(3) . . ?
O10 Ru2 O7 89.6(3) . . ?
O6 Ru2 O8 83.1(3) 3_776 3_776 ?
O6 Ru2 O8 92.7(3) . 3_776 ?
O9 Ru2 O8 94.7(3) . 3_776 ?
O10 Ru2 O8 94.1(3) . 3_776 ?
O7 Ru2 O8 174.5(3) . 3_776 ?
O6 Ru2 Ru2 52.2(2) 3_776 3_776 ?
O6 Ru2 Ru2 51.5(2) . 3_776 ?
O9 Ru2 Ru2 134.8(2) . 3_776 ?
O10 Ru2 Ru2 134.9(2) . 3_776 ?
O7 Ru2 Ru2 87.8(2) . 3_776 ?
O8 Ru2 Ru2 86.7(2) 3_776 3_776 ?
O1 C1 H1A 110.4 . . ?
O1 C1 H1B 109.1 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 108.8 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 O3 126.8(10) . . ?
O2 C2 C3 118.1(9) . . ?
O3 C2 C3 115.1(9) . . ?
C2 C3 H3A 110.3 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 108.8 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
F2 C4 F1 107.5(12) . . ?
F2 C4 F3 106.9(12) . . ?
F1 C4 F3 105.5(11) . . ?
F2 C4 C5 111.7(9) . . ?
F1 C4 C5 113.0(10) . . ?
F3 C4 C5 111.8(10) . . ?
O4 C5 C6 127.0(9) . . ?
O4 C5 C4 113.2(9) . . ?
C6 C5 C4 119.7(9) . . ?
C7 C6 C5 123.3(9) . . ?
C7 C6 H6A 118.9 . . ?
C5 C6 H6A 117.8 . . ?
O5 C7 C6 127.7(9) . . ?
O5 C7 C8 113.6(9) . . ?
C6 C7 C8 118.7(9) . . ?
F4 C8 F5 107.3(11) . . ?
F4 C8 F6 107.3(10) . . ?
F5 C8 F6 106.3(11) . . ?
F4 C8 C7 111.9(10) . . ?
F5 C8 C7 113.3(8) . . ?
F6 C8 C7 110.3(10) . . ?
O6 C9 H9A 110.3 . . ?
O6 C9 H9B 108.1 . . ?
H9A C9 H9B 109.5 . . ?
O6 C9 H9C 110.0 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O7 C10 O8 127.7(10) . . ?
O7 C10 C11 116.6(10) . . ?
O8 C10 C11 115.7(10) . . ?
C10 C11 H11A 109.9 . . ?
C10 C11 H11B 109.1 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.4 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
F7 C12 F8 107.1(11) . . ?
F7 C12 F9 107.9(10) . . ?
F8 C12 F9 105.9(10) . . ?
F7 C12 C13 113.5(10) . . ?
F8 C12 C13 109.8(9) . . ?
F9 C12 C13 112.2(10) . . ?
O9 C13 C14 127.7(10) . . ?
O9 C13 C12 116.6(9) . . ?
C14 C13 C12 115.7(10) . . ?
C15 C14 C13 123.7(11) . . ?
C15 C14 H14A 117.3 . . ?
C13 C14 H14A 119.0 . . ?
O10 C15 C14 127.4(10) . . ?
O10 C15 C16 112.7(10) . . ?
C14 C15 C16 119.8(10) . . ?
F12 C16 F10 107.5(12) . . ?
F12 C16 F11 105.3(12) . . ?
F10 C16 F11 106.8(10) . . ?
F12 C16 C15 112.3(10) . . ?
F10 C16 C15 113.4(10) . . ?
F11 C16 C15 111.1(10) . . ?
C1 O1 Ru1 124.3(6) . . ?
C1 O1 Ru1 121.9(6) . 3_656 ?
Ru1 O1 Ru1 76.3(2) . 3_656 ?
C2 O2 Ru1 119.5(6) . . ?
C2 O3 Ru1 118.7(6) . 3_656 ?
C5 O4 Ru1 126.1(6) . . ?
C7 O5 Ru1 126.1(7) . . ?
C9 O6 Ru2 122.9(6) . 3_776 ?
C9 O6 Ru2 122.0(7) . . ?
Ru2 O6 Ru2 76.4(2) 3_776 . ?
C10 O7 Ru2 118.9(7) . . ?
C10 O8 Ru2 118.5(7) . 3_776 ?
C13 O9 Ru2 125.6(6) . . ?
C15 O10 Ru2 124.7(7) . . ?

_refine_diff_density_max         1.910
_refine_diff_density_min         -1.400
_refine_diff_density_rms         0.221

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5tfacbing_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2518139'
loop_
_audit_author_name
_audit_author_address
'Bin Liu'
;Northwest University
China
;
_audit_update_record             
;
2026-01-09 deposited with the CCDC.	2026-01-14 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT149_5tfacbing_0m_a      
;
PROBLEM: s.u. on the   beta    Angle is Too Large .......       0.10 Degree
RESPONSE: low crystal quality resulted in the Alert problem
;
_vrf_PLAT213_5tfacbing_0m_a      
;
PROBLEM: Atom F1              has ADP max/min Ratio .....        4.8 prolat
RESPONSE: disordered CF3 groups resulted in the Alert problem
;
# end Validation Reply Form  
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H24 F6 O10 Ru2'
_chemical_formula_sum            'C18 H24 F6 O10 Ru2'
_chemical_formula_weight         716.51

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -0.0760 2.5955 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.408(19)
_cell_length_b                   17.66(4)
_cell_length_c                   8.367(19)
_cell_angle_alpha                90
_cell_angle_beta                 99.14(10)
_cell_angle_gamma                90
_cell_volume                     1227(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    8118
_cell_measurement_theta_min      4.615
_cell_measurement_theta_max      54.679

_exptl_crystal_description       block
_exptl_crystal_colour            red-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_F_000             708
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    7.340
_shelx_estimated_absorpt_T_min   0.183
_shelx_estimated_absorpt_T_max   0.308
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4490
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11801
_diffrn_reflns_av_unetI/netI     0.0940
_diffrn_reflns_av_R_equivalents  0.1389
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         4.356
_diffrn_reflns_theta_max         55.239
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             2311
_reflns_number_gt                1837
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0676P)²+32.3753P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0031(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2311
_refine_ls_number_parameters     191
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.1060
_refine_ls_R_factor_gt           0.0817
_refine_ls_wR_factor_ref         0.2071
_refine_ls_wR_factor_gt          0.1943
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.53372(9) 0.43654(5) 0.55413(11) 0.0270(4) Uani 1 1 d . . . . .
C1 C 0.1808(13) 0.4582(8) 0.4284(17) 0.039(3) Uani 1 1 d . . . . .
H1A H 0.107627 0.477765 0.338028 0.059 Uiso 1 1 d R U . . .
H1B H 0.160307 0.405235 0.440968 0.059 Uiso 1 1 d R U . . .
H1C H 0.165757 0.484745 0.524958 0.059 Uiso 1 1 d R U . . .
C2 C 0.3669(13) 0.5342(7) 0.7559(15) 0.032(3) Uani 1 1 d . . . . .
C3 C 0.2926(16) 0.5529(7) 0.9033(16) 0.040(3) Uani 1 1 d . . . . .
H3A H 0.212728 0.591435 0.873928 0.048 Uiso 1 1 d R U . . .
H3B H 0.374808 0.574016 0.983718 0.048 Uiso 1 1 d R U . . .
C4 C 0.2149(16) 0.4877(9) 0.9757(17) 0.047(4) Uani 1 1 d . . . . .
H4A H 0.171118 0.505212 1.068158 0.071 Uiso 1 1 d R U . . .
H4B H 0.130098 0.466914 0.897560 0.071 Uiso 1 1 d R U . . .
H4C H 0.294187 0.449273 1.008711 0.071 Uiso 1 1 d R U . . .
C5 C 0.9063(13) 0.2984(5) 0.8160(12) 0.035(3) Uani 1 1 d D . . . .
C6 C 0.7370(12) 0.3194(7) 0.7290(14) 0.027(3) Uani 1 1 d . . . . .
C7 C 0.6187(14) 0.2644(8) 0.6991(15) 0.037(3) Uani 1 1 d . . . . .
H7A H 0.644676 0.214428 0.740311 0.045 Uiso 1 1 d R U . . .
C8 C 0.4671(14) 0.2768(7) 0.6125(15) 0.031(3) Uani 1 1 d . . . . .
C9 C 0.3500(16) 0.2120(9) 0.5873(19) 0.044(3) Uani 1 1 d D . . . .
F1 F 1.0169(10) 0.3202(7) 0.7282(13) 0.058(3) Uani 0.75 1 d D . P . .
F2 F 0.9393(10) 0.3325(6) 0.9559(11) 0.046(3) Uani 0.75 1 d D . P . .
F3 F 0.9261(12) 0.2251(5) 0.8379(15) 0.059(3) Uani 0.75 1 d D . P . .
O1 O 0.3429(8) 0.4681(5) 0.3990(9) 0.0276(18) Uani 1 1 d . . . . .
O2 O 0.3639(9) 0.5841(4) 0.6504(9) 0.0254(17) Uani 1 1 d . . . . .
O3 O 0.4253(9) 0.4664(5) 0.7525(9) 0.0288(18) Uani 1 1 d . . . . .
O4 O 0.4194(9) 0.3364(5) 0.5380(9) 0.0286(18) Uani 1 1 d . . . . .
O5 O 0.7270(8) 0.3884(5) 0.6914(10) 0.0308(19) Uani 1 1 d . . . . .
F4 F 0.369(5) 0.160(3) 0.695(6) 0.112(19) Uani 0.25 1 d D . P . .
F5 F 0.326(7) 0.194(3) 0.436(3) 0.112(19) Uani 0.25 1 d D . P . .
F6 F 0.209(3) 0.240(3) 0.605(8) 0.12(2) Uani 0.25 1 d D . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.977(8) . ?
Ru1 O1 1.984(9) 3_666 ?
Ru1 O4 2.008(9) . ?
Ru1 O5 2.023(8) . ?
Ru1 O2 2.066(8) 3_666 ?
Ru1 O3 2.084(8) . ?
Ru1 Ru1 2.450(5) 3_666 ?
C1 O1 1.433(12) . ?
C1 H1A 0.9601 . ?
C1 H1B 0.9599 . ?
C1 H1C 0.9600 . ?
C2 O2 1.245(15) . ?
C2 O3 1.296(15) . ?
C2 C3 1.505(16) . ?
C3 C4 1.499(19) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C4 H4A 0.9599 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 F2 1.306(10) . ?
C5 F3 1.313(10) . ?
C5 F1 1.330(10) . ?
C5 C6 1.538(15) . ?
C6 O5 1.257(14) . ?
C6 C7 1.385(17) . ?
C7 C8 1.380(17) . ?
C7 H7A 0.9601 . ?
C8 O4 1.256(14) . ?
C8 C9 1.503(17) . ?
C9 F4 1.281(16) . ?
C9 F5 1.286(16) . ?
C9 F6 1.31(2) . ?

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
O1 Ru1 O1 103.6(3) . 3_666 ?
O1 Ru1 O4 82.8(3) . . ?
O1 Ru1 O4 172.3(3) 3_666 . ?
O1 Ru1 O5 170.6(3) . . ?
O1 Ru1 O5 84.1(3) 3_666 . ?
O4 Ru1 O5 90.0(3) . . ?
O1 Ru1 O2 84.7(3) . 3_666 ?
O1 Ru1 O2 92.3(3) 3_666 3_666 ?
O4 Ru1 O2 92.7(3) . 3_666 ?
O5 Ru1 O2 89.6(3) . 3_666 ?
O1 Ru1 O3 92.3(4) . . ?
O1 Ru1 O3 84.8(3) 3_666 . ?
O4 Ru1 O3 90.6(3) . . ?
O5 Ru1 O3 93.9(4) . . ?
O2 Ru1 O3 175.2(3) 3_666 . ?
O1 Ru1 Ru1 51.9(2) . 3_666 ?
O1 Ru1 Ru1 51.7(3) 3_666 3_666 ?
O4 Ru1 Ru1 134.5(3) . 3_666 ?
O5 Ru1 Ru1 135.4(2) . 3_666 ?
O2 Ru1 Ru1 87.6(2) 3_666 3_666 ?
O3 Ru1 Ru1 87.6(3) . 3_666 ?
O1 C1 H1A 109.2 . . ?
O1 C1 H1B 109.3 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.9 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 O3 127.1(11) . . ?
O2 C2 C3 117.5(11) . . ?
O3 C2 C3 115.4(11) . . ?
C4 C3 C2 115.2(11) . . ?
C4 C3 H3A 108.4 . . ?
C2 C3 H3A 108.1 . . ?
C4 C3 H3B 109.1 . . ?
C2 C3 H3B 108.2 . . ?
H3A C3 H3B 107.5 . . ?
C3 C4 H4A 109.0 . . ?
C3 C4 H4B 110.0 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.4 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
F2 C5 F3 109.0(11) . . ?
F2 C5 F1 107.1(10) . . ?
F3 C5 F1 106.1(11) . . ?
F2 C5 C6 111.2(9) . . ?
F3 C5 C6 113.1(9) . . ?
F1 C5 C6 110.1(9) . . ?
O5 C6 C7 128.1(11) . . ?
O5 C6 C5 111.9(9) . . ?
C7 C6 C5 120.0(11) . . ?
C8 C7 C6 124.1(13) . . ?
C8 C7 H7A 118.2 . . ?
C6 C7 H7A 117.7 . . ?
O4 C8 C7 126.1(11) . . ?
O4 C8 C9 114.7(11) . . ?
C7 C8 C9 118.9(12) . . ?
F4 C9 F5 120(4) . . ?
F4 C9 F6 102(4) . . ?
F5 C9 F6 101(4) . . ?
F4 C9 C8 116(2) . . ?
F5 C9 C8 109(2) . . ?
F6 C9 C8 106(2) . . ?
C1 O1 Ru1 123.2(8) . . ?
C1 O1 Ru1 123.5(7) . 3_666 ?
Ru1 O1 Ru1 76.4(3) . 3_666 ?
C2 O2 Ru1 119.9(7) . 3_666 ?
C2 O3 Ru1 117.8(7) . . ?
C8 O4 Ru1 126.4(7) . . ?
C6 O5 Ru1 124.4(7) . . ?

_refine_diff_density_max         1.704
_refine_diff_density_min         -1.582
_refine_diff_density_rms         0.219

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_121_a
_database_code_depnum_ccdc_archive 'CCDC 2464454'
loop_
_audit_author_name
_audit_author_address
'Bin Liu'
;Northwest University
China
;
_audit_update_record             
;
2025-11-09 deposited with the CCDC.	2026-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H26 Cl2 F6 O10 Ru2'
_chemical_formula_sum            'C28 H26 Cl2 F6 O10 Ru2'
_chemical_formula_weight         909.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -0.0760 2.5955 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.2762(5)
_cell_length_b                   10.0303(6)
_cell_length_c                   10.1906(6)
_cell_angle_alpha                75.829(3)
_cell_angle_beta                 79.539(3)
_cell_angle_gamma                74.383(3)
_cell_volume                     783.84(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7048
_cell_measurement_theta_min      3.922
_cell_measurement_theta_max      56.901

_exptl_crystal_description       block
_exptl_crystal_colour            red-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_F_000             450
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    6.878
_shelx_estimated_absorpt_T_min   0.289
_shelx_estimated_absorpt_T_max   0.492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.196
_exptl_absorpt_correction_T_max  0.370
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15488
_diffrn_reflns_av_unetI/netI     0.0475
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.923
_diffrn_reflns_theta_max         57.078
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3208
_reflns_number_gt                2499
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0702P)²+1.4488P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3208
_refine_ls_number_parameters     217
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0544
_refine_ls_wR_factor_ref         0.1401
_refine_ls_wR_factor_gt          0.1289
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.46553(6) 0.88410(4) 0.55045(4) 0.04062(19) Uani 1 1 d . . . . .
O1 O 0.6564(6) 0.9543(4) 0.5786(4) 0.0420(9) Uani 1 1 d . . . . .
O2 O 0.3025(6) 0.9795(4) 0.6988(4) 0.0456(10) Uani 1 1 d . . . . .
O3 O 0.3675(6) 1.1926(4) 0.6061(4) 0.0449(10) Uani 1 1 d . . . . .
O4 O 0.2914(6) 0.7868(4) 0.5274(4) 0.0455(10) Uani 1 1 d . . . . .
O5 O 0.5616(5) 0.7123(4) 0.6880(4) 0.0433(10) Uani 1 1 d . . . . .
C1 C 0.6850(9) 0.9687(6) 0.7096(6) 0.0492(15) Uani 1 1 d . . . . .
H1A H 0.642154 0.900052 0.781040 0.059 Uiso 1 1 d R U . . .
H1B H 0.626595 1.061242 0.724860 0.059 Uiso 1 1 d R U . . .
C2 C 0.8711(9) 0.9488(8) 0.7124(7) 0.0635(19) Uani 1 1 d . . . . .
H2A H 0.889849 0.958528 0.799474 0.095 Uiso 1 1 d R U . . .
H2B H 0.929669 0.856098 0.697604 0.095 Uiso 1 1 d R U . . .
H2C H 0.912719 1.018797 0.641844 0.095 Uiso 1 1 d R U . . .
C3 C 0.2852(8) 1.1113(6) 0.6908(6) 0.0455(14) Uani 1 1 d . . . . .
C4 C 0.1555(9) 1.1760(7) 0.7956(7) 0.0539(16) Uani 1 1 d . . . . .
H4A H 0.075105 1.118675 0.831300 0.065 Uiso 1 1 d R U . . .
H4B H 0.096245 1.268945 0.754551 0.065 Uiso 1 1 d R U . . .
C5 C 0.1463(9) 0.6118(6) 0.5458(6) 0.0474(15) Uani 1 1 d . . . . .
C6 C 0.2922(8) 0.6570(6) 0.5795(5) 0.0413(13) Uani 1 1 d . . . . .
C7 C 0.3983(8) 0.5610(6) 0.6637(6) 0.0481(15) Uani 1 1 d . . . . .
H7A H 0.386582 0.465059 0.686145 0.058 Uiso 1 1 d R U . . .
C8 C 0.5239(8) 0.5906(5) 0.7186(5) 0.0382(13) Uani 1 1 d . . . . .
C9 C 0.6222(8) 0.4839(6) 0.8217(6) 0.0417(13) Uani 1 1 d . . . . .
C10 C 0.6141(9) 0.3410(6) 0.8529(7) 0.0541(16) Uani 1 1 d . . . . .
H10A H 0.552242 0.309259 0.800275 0.065 Uiso 1 1 d R U . . .
C11 C 0.6938(10) 0.2462(7) 0.9575(7) 0.0612(19) Uani 1 1 d . . . . .
H11A H 0.684581 0.149674 0.978606 0.073 Uiso 1 1 d R U . . .
C12 C 0.7856(9) 0.2882(7) 1.0313(7) 0.0546(17) Uani 1 1 d . . . . .
H12A H 0.839032 0.222187 1.105277 0.065 Uiso 1 1 d R U . . .
C13 C 0.8011(9) 0.4276(7) 0.9992(7) 0.0566(17) Uani 1 1 d . . . . .
H13A H 0.869014 0.457355 1.048385 0.068 Uiso 1 1 d R U . . .
C14 C 0.7193(9) 0.5240(6) 0.8959(6) 0.0491(15) Uani 1 1 d . . . . .
H14A H 0.730063 0.620084 0.874772 0.059 Uiso 1 1 d R U . . .
Cl1 Cl 0.2587(3) 1.1859(2) 0.92782(18) 0.0758(6) Uani 1 1 d . . . . .
F1 F 0.0629(8) 0.7050(5) 0.4529(7) 0.119(2) Uani 1 1 d . . . . .
F2 F 0.0344(7) 0.5896(7) 0.6536(5) 0.1022(19) Uani 1 1 d . . . . .
F3 F 0.1923(6) 0.4920(5) 0.5043(6) 0.0846(15) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.983(4) . ?
Ru1 O1 1.983(4) 2_676 ?
Ru1 O5 2.013(4) . ?
Ru1 O4 2.019(4) . ?
Ru1 O3 2.067(4) 2_676 ?
Ru1 O2 2.072(4) . ?
Ru1 Ru1 2.4737(8) 2_676 ?
O1 C1 1.445(7) . ?
O2 C3 1.275(7) . ?
O3 C3 1.271(7) . ?
O4 C6 1.279(6) . ?
O5 C8 1.291(6) . ?
C1 C2 1.504(10) . ?
C1 H1A 0.9599 . ?
C1 H1B 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9599 . ?
C3 C4 1.504(9) . ?
C4 Cl1 1.756(7) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C5 F1 1.305(8) . ?
C5 F3 1.308(7) . ?
C5 F2 1.318(8) . ?
C5 C6 1.518(9) . ?
C6 C7 1.360(8) . ?
C7 C8 1.393(9) . ?
C7 H7A 0.9600 . ?
C8 C9 1.483(8) . ?
C9 C14 1.386(9) . ?
C9 C10 1.408(8) . ?
C10 C11 1.377(9) . ?
C10 H10A 0.9600 . ?
C11 C12 1.362(10) . ?
C11 H11A 0.9600 . ?
C12 C13 1.392(9) . ?
C12 H12A 0.9600 . ?
C13 C14 1.382(9) . ?
C13 H13A 0.9599 . ?
C14 H14A 0.9599 . ?

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
O1 Ru1 O1 102.84(15) . 2_676 ?
O1 Ru1 O5 83.86(15) . . ?
O1 Ru1 O5 172.77(16) 2_676 . ?
O1 Ru1 O4 172.40(15) . . ?
O1 Ru1 O4 83.92(16) 2_676 . ?
O5 Ru1 O4 89.57(16) . . ?
O1 Ru1 O3 84.34(16) . 2_676 ?
O1 Ru1 O3 92.16(16) 2_676 2_676 ?
O5 Ru1 O3 91.19(16) . 2_676 ?
O4 Ru1 O3 92.01(17) . 2_676 ?
O1 Ru1 O2 92.54(16) . . ?
O1 Ru1 O2 84.24(16) 2_676 . ?
O5 Ru1 O2 92.84(16) . . ?
O4 Ru1 O2 91.59(17) . . ?
O3 Ru1 O2 174.62(14) 2_676 . ?
O1 Ru1 Ru1 51.42(10) . 2_676 ?
O1 Ru1 Ru1 51.42(12) 2_676 2_676 ?
O5 Ru1 Ru1 135.21(12) . 2_676 ?
O4 Ru1 Ru1 135.22(11) . 2_676 ?
O3 Ru1 Ru1 87.20(11) 2_676 2_676 ?
O2 Ru1 Ru1 87.42(11) . 2_676 ?
C1 O1 Ru1 124.0(4) . . ?
C1 O1 Ru1 121.9(3) . 2_676 ?
Ru1 O1 Ru1 77.16(14) . 2_676 ?
C3 O2 Ru1 118.7(4) . . ?
C3 O3 Ru1 119.3(4) . 2_676 ?
C6 O4 Ru1 124.1(4) . . ?
C8 O5 Ru1 127.8(4) . . ?
O1 C1 C2 109.7(5) . . ?
O1 C1 H1A 110.1 . . ?
C2 C1 H1A 110.0 . . ?
O1 C1 H1B 109.6 . . ?
C2 C1 H1B 109.2 . . ?
H1A C1 H1B 108.2 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.3 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.6 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 O2 127.2(6) . . ?
O3 C3 C4 116.9(5) . . ?
O2 C3 C4 115.9(5) . . ?
C3 C4 Cl1 108.8(5) . . ?
C3 C4 H4A 109.7 . . ?
Cl1 C4 H4A 109.9 . . ?
C3 C4 H4B 110.0 . . ?
Cl1 C4 H4B 110.0 . . ?
H4A C4 H4B 108.5 . . ?
F1 C5 F3 107.0(6) . . ?
F1 C5 F2 106.0(6) . . ?
F3 C5 F2 104.3(5) . . ?
F1 C5 C6 113.6(5) . . ?
F3 C5 C6 113.5(5) . . ?
F2 C5 C6 111.8(5) . . ?
O4 C6 C7 129.0(6) . . ?
O4 C6 C5 112.9(5) . . ?
C7 C6 C5 118.0(5) . . ?
C6 C7 C8 125.1(5) . . ?
C6 C7 H7A 117.4 . . ?
C8 C7 H7A 117.5 . . ?
O5 C8 C7 123.6(5) . . ?
O5 C8 C9 114.5(5) . . ?
C7 C8 C9 121.9(5) . . ?
C14 C9 C10 117.6(5) . . ?
C14 C9 C8 120.5(5) . . ?
C10 C9 C8 121.8(6) . . ?
C11 C10 C9 120.9(6) . . ?
C11 C10 H10A 119.6 . . ?
C9 C10 H10A 119.4 . . ?
C12 C11 C10 120.6(6) . . ?
C12 C11 H11A 119.7 . . ?
C10 C11 H11A 119.7 . . ?
C11 C12 C13 119.7(6) . . ?
C11 C12 H12A 120.3 . . ?
C13 C12 H12A 120.1 . . ?
C14 C13 C12 120.1(7) . . ?
C14 C13 H13A 119.6 . . ?
C12 C13 H13A 120.3 . . ?
C13 C14 C9 121.0(6) . . ?
C13 C14 H14A 119.6 . . ?
C9 C14 H14A 119.3 . . ?

_refine_diff_density_max         1.902
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.131

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5N2_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2518140'
loop_
_audit_author_name
_audit_author_address
'Bin Liu'
;Northwest University
China
;
_audit_update_record             
;
2025-12-22 deposited with the CCDC.	2026-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H24 F6 O10 Ru2'
_chemical_formula_sum            'C18 H24 F6 O10 Ru2'
_chemical_formula_weight         716.51

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -0.0760 2.5955 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.9104(7)
_cell_length_b                   17.5278(15)
_cell_length_c                   17.9103(17)
_cell_angle_alpha                90
_cell_angle_beta                 90.068(5)
_cell_angle_gamma                90
_cell_volume                     2483.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6514
_cell_measurement_theta_min      3.069
_cell_measurement_theta_max      56.629

_exptl_crystal_description       block
_exptl_crystal_colour            red-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_F_000             1416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    7.252
_shelx_estimated_absorpt_T_min   0.275
_shelx_estimated_absorpt_T_max   0.409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.268
_exptl_absorpt_correction_T_max  0.340
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33008
_diffrn_reflns_av_unetI/netI     0.1099
_diffrn_reflns_av_R_equivalents  0.1312
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.069
_diffrn_reflns_theta_max         56.964
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5040
_reflns_number_gt                3233
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0601P)²+0.8110P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5040
_refine_ls_number_parameters     352
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1154
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1308
_refine_ls_wR_factor_gt          0.1105
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.69930(6) 0.62432(2) 0.26487(3) 0.02503(18) Uani 1 1 d . . . . .
Ru2 Ru 0.76809(6) 0.48959(2) 0.23941(3) 0.02499(17) Uani 1 1 d . . . . .
C1 C 0.7838(9) 0.5924(4) 0.1034(4) 0.0359(18) Uani 1 1 d . . . . .
H1A H 0.827660 0.640340 0.086196 0.054 Uiso 1 1 d R U . . .
H1B H 0.829040 0.551860 0.073416 0.054 Uiso 1 1 d R U . . .
H1C H 0.662750 0.592610 0.099336 0.054 Uiso 1 1 d R U . . .
C2 C 0.6812(9) 0.5217(4) 0.4010(4) 0.0363(18) Uani 1 1 d . . . . .
H2A H 0.638047 0.473773 0.418523 0.054 Uiso 1 1 d R U . . .
H2B H 0.802077 0.522153 0.405533 0.054 Uiso 1 1 d R U . . .
H2C H 0.634197 0.562393 0.430213 0.054 Uiso 1 1 d R U . . .
C3 C 1.0292(8) 0.5743(4) 0.3184(4) 0.0292(16) Uani 1 1 d . . . . .
C4 C 1.1985(8) 0.5849(4) 0.3558(4) 0.0355(18) Uani 1 1 d . . . . .
H4A H 1.239358 0.635486 0.346136 0.043 Uiso 1 1 d R U . . .
H4B H 1.278258 0.549106 0.335706 0.043 Uiso 1 1 d R U . . .
C5 C 1.1834(10) 0.5740(6) 0.4391(4) 0.070(3) Uani 1 1 d . . . . .
H5A H 1.291327 0.580942 0.462724 0.104 Uiso 1 1 d R U . . .
H5B H 1.104247 0.610213 0.458954 0.104 Uiso 1 1 d R U . . .
H5C H 1.143427 0.523202 0.448434 0.104 Uiso 1 1 d R U . . .
C6 C 0.4362(9) 0.5399(3) 0.1869(4) 0.0306(17) Uani 1 1 d . . . . .
C7 C 0.2681(8) 0.5285(3) 0.1498(4) 0.0304(17) Uani 1 1 d . . . . .
H7A H 0.189575 0.565858 0.167958 0.036 Uiso 1 1 d R U . . .
H7B H 0.225505 0.478838 0.162308 0.036 Uiso 1 1 d R U . . .
C8 C 0.2819(11) 0.5343(6) 0.0662(5) 0.074(3) Uani 1 1 d . . . . .
H8A H 0.173175 0.526704 0.043484 0.110 Uiso 1 1 d R U . . .
H8B H 0.323185 0.584215 0.053764 0.110 Uiso 1 1 d R U . . .
H8C H 0.359415 0.496476 0.048064 0.110 Uiso 1 1 d R U . . .
C9 C 0.7021(9) 0.8542(3) 0.1744(4) 0.042(2) Uani 1 1 d . . . . .
H9A H 0.753398 0.833952 0.130112 0.063 Uiso 1 1 d R U . . .
H9B H 0.595448 0.877012 0.161942 0.063 Uiso 1 1 d R U . . .
H9C H 0.775078 0.892112 0.195922 0.063 Uiso 1 1 d R U . . .
C10 C 0.6747(8) 0.7899(3) 0.2299(4) 0.0286(18) Uani 1 1 d . . . . .
C11 C 0.6015(9) 0.8049(4) 0.2992(4) 0.039(2) Uani 1 1 d . . . . .
H11A H 0.570165 0.856729 0.309452 0.047 Uiso 1 1 d R U . . .
C12 C 0.5698(8) 0.7525(3) 0.3534(4) 0.0292(17) Uani 1 1 d . . . . .
C13 C 0.4992(10) 0.7767(4) 0.4292(5) 0.041(2) Uani 1 1 d . . . . .
C14 C 1.0041(9) 0.3330(4) 0.0851(4) 0.0330(18) Uani 1 1 d . . . . .
C15 C 0.9228(8) 0.3605(3) 0.1563(4) 0.0257(16) Uani 1 1 d . . . . .
C16 C 0.8998(9) 0.3110(3) 0.2163(4) 0.0338(18) Uani 1 1 d . . . . .
H16A H 0.947775 0.260896 0.211847 0.041 Uiso 1 1 d R U . . .
C17 C 0.8148(8) 0.3282(3) 0.2813(4) 0.0297(18) Uani 1 1 d . . . . .
C18 C 0.8013(10) 0.2703(4) 0.3459(5) 0.045(2) Uani 1 1 d . . . . .
F1 F 0.6093(7) 0.7587(3) 0.4846(3) 0.0795(17) Uani 1 1 d . . . . .
F2 F 0.4709(9) 0.8503(3) 0.4345(3) 0.097(2) Uani 1 1 d . . . . .
F3 F 0.3591(6) 0.7409(3) 0.4472(3) 0.0734(16) Uani 1 1 d . . . . .
F4 F 0.8909(8) 0.2995(3) 0.4061(3) 0.0514(18) Uani 0.7 1 d . . P . .
F5 F 0.6490(7) 0.2602(3) 0.3681(3) 0.0365(14) Uani 0.7 1 d . . P . .
F6 F 0.8746(7) 0.2060(3) 0.3306(3) 0.0405(15) Uani 0.7 1 d . . P . .
F7 F 1.138(2) 0.3734(9) 0.0662(10) 0.067(5) Uani 0.3 1 d . . P . .
F8 F 1.039(2) 0.2647(9) 0.0765(9) 0.076(5) Uani 0.3 1 d . . P . .
F9 F 0.904(2) 0.3483(10) 0.0241(11) 0.089(6) Uani 0.3 1 d . . P . .
O1 O 0.8303(5) 0.5810(2) 0.1801(2) 0.0262(11) Uani 1 1 d . . . . .
O2 O 0.6342(5) 0.5320(2) 0.3235(3) 0.0270(11) Uani 1 1 d . . . . .
O3 O 0.9321(5) 0.6322(2) 0.3167(2) 0.0281(11) Uani 1 1 d . . . . .
O4 O 0.9944(5) 0.5081(2) 0.2936(3) 0.0287(11) Uani 1 1 d . . . . .
O5 O 0.4707(5) 0.6059(2) 0.2115(2) 0.0278(11) Uani 1 1 d . . . . .
O6 O 0.5342(5) 0.4817(2) 0.1872(2) 0.0277(11) Uani 1 1 d . . . . .
O7 O 0.5914(6) 0.6797(2) 0.3511(3) 0.0305(11) Uani 1 1 d . . . . .
O8 O 0.7273(5) 0.7246(2) 0.2099(2) 0.0282(11) Uani 1 1 d . . . . .
O9 O 0.7417(6) 0.3909(2) 0.2971(3) 0.0329(12) Uani 1 1 d . . . . .
O10 O 0.8796(5) 0.4317(2) 0.1551(3) 0.0291(11) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.990(4) . ?
Ru1 O2 1.997(4) . ?
Ru1 O7 2.014(5) . ?
Ru1 O8 2.027(4) . ?
Ru1 O3 2.066(4) . ?
Ru1 O5 2.070(4) . ?
Ru1 Ru2 2.4661(7) . ?
Ru2 O1 1.985(4) . ?
Ru2 O2 1.986(5) . ?
Ru2 O10 2.022(5) . ?
Ru2 O9 2.026(4) . ?
Ru2 O4 2.061(4) . ?
Ru2 O6 2.076(4) . ?
C1 O1 1.436(7) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9601 . ?
C1 H1C 0.9600 . ?
C2 O2 1.447(7) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9599 . ?
C3 O4 1.272(7) . ?
C3 O3 1.274(7) . ?
C3 C4 1.508(8) . ?
C4 C5 1.508(10) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C5 H5A 0.9601 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 O5 1.268(7) . ?
C6 O6 1.282(7) . ?
C6 C7 1.499(8) . ?
C7 C8 1.505(10) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C8 H8A 0.9599 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.518(9) . ?
C9 H9A 0.9601 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9599 . ?
C10 O8 1.271(7) . ?
C10 C11 1.394(10) . ?
C11 C12 1.360(9) . ?
C11 H11A 0.9601 . ?
C12 O7 1.288(7) . ?
C12 C13 1.528(10) . ?
C13 F2 1.313(7) . ?
C13 F3 1.314(8) . ?
C13 F1 1.356(8) . ?
C14 F8 1.239(16) . ?
C14 F7 1.318(17) . ?
C14 F9 1.38(2) . ?
C14 C15 1.507(10) . ?
C15 O10 1.294(7) . ?
C15 C16 1.394(9) . ?
C16 C17 1.378(10) . ?
C16 H16A 0.9599 . ?
C17 O9 1.273(7) . ?
C17 C18 1.543(9) . ?
C18 F5 1.281(9) . ?
C18 F6 1.297(8) . ?
C18 F4 1.387(9) . ?

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
O1 Ru1 O2 103.11(16) . . ?
O1 Ru1 O7 172.00(16) . . ?
O2 Ru1 O7 82.97(17) . . ?
O1 Ru1 O8 84.41(17) . . ?
O2 Ru1 O8 170.60(18) . . ?
O7 Ru1 O8 90.10(17) . . ?
O1 Ru1 O3 84.47(17) . . ?
O2 Ru1 O3 92.76(16) . . ?
O7 Ru1 O3 90.09(17) . . ?
O8 Ru1 O3 93.58(16) . . ?
O1 Ru1 O5 92.49(17) . . ?
O2 Ru1 O5 83.75(16) . . ?
O7 Ru1 O5 93.35(17) . . ?
O8 Ru1 O5 90.36(16) . . ?
O3 Ru1 O5 174.77(15) . . ?
O1 Ru1 Ru2 51.56(11) . . ?
O2 Ru1 Ru2 51.55(13) . . ?
O7 Ru1 Ru2 134.16(12) . . ?
O8 Ru1 Ru2 135.74(13) . . ?
O3 Ru1 Ru2 87.16(11) . . ?
O5 Ru1 Ru2 87.61(11) . . ?
O1 Ru2 O2 103.69(16) . . ?
O1 Ru2 O10 84.09(17) . . ?
O2 Ru2 O10 170.78(16) . . ?
O1 Ru2 O9 171.15(17) . . ?
O2 Ru2 O9 82.96(18) . . ?
O10 Ru2 O9 89.84(18) . . ?
O1 Ru2 O4 84.77(16) . . ?
O2 Ru2 O4 92.71(17) . . ?
O10 Ru2 O4 92.94(18) . . ?
O9 Ru2 O4 89.12(17) . . ?
O1 Ru2 O6 91.95(16) . . ?
O2 Ru2 O6 83.73(17) . . ?
O10 Ru2 O6 91.14(17) . . ?
O9 Ru2 O6 94.62(17) . . ?
O4 Ru2 O6 174.48(15) . . ?
O1 Ru2 Ru1 51.73(12) . . ?
O2 Ru2 Ru1 51.96(11) . . ?
O10 Ru2 Ru1 135.65(12) . . ?
O9 Ru2 Ru1 134.48(14) . . ?
O4 Ru2 Ru1 87.33(11) . . ?
O6 Ru2 Ru1 87.15(11) . . ?
O1 C1 H1A 109.6 . . ?
O1 C1 H1B 109.7 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.1 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 H2A 109.4 . . ?
O2 C2 H2B 109.6 . . ?
H2A C2 H2B 109.5 . . ?
O2 C2 H2C 109.4 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O4 C3 O3 126.0(6) . . ?
O4 C3 C4 117.4(6) . . ?
O3 C3 C4 116.6(6) . . ?
C5 C4 C3 110.6(6) . . ?
C5 C4 H4A 108.8 . . ?
C3 C4 H4A 109.4 . . ?
C5 C4 H4B 110.0 . . ?
C3 C4 H4B 109.6 . . ?
H4A C4 H4B 108.3 . . ?
C4 C5 H5A 110.4 . . ?
C4 C5 H5B 109.6 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 108.4 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O5 C6 O6 126.5(6) . . ?
O5 C6 C7 117.8(6) . . ?
O6 C6 C7 115.6(5) . . ?
C6 C7 C8 111.5(6) . . ?
C6 C7 H7A 109.4 . . ?
C8 C7 H7A 109.8 . . ?
C6 C7 H7B 109.2 . . ?
C8 C7 H7B 108.7 . . ?
H7A C7 H7B 108.2 . . ?
C7 C8 H8A 110.2 . . ?
C7 C8 H8B 108.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.7 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 H9A 109.1 . . ?
C10 C9 H9B 109.6 . . ?
H9A C9 H9B 109.5 . . ?
C10 C9 H9C 109.7 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O8 C10 C11 123.9(6) . . ?
O8 C10 C9 115.9(7) . . ?
C11 C10 C9 120.2(6) . . ?
C12 C11 C10 125.8(6) . . ?
C12 C11 H11A 117.1 . . ?
C10 C11 H11A 117.1 . . ?
O7 C12 C11 128.4(7) . . ?
O7 C12 C13 110.6(6) . . ?
C11 C12 C13 121.0(6) . . ?
F2 C13 F3 107.9(7) . . ?
F2 C13 F1 106.5(6) . . ?
F3 C13 F1 104.5(7) . . ?
F2 C13 C12 113.5(7) . . ?
F3 C13 C12 113.3(6) . . ?
F1 C13 C12 110.5(6) . . ?
F8 C14 F7 107.8(12) . . ?
F8 C14 F9 102.6(12) . . ?
F7 C14 F9 98.8(13) . . ?
F8 C14 C15 120.7(10) . . ?
F7 C14 C15 113.0(9) . . ?
F9 C14 C15 111.3(10) . . ?
O10 C15 C16 125.3(7) . . ?
O10 C15 C14 114.1(6) . . ?
C16 C15 C14 120.6(6) . . ?
C17 C16 C15 125.4(6) . . ?
C17 C16 H16A 117.7 . . ?
C15 C16 H16A 116.9 . . ?
O9 C17 C16 126.8(6) . . ?
O9 C17 C18 111.6(7) . . ?
C16 C17 C18 121.6(6) . . ?
F5 C18 F6 111.4(6) . . ?
F5 C18 F4 106.8(7) . . ?
F6 C18 F4 104.9(6) . . ?
F5 C18 C17 112.9(6) . . ?
F6 C18 C17 112.5(7) . . ?
F4 C18 C17 107.8(6) . . ?
C1 O1 Ru2 124.1(4) . . ?
C1 O1 Ru1 123.0(4) . . ?
Ru2 O1 Ru1 76.70(16) . . ?
C2 O2 Ru2 123.0(4) . . ?
C2 O2 Ru1 122.6(3) . . ?
Ru2 O2 Ru1 76.49(17) . . ?
C3 O3 Ru1 119.7(4) . . ?
C3 O4 Ru2 119.8(4) . . ?
C6 O5 Ru1 119.4(4) . . ?
C6 O6 Ru2 119.2(4) . . ?
C12 O7 Ru1 123.9(5) . . ?
C10 O8 Ru1 127.5(5) . . ?
C17 O9 Ru2 125.2(5) . . ?
C15 O10 Ru2 126.0(5) . . ?

_refine_diff_density_max         1.160
_refine_diff_density_min         -1.323
_refine_diff_density_rms         0.176

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_121_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2464456'
loop_
_audit_author_name
_audit_author_address
'Bin Liu'
;Northwest University
China
;
_audit_update_record             
;
2025-12-22 deposited with the CCDC.	2026-01-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H26 Cl2 F6 O10 Ru2'
_chemical_formula_sum            'C28 H26 Cl2 F6 O10 Ru2'
_chemical_formula_weight         909.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -0.0760 2.5955 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6208(4)
_cell_length_b                   11.5287(5)
_cell_length_c                   15.1896(6)
_cell_angle_alpha                88.524(2)
_cell_angle_beta                 84.275(2)
_cell_angle_gamma                80.366(2)
_cell_volume                     1652.64(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9945
_cell_measurement_theta_min      3.383
_cell_measurement_theta_max      56.792

_exptl_crystal_description       block
_exptl_crystal_colour            red-brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_F_000             900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    6.525
_shelx_estimated_absorpt_T_min   0.403
_shelx_estimated_absorpt_T_max   0.623
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.291
_exptl_absorpt_correction_T_max  0.503
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36808
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.544
_diffrn_reflns_theta_max         56.981
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6714
_reflns_number_gt                5177
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0288P)²+3.7601P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6714
_refine_ls_number_parameters     454
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0368
_refine_ls_wR_factor_ref         0.0851
_refine_ls_wR_factor_gt          0.0776
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.71973(3) 0.24553(3) 0.21550(2) 0.02793(9) Uani 1 1 d . . . . .
Ru2 Ru 0.46567(3) 0.25218(3) 0.26490(2) 0.02617(9) Uani 1 1 d . . . . .
Cl1 Cl 0.35546(12) 0.17152(12) -0.03969(7) 0.0493(3) Uani 1 1 d . . . . .
Cl3 Cl 0.5428(2) 0.2843(2) 0.57866(12) 0.0718(9) Uani 0.735(5) 1 d . . . . .
O1 O 0.6209(3) 0.1153(2) 0.2598(2) 0.0391(7) Uani 1 1 d . . . . .
O2 O 0.5627(3) 0.3809(2) 0.2125(2) 0.0356(7) Uani 1 1 d . . . . .
O3 O 0.7486(3) 0.2727(2) 0.34664(19) 0.0348(7) Uani 1 1 d . . . . .
O4 O 0.5143(3) 0.2799(2) 0.39086(18) 0.0330(6) Uani 1 1 d . . . . .
O5 O 0.6714(3) 0.2157(2) 0.08948(18) 0.0313(6) Uani 1 1 d . . . . .
O6 O 0.4370(3) 0.2209(2) 0.13363(17) 0.0282(6) Uani 1 1 d . . . . .
O7 O 0.8900(3) 0.1186(2) 0.19757(19) 0.0328(6) Uani 1 1 d . . . . .
O8 O 0.8417(3) 0.3661(2) 0.17465(18) 0.0316(6) Uani 1 1 d . . . . .
O9 O 0.3465(3) 0.1336(2) 0.31482(17) 0.0308(6) Uani 1 1 d . . . . .
O10 O 0.2950(3) 0.3799(2) 0.28284(18) 0.0303(6) Uani 1 1 d . . . . .
C1A C 0.6248(7) 0.0092(5) 0.2206(4) 0.0209(14) Uani 0.569(5) 1 d . . P A 1
H1A H 0.691686 0.003204 0.168937 0.025 Uiso 0.569(5) 1 d R U P A 1
H1B H 0.533195 0.005264 0.201987 0.025 Uiso 0.569(5) 1 d R U P A 1
C2A C 0.6934(11) -0.0920(10) 0.2764(8) 0.048(2) Uani 0.569(5) 1 d . . P A 1
H2AA H 0.695653 -0.164288 0.245915 0.072 Uiso 0.569(5) 1 d R U P A 1
H2AB H 0.779893 -0.094848 0.303495 0.072 Uiso 0.569(5) 1 d R U P A 1
H2AC H 0.614673 -0.081428 0.321225 0.072 Uiso 0.569(5) 1 d R U P A 1
C1B C 0.6513(14) 0.0247(11) 0.3133(10) 0.065(4) Uani 0.431(5) 1 d . . P A 2
H1CA H 0.578661 0.031987 0.361882 0.078 Uiso 0.431(5) 1 d R U P A 2
H1CB H 0.738601 0.031257 0.336772 0.078 Uiso 0.431(5) 1 d R U P A 2
C2B C 0.6183(14) -0.0906(13) 0.2860(11) 0.048(2) Uani 0.431(5) 1 d . . P A 2
H2BA H 0.635672 -0.147668 0.332515 0.072 Uiso 0.431(5) 1 d R U P A 2
H2BB H 0.548432 -0.111969 0.251365 0.072 Uiso 0.431(5) 1 d R U P A 2
H2BC H 0.704612 -0.088420 0.248925 0.072 Uiso 0.431(5) 1 d R U P A 2
C3 C 0.5616(5) 0.4887(4) 0.2564(3) 0.0412(11) Uani 1 1 d . . . . .
H3A H 0.653860 0.490779 0.274651 0.049 Uiso 1 1 d R U . . .
H3B H 0.494950 0.494439 0.308141 0.049 Uiso 1 1 d R U . . .
C4 C 0.5229(6) 0.5903(4) 0.1956(3) 0.0514(13) Uani 1 1 d . . . . .
H4A H 0.522272 0.663079 0.225026 0.077 Uiso 1 1 d R U . . .
H4B H 0.590342 0.584339 0.144216 0.077 Uiso 1 1 d R U . . .
H4C H 0.430272 0.588039 0.177946 0.077 Uiso 1 1 d R U . . .
C5 C 0.6422(4) 0.2804(4) 0.4038(3) 0.0339(9) Uani 1 1 d . . . . .
C6 C 0.6759(5) 0.2934(5) 0.4977(3) 0.0513(13) Uani 1 1 d . . . . .
H6B H 0.675043 0.376775 0.497829 0.062 Uiso 1 1 d R U . . .
H6A H 0.771253 0.265545 0.511059 0.062 Uiso 1 1 d R U . . .
C7 C 0.5442(4) 0.2086(3) 0.0775(3) 0.0299(9) Uani 1 1 d . . . . .
C8 C 0.5284(5) 0.1788(4) -0.0166(3) 0.0395(10) Uani 1 1 d . . . . .
H8A H 0.564056 0.236746 -0.055104 0.047 Uiso 1 1 d R U . . .
H8B H 0.586456 0.104136 -0.030314 0.047 Uiso 1 1 d R U . . .
C9 C 1.1125(4) 0.0199(4) 0.1446(3) 0.0362(10) Uani 1 1 d . . . . .
C10 C 1.0119(4) 0.1354(3) 0.1644(3) 0.0278(8) Uani 1 1 d . . . . .
C11 C 1.0601(4) 0.2392(4) 0.1422(3) 0.0317(9) Uani 1 1 d . . . . .
H11A H 1.158444 0.235496 0.121903 0.038 Uiso 1 1 d R U . . .
C12 C 0.9734(4) 0.3508(3) 0.1478(2) 0.0237(8) Uani 1 1 d . . . . .
C13 C 1.0297(4) 0.4596(3) 0.1212(2) 0.0259(8) Uani 1 1 d . . . . .
C14 C 1.1630(4) 0.4581(4) 0.0754(3) 0.0336(9) Uani 1 1 d . . . . .
H14A H 1.223797 0.384269 0.063042 0.040 Uiso 1 1 d R U . . .
C15 C 1.2077(5) 0.5622(4) 0.0477(3) 0.0386(10) Uani 1 1 d . . . . .
H15A H 1.298708 0.560003 0.014978 0.046 Uiso 1 1 d R U . . .
C16 C 1.1231(4) 0.6687(4) 0.0665(3) 0.0324(9) Uani 1 1 d . . . . .
H16A H 1.155068 0.740409 0.046794 0.039 Uiso 1 1 d R U . . .
C17 C 0.9921(4) 0.6717(4) 0.1138(3) 0.0351(10) Uani 1 1 d . . . . .
H17A H 0.933315 0.745945 0.128021 0.042 Uiso 1 1 d R U . . .
C18 C 0.9457(4) 0.5684(4) 0.1403(3) 0.0339(9) Uani 1 1 d . . . . .
H18A H 0.854410 0.571024 0.172749 0.041 Uiso 1 1 d R U . . .
C19 C 0.1739(5) 0.0594(4) 0.4060(3) 0.0525(13) Uani 1 1 d D . . . .
C20 C 0.2265(5) 0.1627(4) 0.3594(3) 0.0362(10) Uani 1 1 d . . . . .
C21 C 0.1444(5) 0.2712(4) 0.3714(3) 0.0397(11) Uani 1 1 d . . . . .
H21A H 0.057110 0.276768 0.408850 0.048 Uiso 1 1 d R U . . .
C22 C 0.1811(4) 0.3756(4) 0.3321(3) 0.0295(9) Uani 1 1 d . . . . .
C23 C 0.0857(4) 0.4895(4) 0.3484(3) 0.0335(9) Uani 1 1 d . . . . .
C24 C -0.0549(5) 0.4950(5) 0.3835(3) 0.0517(13) Uani 1 1 d . . . . .
H24A H -0.093275 0.423824 0.394673 0.062 Uiso 1 1 d R U . . .
C25 C -0.1382(6) 0.6029(6) 0.4017(4) 0.0670(16) Uani 1 1 d . . . . .
H25A H -0.235014 0.606635 0.425635 0.080 Uiso 1 1 d R U . . .
C26 C -0.0845(6) 0.7052(5) 0.3858(4) 0.0602(15) Uani 1 1 d . . . . .
H26A H -0.142254 0.779418 0.401186 0.072 Uiso 1 1 d R U . . .
C27 C 0.0526(6) 0.7006(5) 0.3484(4) 0.0540(13) Uani 1 1 d . . . . .
H27A H 0.088822 0.772271 0.334581 0.065 Uiso 1 1 d R U . . .
C28 C 0.1375(5) 0.5937(4) 0.3300(3) 0.0407(10) Uani 1 1 d . . . . .
H28A H 0.233601 0.590818 0.304811 0.049 Uiso 1 1 d R U . . .
F1 F 1.2462(3) 0.0255(2) 0.15642(18) 0.0470(7) Uani 1 1 d . . . . .
F2 F 1.0763(3) -0.0689(2) 0.1934(2) 0.0672(9) Uani 1 1 d . . . . .
F3 F 1.1132(3) -0.0097(3) 0.0603(2) 0.0663(9) Uani 1 1 d . . . . .
F4A F 0.2068(7) 0.0371(6) 0.4861(4) 0.0739(9) Uani 0.569(5) 1 d D . P A 1
F5A F 0.2325(7) -0.0473(5) 0.3653(4) 0.0739(9) Uani 0.569(5) 1 d D . P A 1
F6A F 0.0326(6) 0.0622(5) 0.4064(5) 0.0739(9) Uani 0.569(5) 1 d D . P A 1
F4B F 0.2665(9) 0.0253(8) 0.4706(5) 0.0739(9) Uani 0.431(5) 1 d D . P A 2
F5B F 0.1684(10) -0.0254(8) 0.3567(5) 0.0739(9) Uani 0.431(5) 1 d D . P A 2
F6B F 0.0511(8) 0.0916(7) 0.4592(6) 0.0739(9) Uani 0.431(5) 1 d D . P A 2
Cl2 Cl 0.5957(6) 0.4498(5) 0.5283(3) 0.067(2) Uani 0.267(5) 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 1.977(3) . ?
Ru1 O2 1.985(3) . ?
Ru1 O7 2.007(3) . ?
Ru1 O8 2.013(2) . ?
Ru1 O5 2.065(3) . ?
Ru1 O3 2.077(3) . ?
Ru1 Ru2 2.4735(4) . ?
Ru2 O1 1.980(3) . ?
Ru2 O2 1.990(3) . ?
Ru2 O9 2.014(2) . ?
Ru2 O10 2.015(3) . ?
Ru2 O4 2.059(3) . ?
Ru2 O6 2.089(3) . ?
Cl1 C8 1.750(4) . ?
Cl3 C6 1.699(5) . ?
O1 C1B 1.319(13) . ?
O1 C1A 1.368(7) . ?
O2 C3 1.423(5) . ?
O3 C5 1.266(5) . ?
O4 C5 1.266(5) . ?
O5 C7 1.271(5) . ?
O6 C7 1.263(4) . ?
O7 C10 1.273(5) . ?
O8 C12 1.276(4) . ?
O9 C20 1.276(5) . ?
O10 C22 1.272(4) . ?
C1A C2A 1.523(12) . ?
C1A H1A 0.9601 . ?
C1A H1B 0.9600 . ?
C2A H2AA 0.9600 . ?
C2A H2AB 0.9599 . ?
C2A H2AC 0.9599 . ?
C1B C2B 1.50(2) . ?
C1B H1CA 0.9600 . ?
C1B H1CB 0.9600 . ?
C2B H2BA 0.9601 . ?
C2B H2BB 0.9600 . ?
C2B H2BC 0.9600 . ?
C3 C4 1.493(6) . ?
C3 H3A 0.9599 . ?
C3 H3B 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.511(6) . ?
C6 H6B 0.9600 . ?
C6 H6A 0.9600 . ?
C7 C8 1.507(6) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C9 F2 1.321(5) . ?
C9 F1 1.328(5) . ?
C9 F3 1.333(5) . ?
C9 C10 1.527(6) . ?
C10 C11 1.376(5) . ?
C11 C12 1.410(5) . ?
C11 H11A 0.9600 . ?
C12 C13 1.479(5) . ?
C13 C18 1.394(6) . ?
C13 C14 1.395(5) . ?
C14 C15 1.382(6) . ?
C14 H14A 0.9602 . ?
C15 C16 1.374(6) . ?
C15 H15A 0.9600 . ?
C16 C17 1.384(6) . ?
C16 H16A 0.9600 . ?
C17 C18 1.377(5) . ?
C17 H17A 0.9599 . ?
C18 H18A 0.9600 . ?
C19 F5B 1.258(8) . ?
C19 F4A 1.296(7) . ?
C19 F6A 1.354(7) . ?
C19 F6B 1.366(8) . ?
C19 F4B 1.396(8) . ?
C19 F5A 1.396(7) . ?
C19 C20 1.504(6) . ?
C20 C21 1.370(6) . ?
C21 C22 1.411(6) . ?
C21 H21A 0.9600 . ?
C22 C23 1.482(6) . ?
C23 C28 1.387(6) . ?
C23 C24 1.395(6) . ?
C24 C25 1.380(7) . ?
C24 H24A 0.9600 . ?
C25 C26 1.371(8) . ?
C25 H25A 0.9599 . ?
C26 C27 1.376(8) . ?
C26 H26A 0.9599 . ?
C27 C28 1.379(6) . ?
C27 H27A 0.9600 . ?
C28 H28A 0.9599 . ?
Cl2 Cl2 2.240(10) 2_666 ?
Cl2 H6B 1.1142 . ?

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
O1 Ru1 O2 102.85(11) . . ?
O1 Ru1 O7 84.26(11) . . ?
O2 Ru1 O7 170.02(11) . . ?
O1 Ru1 O8 173.13(11) . . ?
O2 Ru1 O8 83.67(11) . . ?
O7 Ru1 O8 89.53(10) . . ?
O1 Ru1 O5 89.15(12) . . ?
O2 Ru1 O5 83.96(11) . . ?
O7 Ru1 O5 89.22(11) . . ?
O8 Ru1 O5 93.73(11) . . ?
O1 Ru1 O3 86.59(12) . . ?
O2 Ru1 O3 93.46(12) . . ?
O7 Ru1 O3 93.95(11) . . ?
O8 Ru1 O3 90.91(11) . . ?
O5 Ru1 O3 174.40(10) . . ?
O1 Ru1 Ru2 51.36(8) . . ?
O2 Ru1 Ru2 51.62(8) . . ?
O7 Ru1 Ru2 135.51(7) . . ?
O8 Ru1 Ru2 134.95(8) . . ?
O5 Ru1 Ru2 87.42(7) . . ?
O3 Ru1 Ru2 87.08(8) . . ?
O1 Ru2 O2 102.58(11) . . ?
O1 Ru2 O9 83.66(11) . . ?
O2 Ru2 O9 173.41(11) . . ?
O1 Ru2 O10 172.50(11) . . ?
O2 Ru2 O10 84.35(10) . . ?
O9 Ru2 O10 89.54(11) . . ?
O1 Ru2 O4 87.11(12) . . ?
O2 Ru2 O4 93.33(11) . . ?
O9 Ru2 O4 89.11(11) . . ?
O10 Ru2 O4 89.66(11) . . ?
O1 Ru2 O6 88.87(12) . . ?
O2 Ru2 O6 83.99(11) . . ?
O9 Ru2 O6 94.08(10) . . ?
O10 Ru2 O6 94.76(11) . . ?
O4 Ru2 O6 174.57(10) . . ?
O1 Ru2 Ru1 51.26(8) . . ?
O2 Ru2 Ru1 51.43(8) . . ?
O9 Ru2 Ru1 134.89(8) . . ?
O10 Ru2 Ru1 135.36(7) . . ?
O4 Ru2 Ru1 87.41(8) . . ?
O6 Ru2 Ru1 87.22(7) . . ?
C1B O1 Ru1 134.4(6) . . ?
C1A O1 Ru1 127.5(3) . . ?
C1B O1 Ru2 132.7(7) . . ?
C1A O1 Ru2 127.7(3) . . ?
Ru1 O1 Ru2 77.38(10) . . ?
C3 O2 Ru1 122.9(3) . . ?
C3 O2 Ru2 123.4(2) . . ?
Ru1 O2 Ru2 76.95(10) . . ?
C5 O3 Ru1 118.5(3) . . ?
C5 O4 Ru2 119.0(3) . . ?
C7 O5 Ru1 119.0(2) . . ?
C7 O6 Ru2 118.2(3) . . ?
C10 O7 Ru1 124.5(2) . . ?
C12 O8 Ru1 129.0(2) . . ?
C20 O9 Ru2 122.9(3) . . ?
C22 O10 Ru2 127.2(3) . . ?
O1 C1A C2A 111.4(6) . . ?
O1 C1A H1A 109.0 . . ?
C2A C1A H1A 100.6 . . ?
O1 C1A H1B 109.2 . . ?
C2A C1A H1B 118.0 . . ?
H1A C1A H1B 108.0 . . ?
C1A C2A H2AA 108.5 . . ?
C1A C2A H2AB 125.8 . . ?
H2AA C2A H2AB 109.5 . . ?
C1A C2A H2AC 92.3 . . ?
H2AA C2A H2AC 109.5 . . ?
H2AB C2A H2AC 109.5 . . ?
O1 C1B C2B 117.0(12) . . ?
O1 C1B H1CA 107.5 . . ?
C2B C1B H1CA 92.6 . . ?
O1 C1B H1CB 107.7 . . ?
C2B C1B H1CB 122.2 . . ?
H1CA C1B H1CB 107.3 . . ?
C1B C2B H2BA 109.5 . . ?
C1B C2B H2BB 133.4 . . ?
H2BA C2B H2BB 109.5 . . ?
C1B C2B H2BC 80.0 . . ?
H2BA C2B H2BC 109.5 . . ?
H2BB C2B H2BC 109.5 . . ?
O2 C3 C4 110.1(4) . . ?
O2 C3 H3A 109.6 . . ?
C4 C3 H3A 109.2 . . ?
O2 C3 H3B 109.7 . . ?
C4 C3 H3B 109.9 . . ?
H3A C3 H3B 108.3 . . ?
C3 C4 H4A 110.2 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 108.7 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O4 C5 O3 127.9(4) . . ?
O4 C5 C6 117.8(4) . . ?
O3 C5 C6 114.3(4) . . ?
C5 C6 Cl3 116.5(3) . . ?
C5 C6 H6B 99.2 . . ?
Cl3 C6 H6B 99.3 . . ?
C5 C6 H6A 117.6 . . ?
Cl3 C6 H6A 117.8 . . ?
H6B C6 H6A 100.2 . . ?
O6 C7 O5 128.2(4) . . ?
O6 C7 C8 119.4(4) . . ?
O5 C7 C8 112.4(3) . . ?
C7 C8 Cl1 115.4(3) . . ?
C7 C8 H8A 108.5 . . ?
Cl1 C8 H8A 108.5 . . ?
C7 C8 H8B 108.3 . . ?
Cl1 C8 H8B 108.3 . . ?
H8A C8 H8B 107.6 . . ?
F2 C9 F1 107.2(4) . . ?
F2 C9 F3 106.9(4) . . ?
F1 C9 F3 105.9(3) . . ?
F2 C9 C10 112.7(3) . . ?
F1 C9 C10 113.3(3) . . ?
F3 C9 C10 110.5(3) . . ?
O7 C10 C11 129.5(4) . . ?
O7 C10 C9 112.1(3) . . ?
C11 C10 C9 118.3(4) . . ?
C10 C11 C12 123.8(4) . . ?
C10 C11 H11A 118.1 . . ?
C12 C11 H11A 118.1 . . ?
O8 C12 C11 123.4(3) . . ?
O8 C12 C13 114.9(3) . . ?
C11 C12 C13 121.7(3) . . ?
C18 C13 C14 118.1(4) . . ?
C18 C13 C12 119.3(3) . . ?
C14 C13 C12 122.6(4) . . ?
C15 C14 C13 120.4(4) . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 119.6 . . ?
C16 C15 C14 120.7(4) . . ?
C16 C15 H15A 119.6 . . ?
C14 C15 H15A 119.6 . . ?
C15 C16 C17 119.6(4) . . ?
C15 C16 H16A 120.1 . . ?
C17 C16 H16A 120.4 . . ?
C18 C17 C16 120.0(4) . . ?
C18 C17 H17A 120.0 . . ?
C16 C17 H17A 119.9 . . ?
C17 C18 C13 121.1(4) . . ?
C17 C18 H18A 119.7 . . ?
C13 C18 H18A 119.2 . . ?
F4A C19 F6A 107.7(5) . . ?
F5B C19 F6B 112.6(6) . . ?
F5B C19 F4B 111.0(6) . . ?
F6B C19 F4B 99.5(5) . . ?
F4A C19 F5A 100.6(5) . . ?
F6A C19 F5A 103.6(5) . . ?
F5B C19 C20 114.8(5) . . ?
F4A C19 C20 117.0(5) . . ?
F6A C19 C20 113.9(5) . . ?
F6B C19 C20 112.6(5) . . ?
F4B C19 C20 105.0(5) . . ?
F5A C19 C20 112.4(4) . . ?
O9 C20 C21 129.8(4) . . ?
O9 C20 C19 112.5(4) . . ?
C21 C20 C19 117.7(4) . . ?
C20 C21 C22 123.7(4) . . ?
C20 C21 H21A 118.2 . . ?
C22 C21 H21A 118.1 . . ?
O10 C22 C21 123.9(4) . . ?
O10 C22 C23 115.8(3) . . ?
C21 C22 C23 120.2(4) . . ?
C28 C23 C24 118.8(4) . . ?
C28 C23 C22 119.5(4) . . ?
C24 C23 C22 121.7(4) . . ?
C25 C24 C23 119.9(5) . . ?
C25 C24 H24A 120.3 . . ?
C23 C24 H24A 119.8 . . ?
C26 C25 C24 120.8(5) . . ?
C26 C25 H25A 119.4 . . ?
C24 C25 H25A 119.8 . . ?
C25 C26 C27 119.7(5) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.4 . . ?
C26 C27 C28 120.3(5) . . ?
C26 C27 H27A 119.8 . . ?
C28 C27 H27A 119.9 . . ?
C27 C28 C23 120.5(5) . . ?
C27 C28 H28A 120.1 . . ?
C23 C28 H28A 119.5 . . ?
Cl2 Cl2 H6B 128.4 2_666 . ?

_refine_diff_density_max         1.167
_refine_diff_density_min         -0.825
_refine_diff_density_rms         0.096

