# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_xpbca_a
_database_code_depnum_ccdc_archive 'CCDC 2154982'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2022-04-26 deposited with the CCDC.	2022-05-19 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT201_xpbca_a             
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s)
RESPONSE: The quality of the crystals was very 
low and, in addition, there was extensive disosder
in the cation. Thus, the cation has been refined
isotropically in order to avoid inappropriate 
isotropic restraints on anisotropic displacement
parameters. 
;
_vrf_PLAT971_xpbca_a             
;
PROBLEM: Check Calcd Resid. Dens.  
RESPONSE: The quality of the crystals was very 
low and, in addition, there was extensive disosder
in the cation. Thus, the cation has been refined
isotropically in order to avoid inappropriate 
isotropic restraints on anisotropic displacement
parameters. Because of isotropic refinemnet and 
disorder, residual electron densities are present
after refinement. 
;
_vrf_PLAT972_xpbca_a             
;
PROBLEM: Check Calcd Resid. Dens.  
RESPONSE: The quality of the crystals was very 
low and, in addition, there was extensive disosder
in the cation. Thus, the cation has been refined
isotropically in order to avoid inappropriate 
isotropic restraints on anisotropic displacement
parameters. Because of isotropic refinemnet and 
disorder, residual electron densities are present
after refinement. 
;
_vrf_PLAT097_xpbca_a             
;
PROBLEM: Large Reported Max.(Positive) Residual Density
RESPONSE: The quality of the crystals was very 
low and, in addition, there was extensive disosder
in the cation. Thus, the cation has been refined
isotropically in order to avoid inappropriate 
isotropic restraints on anisotropic displacement
parameters. Because of isotropic refinemnet and 
disorder, residual electron densities are present
after refinement. 
;
_vrf_PLAT098_xpbca_a             
;
PROBLEM: Large Reported Min.(Positive) Residual Density
RESPONSE: The quality of the crystals was very 
low and, in addition, there was extensive disosder
in the cation. Thus, the cation has been refined
isotropically in order to avoid inappropriate 
isotropic restraints on anisotropic displacement
parameters. Because of isotropic refinemnet and 
disorder, residual electron densities are present
after refinement. 
;
_vrf_PLAT220_xpbca_a             
;
PROBLEM: NonSolvent Resd 1 C Ueq(max)/Ueq(min) Range
RESPONSE: The quality of the crystals was very 
low and, in addition, there was extensive disosder
in the cation. Thus, the cation has been refined
isotropically in order to avoid inappropriate 
isotropic restraints on anisotropic displacement
parameters. Because of isotropic refinemnet and 
disorder, residual electron densities are present
after refinement. 
;
_vrf_PLAT342_xpbca_a             
;
PROBLEM: Low Bond Precision on C-C Bonds 
RESPONSE: The quality of the crystals was very 
low and, in addition, there was extensive disosder
in the cation. Thus, the cation has been refined
isotropically in order to avoid inappropriate 
isotropic restraints on anisotropic displacement
parameters.
;
# end Validation Reply Form   
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H27 B F4 O2 Ru2'
_chemical_formula_weight         720.47

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'
B B 0.0013 0.0007 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   9.7307(19)
_cell_length_b                   18.031(4)
_cell_length_c                   31.013(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5441.5(19)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9934
_cell_measurement_theta_min      2.259
_cell_measurement_theta_max      27.250

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_F_000             2864
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.166
_shelx_estimated_absorpt_T_min   0.809
_shelx_estimated_absorpt_T_max   0.912
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.1833
_exptl_absorpt_correction_T_max  0.2944
_exptl_absorpt_process_details   
; 
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption correction SADABS).
 R(int) =  0.1770 (selected reflections only, before parameter refinement)
 R(int) =  0.0981 (selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39820
_diffrn_reflns_av_unetI/netI     0.0534
_diffrn_reflns_av_R_equivalents  0.1066
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.259
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_full        25.050
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4817
_reflns_number_gt                4073
_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       'APEX3 (Bruker AXS, 2015)'
_computing_cell_refinement       'APEX3 (Bruker AXS, 2015)'
_computing_data_reduction        'SAINT (Bruker AXS, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEPIII (Johnson, 1996)'
_computing_publication_material  'XCIF 2014/2 (Bruker AXS, 2014)'
_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)+(0.0343P)²+852.3917P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4817
_refine_ls_number_parameters     188
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1640
_refine_ls_R_factor_gt           0.1521
_refine_ls_wR_factor_ref         0.3502
_refine_ls_wR_factor_gt          0.3418
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_restrained_S_all      1.165
_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 0.74491(18) 0.50765(9) 0.37485(5) 0.0139(4) Uiso 1 1 d . . . . .
Ru2 Ru 0.82438(16) 0.63194(9) 0.33132(5) 0.0109(4) Uiso 1 1 d . . . . .
O1 O 0.5899(18) 0.5520(10) 0.4539(5) 0.031(4) Uiso 1 1 d . . . . .
O2 O 0.5286(15) 0.5607(8) 0.3156(4) 0.018(3) Uiso 1 1 d . . . . .
H2 H 0.4940 0.5201 0.3232 0.026 Uiso 1 1 calc R U . . .
C9 C 0.649(2) 0.5363(10) 0.4230(6) 0.008(4) Uiso 1 1 d . . . . .
C5 C 0.6187(19) 0.5821(10) 0.3442(5) 0.005(4) Uiso 1 1 d . . . . .
C2 C 0.618(2) 0.6544(11) 0.3551(6) 0.015(4) Uiso 1 1 d . . . . .
C1 C 0.708(2) 0.6927(11) 0.3833(6) 0.011(4) Uiso 1 1 d . . . . .
H1 H 0.7072 0.7479 0.3800 0.013 Uiso 1 1 calc R U . . .
C7 C 0.834(2) 0.6632(11) 0.4007(6) 0.012(4) Uiso 1 1 d . . . . .
C6 C 0.885(2) 0.5891(11) 0.3930(6) 0.014(4) Uiso 1 1 d . . . . .
C3 C 0.501(2) 0.7045(12) 0.3383(6) 0.016(4) Uiso 1 1 d . . . . .
C8 C 0.363(3) 0.6882(15) 0.3553(8) 0.031(6) Uiso 1 1 d . . . . .
H8A H 0.2981 0.7260 0.3452 0.047 Uiso 1 1 calc R U . . .
H8B H 0.3655 0.6885 0.3869 0.047 Uiso 1 1 calc R U . . .
H8C H 0.3332 0.6393 0.3451 0.047 Uiso 1 1 calc R U . . .
C4 C 0.524(2) 0.7617(11) 0.3123(6) 0.016(4) Uiso 1 1 d . . . . .
H4A H 0.4497 0.7933 0.3042 0.019 Uiso 1 1 calc R U . . .
H4B H 0.6136 0.7711 0.3017 0.019 Uiso 1 1 calc R U . . .
C11 C 0.923(2) 0.7197(11) 0.4239(6) 0.012(4) Uiso 1 1 d . . . . .
C12 C 0.875(2) 0.7456(13) 0.4646(7) 0.023(5) Uiso 1 1 d . . . . .
H12 H 0.7925 0.7267 0.4770 0.027 Uiso 1 1 calc R U . . .
C13 C 0.951(2) 0.7993(13) 0.4857(7) 0.024(5) Uiso 1 1 d . . . . .
H13 H 0.9197 0.8176 0.5126 0.029 Uiso 1 1 calc R U . . .
C14 C 1.073(3) 0.8272(14) 0.4687(7) 0.026(5) Uiso 1 1 d . . . . .
H14 H 1.1242 0.8638 0.4839 0.032 Uiso 1 1 calc R U . . .
C15 C 1.120(2) 0.8008(13) 0.4290(7) 0.023(5) Uiso 1 1 d . . . . .
H15 H 1.2037 0.8189 0.4169 0.028 Uiso 1 1 calc R U . . .
C16 C 1.042(2) 0.7467(12) 0.4071(7) 0.019(4) Uiso 1 1 d . . . . .
H16 H 1.0733 0.7287 0.3801 0.022 Uiso 1 1 calc R U . . .
C21 C 1.017(2) 0.5658(11) 0.4124(6) 0.015(4) Uiso 1 1 d . . . . .
C22 C 1.030(2) 0.5700(12) 0.4568(7) 0.020(5) Uiso 1 1 d . . . . .
H22 H 0.9570 0.5885 0.4740 0.024 Uiso 1 1 calc R U . . .
C23 C 1.151(2) 0.5469(13) 0.4758(7) 0.023(5) Uiso 1 1 d . . . . .
H23 H 1.1618 0.5511 0.5061 0.028 Uiso 1 1 calc R U . . .
C24 C 1.256(3) 0.5182(13) 0.4517(7) 0.023(5) Uiso 1 1 d . . . . .
H24 H 1.3375 0.5012 0.4655 0.028 Uiso 1 1 calc R U . . .
C25 C 1.244(3) 0.5139(13) 0.4065(7) 0.024(5) Uiso 1 1 d . . . . .
H25 H 1.3177 0.4964 0.3890 0.029 Uiso 1 1 calc R U . . .
C26 C 1.122(2) 0.5360(12) 0.3888(7) 0.019(5) Uiso 1 1 d . . . . .
H26 H 1.1093 0.5304 0.3586 0.023 Uiso 1 1 calc R U . . .
C101 C 0.874(3) 0.4058(14) 0.3844(8) 0.032(6) Uiso 1 1 d . . . . .
H101 H 0.9566 0.4029 0.4034 0.038 Uiso 1 1 calc R U . . .
C102 C 0.746(3) 0.3914(15) 0.3970(8) 0.032(6) Uiso 1 1 d . . . . .
H102 H 0.7166 0.3731 0.4261 0.038 Uiso 1 1 calc R U . . .
C103 C 0.663(2) 0.3957(12) 0.3597(7) 0.021(5) Uiso 1 1 d . . . . .
H103 H 0.5628 0.3827 0.3586 0.025 Uiso 1 1 calc R U . . .
C104 C 0.740(3) 0.4153(14) 0.3248(8) 0.029(5) Uiso 1 1 d . . . . .
H104 H 0.7101 0.4190 0.2941 0.035 Uiso 1 1 calc R U . . .
C105 C 0.876(3) 0.4221(14) 0.3410(8) 0.029(6) Uiso 1 1 d . . . . .
H105 H 0.9601 0.4326 0.3235 0.035 Uiso 1 1 calc R U . . .
C201 C 0.967(2) 0.5878(11) 0.2830(6) 0.011(4) Uiso 1 1 d . . . . .
H201 H 1.0132 0.5382 0.2835 0.013 Uiso 1 1 calc R U . . .
C202 C 1.020(2) 0.6539(12) 0.2984(7) 0.020(5) Uiso 1 1 d . . . . .
H202 H 1.1108 0.6602 0.3129 0.024 Uiso 1 1 calc R U . . .
C203 C 0.929(2) 0.7111(12) 0.2879(6) 0.019(5) Uiso 1 1 d . . . . .
H203 H 0.9440 0.7649 0.2940 0.023 Uiso 1 1 calc R U . . .
C204 C 0.816(2) 0.6811(12) 0.2657(6) 0.015(4) Uiso 1 1 d . . . . .
H204 H 0.7378 0.7095 0.2529 0.019 Uiso 1 1 calc R U . . .
C205 C 0.838(2) 0.6062(11) 0.2624(6) 0.012(4) Uiso 1 1 d . . . . .
H205 H 0.7780 0.5705 0.2466 0.014 Uiso 1 1 calc R U . . .
B1 B 0.316(3) 0.3979(15) 0.2942(8) 0.025(6) Uani 1 1 d . . . . .
F1 F 0.2108(13) 0.4497(7) 0.2892(5) 0.031(3) Uani 1 1 d . . . . .
F2 F 0.3239(19) 0.3790(8) 0.3370(5) 0.047(4) Uani 1 1 d . . . . .
F3 F 0.2866(15) 0.3377(7) 0.2690(5) 0.033(3) Uani 1 1 d . . . . .
F4 F 0.4389(13) 0.4298(7) 0.2818(5) 0.029(3) 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 C9 1.836(18) . ?
Ru1 C5 2.053(18) . ?
Ru1 C6 2.08(2) . ?
Ru1 C102 2.21(3) . ?
Ru1 C103 2.22(2) . ?
Ru1 C101 2.24(3) . ?
Ru1 C105 2.26(3) . ?
Ru1 C104 2.28(2) . ?
Ru1 Ru2 2.728(2) . ?
Ru2 C6 2.147(19) . ?
Ru2 C2 2.18(2) . ?
Ru2 C201 2.192(19) . ?
Ru2 C205 2.192(18) . ?
Ru2 C202 2.19(2) . ?
Ru2 C203 2.21(2) . ?
Ru2 C204 2.223(19) . ?
Ru2 C7 2.227(18) . ?
Ru2 C5 2.230(18) . ?
Ru2 C1 2.254(18) . ?
O1 C9 1.15(2) . ?
O2 C5 1.31(2) . ?
O2 H2 0.8400 . ?
C5 C2 1.35(3) . ?
C2 C1 1.42(3) . ?
C2 C3 1.54(3) . ?
C1 C7 1.44(3) . ?
C1 H1 1.0000 . ?
C7 C6 1.45(3) . ?
C7 C11 1.52(3) . ?
C6 C21 1.48(3) . ?
C3 C4 1.33(3) . ?
C3 C8 1.47(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C4 H4A 0.9500 . ?
C4 H4B 0.9500 . ?
C11 C16 1.36(3) . ?
C11 C12 1.42(3) . ?
C12 C13 1.39(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.39(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.40(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.41(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C26 1.36(3) . ?
C21 C22 1.38(3) . ?
C22 C23 1.38(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.37(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.41(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.37(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C101 C102 1.33(4) . ?
C101 C105 1.38(3) . ?
C101 H101 1.0000 . ?
C102 C103 1.41(3) . ?
C102 H102 1.0000 . ?
C103 C104 1.37(3) . ?
C103 H103 1.0000 . ?
C104 C105 1.42(4) . ?
C104 H104 1.0000 . ?
C105 H105 1.0000 . ?
C201 C202 1.38(3) . ?
C201 C205 1.45(3) . ?
C201 H201 1.0000 . ?
C202 C203 1.40(3) . ?
C202 H202 1.0000 . ?
C203 C204 1.40(3) . ?
C203 H203 1.0000 . ?
C204 C205 1.37(3) . ?
C204 H204 1.0000 . ?
C205 H205 1.0000 . ?
B1 F3 1.37(3) . ?
B1 F2 1.37(3) . ?
B1 F4 1.38(3) . ?
B1 F1 1.39(3) . ?

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
C9 Ru1 C5 83.6(7) . . ?
C9 Ru1 C6 85.1(8) . . ?
C5 Ru1 C6 93.2(7) . . ?
C9 Ru1 C102 90.9(9) . . ?
C5 Ru1 C102 140.2(9) . . ?
C6 Ru1 C102 125.7(9) . . ?
C9 Ru1 C103 104.2(8) . . ?
C5 Ru1 C103 106.3(8) . . ?
C6 Ru1 C103 159.1(8) . . ?
C102 Ru1 C103 37.3(9) . . ?
C9 Ru1 C101 114.0(8) . . ?
C5 Ru1 C101 158.6(8) . . ?
C6 Ru1 C101 100.1(9) . . ?
C102 Ru1 C101 34.8(10) . . ?
C103 Ru1 C101 59.0(9) . . ?
C9 Ru1 C105 149.0(8) . . ?
C5 Ru1 C105 124.7(7) . . ?
C6 Ru1 C105 103.8(9) . . ?
C102 Ru1 C105 59.6(9) . . ?
C103 Ru1 C105 59.0(9) . . ?
C101 Ru1 C105 35.7(9) . . ?
C9 Ru1 C104 138.7(9) . . ?
C5 Ru1 C104 98.7(8) . . ?
C6 Ru1 C104 135.5(9) . . ?
C102 Ru1 C104 61.2(9) . . ?
C103 Ru1 C104 35.4(8) . . ?
C101 Ru1 C104 60.2(9) . . ?
C105 Ru1 C104 36.4(9) . . ?
C9 Ru1 Ru2 108.4(6) . . ?
C5 Ru1 Ru2 53.4(5) . . ?
C6 Ru1 Ru2 50.9(5) . . ?
C102 Ru1 Ru2 159.0(7) . . ?
C103 Ru1 Ru2 138.1(5) . . ?
C101 Ru1 Ru2 125.4(7) . . ?
C105 Ru1 Ru2 99.8(6) . . ?
C104 Ru1 Ru2 105.6(6) . . ?
C6 Ru2 C2 91.1(8) . . ?
C6 Ru2 C201 107.7(7) . . ?
C2 Ru2 C201 152.0(7) . . ?
C6 Ru2 C205 140.9(8) . . ?
C2 Ru2 C205 115.2(7) . . ?
C201 Ru2 C205 38.5(7) . . ?
C6 Ru2 C202 104.0(8) . . ?
C2 Ru2 C202 157.4(8) . . ?
C201 Ru2 C202 36.8(8) . . ?
C205 Ru2 C202 62.0(8) . . ?
C6 Ru2 C203 130.5(8) . . ?
C2 Ru2 C203 120.7(8) . . ?
C201 Ru2 C203 61.8(8) . . ?
C205 Ru2 C203 60.9(8) . . ?
C202 Ru2 C203 37.0(8) . . ?
C6 Ru2 C204 166.0(8) . . ?
C2 Ru2 C204 101.7(8) . . ?
C201 Ru2 C204 62.7(7) . . ?
C205 Ru2 C204 36.2(7) . . ?
C202 Ru2 C204 62.2(8) . . ?
C203 Ru2 C204 36.9(8) . . ?
C6 Ru2 C7 38.6(7) . . ?
C2 Ru2 C7 70.3(7) . . ?
C201 Ru2 C7 136.6(7) . . ?
C205 Ru2 C7 173.6(8) . . ?
C202 Ru2 C7 111.7(8) . . ?
C203 Ru2 C7 114.0(8) . . ?
C204 Ru2 C7 141.8(7) . . ?
C6 Ru2 C5 86.7(7) . . ?
C2 Ru2 C5 35.5(7) . . ?
C201 Ru2 C5 123.0(7) . . ?
C205 Ru2 C5 98.4(7) . . ?
C202 Ru2 C5 159.0(7) . . ?
C203 Ru2 C5 141.5(7) . . ?
C204 Ru2 C5 107.0(7) . . ?
C7 Ru2 C5 88.0(7) . . ?
C6 Ru2 C1 71.0(7) . . ?
C2 Ru2 C1 37.3(7) . . ?
C201 Ru2 C1 169.5(7) . . ?
C205 Ru2 C1 146.3(7) . . ?
C202 Ru2 C1 132.8(8) . . ?
C203 Ru2 C1 110.7(8) . . ?
C204 Ru2 C1 116.3(7) . . ?
C7 Ru2 C1 37.4(7) . . ?
C5 Ru2 C1 67.5(7) . . ?
C6 Ru2 Ru1 48.8(6) . . ?
C2 Ru2 Ru1 74.0(5) . . ?
C201 Ru2 Ru1 102.7(5) . . ?
C205 Ru2 Ru1 109.1(5) . . ?
C202 Ru2 Ru1 128.6(6) . . ?
C203 Ru2 Ru1 164.2(6) . . ?
C204 Ru2 Ru1 140.4(5) . . ?
C7 Ru2 Ru1 75.0(5) . . ?
C5 Ru2 Ru1 47.6(5) . . ?
C1 Ru2 Ru1 84.4(5) . . ?
C5 O2 H2 109.5 . . ?
O1 C9 Ru1 177.6(18) . . ?
O2 C5 C2 116.7(17) . . ?
O2 C5 Ru1 121.6(13) . . ?
C2 C5 Ru1 121.5(14) . . ?
O2 C5 Ru2 126.9(12) . . ?
C2 C5 Ru2 70.3(12) . . ?
Ru1 C5 Ru2 79.0(6) . . ?
C5 C2 C1 128.3(19) . . ?
C5 C2 C3 119.3(18) . . ?
C1 C2 C3 112.3(17) . . ?
C5 C2 Ru2 74.2(12) . . ?
C1 C2 Ru2 74.1(12) . . ?
C3 C2 Ru2 132.4(14) . . ?
C2 C1 C7 125.4(18) . . ?
C2 C1 Ru2 68.6(11) . . ?
C7 C1 Ru2 70.3(10) . . ?
C2 C1 H1 114.5 . . ?
C7 C1 H1 114.5 . . ?
Ru2 C1 H1 114.5 . . ?
C1 C7 C6 125.0(18) . . ?
C1 C7 C11 114.5(17) . . ?
C6 C7 C11 120.1(17) . . ?
C1 C7 Ru2 72.3(10) . . ?
C6 C7 Ru2 67.7(10) . . ?
C11 C7 Ru2 130.6(13) . . ?
C7 C6 C21 119.7(18) . . ?
C7 C6 Ru1 118.1(14) . . ?
C21 C6 Ru1 118.6(14) . . ?
C7 C6 Ru2 73.7(11) . . ?
C21 C6 Ru2 134.6(14) . . ?
Ru1 C6 Ru2 80.4(7) . . ?
C4 C3 C8 122(2) . . ?
C4 C3 C2 122.6(19) . . ?
C8 C3 C2 115.7(18) . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C4 H4A 120.0 . . ?
C3 C4 H4B 120.0 . . ?
H4A C4 H4B 120.0 . . ?
C16 C11 C12 120.0(19) . . ?
C16 C11 C7 123.0(17) . . ?
C12 C11 C7 117.0(18) . . ?
C13 C12 C11 118(2) . . ?
C13 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
C12 C13 C14 122(2) . . ?
C12 C13 H13 118.9 . . ?
C14 C13 H13 118.9 . . ?
C13 C14 C15 119(2) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C14 C15 C16 119(2) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C11 C16 C15 121.6(19) . . ?
C11 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C26 C21 C22 119(2) . . ?
C26 C21 C6 122.9(18) . . ?
C22 C21 C6 117.9(19) . . ?
C23 C22 C21 119(2) . . ?
C23 C22 H22 120.5 . . ?
C21 C22 H22 120.5 . . ?
C24 C23 C22 121(2) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C23 C24 C25 120(2) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 117(2) . . ?
C26 C25 H25 121.6 . . ?
C24 C25 H25 121.6 . . ?
C21 C26 C25 123(2) . . ?
C21 C26 H26 118.3 . . ?
C25 C26 H26 118.3 . . ?
C102 C101 C105 110(2) . . ?
C102 C101 Ru1 71.1(16) . . ?
C105 C101 Ru1 72.9(15) . . ?
C102 C101 H101 124.9 . . ?
C105 C101 H101 124.9 . . ?
Ru1 C101 H101 124.9 . . ?
C101 C102 C103 106(2) . . ?
C101 C102 Ru1 74.1(16) . . ?
C103 C102 Ru1 71.9(14) . . ?
C101 C102 H102 126.4 . . ?
C103 C102 H102 126.4 . . ?
Ru1 C102 H102 126.4 . . ?
C104 C103 C102 110(2) . . ?
C104 C103 Ru1 74.5(15) . . ?
C102 C103 Ru1 70.8(14) . . ?
C104 C103 H103 124.8 . . ?
C102 C103 H103 124.8 . . ?
Ru1 C103 H103 124.8 . . ?
C103 C104 C105 105(2) . . ?
C103 C104 Ru1 70.1(14) . . ?
C105 C104 Ru1 71.2(14) . . ?
C103 C104 H104 127.4 . . ?
C105 C104 H104 127.4 . . ?
Ru1 C104 H104 127.4 . . ?
C101 C105 C104 108(2) . . ?
C101 C105 Ru1 71.5(15) . . ?
C104 C105 Ru1 72.4(15) . . ?
C101 C105 H105 125.8 . . ?
C104 C105 H105 125.8 . . ?
Ru1 C105 H105 125.8 . . ?
C202 C201 C205 106.0(18) . . ?
C202 C201 Ru2 71.6(12) . . ?
C205 C201 Ru2 70.8(11) . . ?
C202 C201 H201 126.9 . . ?
C205 C201 H201 126.9 . . ?
Ru2 C201 H201 126.9 . . ?
C201 C202 C203 109(2) . . ?
C201 C202 Ru2 71.6(12) . . ?
C203 C202 Ru2 72.2(13) . . ?
C201 C202 H202 125.5 . . ?
C203 C202 H202 125.5 . . ?
Ru2 C202 H202 125.5 . . ?
C202 C203 C204 109(2) . . ?
C202 C203 Ru2 70.8(13) . . ?
C204 C203 Ru2 72.1(12) . . ?
C202 C203 H203 125.5 . . ?
C204 C203 H203 125.5 . . ?
Ru2 C203 H203 125.5 . . ?
C205 C204 C203 107.0(19) . . ?
C205 C204 Ru2 70.7(11) . . ?
C203 C204 Ru2 71.0(12) . . ?
C205 C204 H204 126.5 . . ?
C203 C204 H204 126.5 . . ?
Ru2 C204 H204 126.5 . . ?
C204 C205 C201 109.3(18) . . ?
C204 C205 Ru2 73.1(11) . . ?
C201 C205 Ru2 70.7(10) . . ?
C204 C205 H205 125.3 . . ?
C201 C205 H205 125.3 . . ?
Ru2 C205 H205 125.3 . . ?
F3 B1 F2 112(2) . . ?
F3 B1 F4 110(2) . . ?
F2 B1 F4 109(2) . . ?
F3 B1 F1 108(2) . . ?
F2 B1 F1 108(2) . . ?
F4 B1 F1 109(2) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2 H2 F4 0.84 2.14 2.727(19) 126.4 .

_refine_diff_density_max         5.935
_refine_diff_density_min         -7.357
_refine_diff_density_rms         0.395

