# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_[Ru2(amtfmp)4Cl2]
_database_code_depnum_ccdc_archive 'CCDC 2054759'
loop_
_audit_author_name
_audit_author_address
'Yusuke Kataoka'
;Shimane University
Japan
;
_audit_update_record             
;
2021-01-08 deposited with the CCDC.	2021-06-02 downloaded from the CCDC.
;

_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            'C27 H22 Cl2 F12 N8 O Ru2'
_chemical_formula_weight         975.56

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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 '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                   10.661(5)
_cell_length_b                   11.254(6)
_cell_length_c                   15.836(7)
_cell_angle_alpha                100.225(5)
_cell_angle_beta                 90.827(6)
_cell_angle_gamma                112.350(6)
_cell_volume                     1722.3(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5506
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      29.6

_exptl_crystal_description       Prism
_exptl_crystal_colour            Blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_F_000             956
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.134
_shelx_estimated_absorpt_T_min   0.742
_shelx_estimated_absorpt_T_max   0.978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'VariMax Rotating Anode'
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            11106
_diffrn_reflns_av_unetI/netI     0.1414
_diffrn_reflns_av_R_equivalents  0.1446
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.597
_diffrn_reflns_theta_max         24.499
_diffrn_reflns_theta_full        24.499
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.980
_reflns_number_total             5628
_reflns_number_gt                4067
_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       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_structure_solution    'SHELXT Version 2018/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_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)+(0.0704P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5628
_refine_ls_number_parameters     469
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0605
_refine_ls_wR_factor_ref         0.1574
_refine_ls_wR_factor_gt          0.1380
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_restrained_S_all      0.971
_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 -0.02727(5) 0.09040(5) 0.49799(3) 0.01794(18) Uani 1 1 d . . . . .
Ru2 Ru 0.89688(5) 0.43412(6) -0.04034(4) 0.02311(19) Uani 1 1 d . . . . .
Cl1 Cl -0.04405(18) 0.30585(16) 0.49403(12) 0.0270(4) Uani 1 1 d . . . . .
Cl2 Cl 0.67076(17) 0.25971(19) -0.10570(12) 0.0326(5) Uani 1 1 d . . . . .
F1 F 0.4255(5) 0.4211(4) 0.7966(3) 0.0537(16) Uani 1 1 d . . . . .
F2 F 0.2127(5) 0.3733(4) 0.7670(3) 0.0501(14) Uani 1 1 d . . . . .
F3 F 0.3540(5) 0.4368(4) 0.6744(3) 0.0505(14) Uani 1 1 d . . . . .
F4 F 0.3373(5) 0.3209(4) 0.3198(3) 0.0555(15) Uani 1 1 d . . . . .
F5 F 0.1480(4) 0.2149(4) 0.2421(3) 0.0405(12) Uani 1 1 d . . . . .
F6 F 0.3323(5) 0.2115(5) 0.1928(3) 0.0509(13) Uani 1 1 d . . . . .
F7 F 0.6558(4) 0.2566(4) 0.2920(3) 0.0405(11) Uani 1 1 d . . . . .
F8 F 0.6154(4) 0.3310(4) 0.1834(3) 0.0399(12) Uani 1 1 d . . . . .
F9 F 0.6674(5) 0.1621(4) 0.1634(3) 0.0423(12) Uani 1 1 d . . . . .
F10 F 0.9361(5) 0.0180(5) -0.0906(3) 0.0515(14) Uani 1 1 d . . . . .
F11 F 1.0288(5) 0.0920(5) -0.1997(3) 0.0517(14) Uani 1 1 d . . . . .
F12 F 1.1157(5) -0.0119(5) -0.1312(4) 0.0649(18) Uani 1 1 d . . . . .
O1 O 1.3732(6) 0.6624(6) 0.3744(4) 0.0479(16) Uani 1 1 d . . . . .
N1 N 0.1848(5) 0.0217(5) 0.5987(4) 0.0207(13) Uani 1 1 d . . . . .
N2 N 0.1216(5) 0.1930(5) 0.5932(4) 0.0206(13) Uani 1 1 d . . . . .
H2 H 0.1355 0.2760 0.6113 0.025 Uiso 1 1 calc R U . . .
N3 N 0.1613(5) -0.0417(5) 0.4077(3) 0.0187(12) Uani 1 1 d . . . . .
N4 N 0.1008(5) 0.1324(5) 0.4069(4) 0.0214(13) Uani 1 1 d . . . . .
H4 H 0.1132 0.2050 0.3883 0.026 Uiso 1 1 calc R U . . .
N5 N 1.0348(5) 0.4957(6) 0.1502(4) 0.0246(14) Uani 1 1 d . . . . .
N6 N 0.8324(5) 0.3760(6) 0.0673(4) 0.0262(14) Uani 1 1 d . . . . .
H6 H 0.7476 0.3195 0.0634 0.031 Uiso 1 1 calc R U . . .
N7 N 1.1750(6) 0.4178(5) 0.0125(4) 0.0257(14) Uani 1 1 d . . . . .
N8 N 0.9743(5) 0.2965(6) -0.0700(4) 0.0278(14) Uani 1 1 d . . . . .
H8 H 0.9222 0.2237 -0.1053 0.033 Uiso 1 1 calc R U . . .
C1 C 0.1994(7) 0.1486(6) 0.6305(4) 0.0201(15) Uani 1 1 d . . . . .
C2 C 0.3035(7) 0.2233(7) 0.7004(4) 0.0227(16) Uani 1 1 d . . . . .
C3 C 0.3788(7) 0.1670(7) 0.7343(5) 0.0286(13) Uani 1 1 d . U . . .
H3 H 0.4472 0.2174 0.7801 0.034 Uiso 1 1 calc R U . . .
C4 C 0.3583(7) 0.0378(7) 0.7037(5) 0.0279(12) Uani 1 1 d . U . . .
H4A H 0.4099 -0.0023 0.7283 0.034 Uiso 1 1 calc R U . . .
C5 C 0.2605(7) -0.0309(7) 0.6362(5) 0.0281(13) Uani 1 1 d . U . . .
H5 H 0.2453 -0.1200 0.6147 0.034 Uiso 1 1 calc R U . . .
C6 C 0.3240(8) 0.3629(7) 0.7341(5) 0.035(2) Uani 1 1 d . . . . .
C7 C 0.1694(6) 0.0627(7) 0.3711(5) 0.0245(17) Uani 1 1 d . . . . .
C8 C 0.2513(6) 0.0904(7) 0.3019(5) 0.0247(17) Uani 1 1 d . . . . .
C9 C 0.3131(7) 0.0088(7) 0.2679(5) 0.0266(17) Uani 1 1 d . . . . .
H9 H 0.3628 0.0234 0.2189 0.032 Uiso 1 1 calc R U . . .
C10 C 0.3019(7) -0.0968(7) 0.3067(5) 0.0332(19) Uani 1 1 d . . . . .
H10 H 0.3466 -0.1533 0.2859 0.040 Uiso 1 1 calc R U . . .
C11 C 0.2261(7) -0.1169(7) 0.3745(5) 0.0284(17) Uani 1 1 d . . . . .
H11 H 0.2187 -0.1893 0.4001 0.034 Uiso 1 1 calc R U . . .
C12 C 0.2673(8) 0.2076(8) 0.2630(5) 0.0343(19) Uani 1 1 d . . . . .
C13 C 0.9001(7) 0.4108(7) 0.1454(5) 0.0230(16) Uani 1 1 d . . . . .
C14 C 0.8442(7) 0.3674(6) 0.2198(5) 0.0228(16) Uani 1 1 d . . . . .
C15 C 0.9243(7) 0.4095(7) 0.2972(5) 0.0276(17) Uani 1 1 d . . . . .
H15 H 0.8871 0.3832 0.3482 0.033 Uiso 1 1 calc R U . . .
C16 C 1.0618(8) 0.4917(8) 0.2987(5) 0.0332(19) Uani 1 1 d . . . . .
H16 H 1.1196 0.5187 0.3506 0.040 Uiso 1 1 calc R U . . .
C17 C 1.1116(7) 0.5323(7) 0.2272(5) 0.0312(19) Uani 1 1 d . . . . .
H17 H 1.2048 0.5892 0.2302 0.037 Uiso 1 1 calc R U . . .
C18 C 0.6974(8) 0.2807(7) 0.2166(5) 0.0308(18) Uani 1 1 d . . . . .
C19 C 1.0962(7) 0.3030(7) -0.0421(5) 0.0265(17) Uani 1 1 d . . . . .
C20 C 1.1465(8) 0.2020(7) -0.0635(5) 0.0330(19) Uani 1 1 d . . . . .
C21 C 1.2721(8) 0.2186(8) -0.0309(5) 0.037(2) Uani 1 1 d . . . . .
H21 H 1.3042 0.1501 -0.0445 0.044 Uiso 1 1 calc R U . . .
C22 C 1.3532(8) 0.3367(8) 0.0224(6) 0.040(2) Uani 1 1 d . . . . .
H22 H 1.4423 0.3511 0.0444 0.048 Uiso 1 1 calc R U . . .
C23 C 1.3021(7) 0.4316(8) 0.0426(5) 0.0335(19) Uani 1 1 d . . . . .
H23 H 1.3577 0.5117 0.0795 0.040 Uiso 1 1 calc R U . . .
C24 C 1.0573(9) 0.0750(8) -0.1213(6) 0.039(2) Uani 1 1 d . . . . .
C25 C 1.4993(11) 0.7971(9) 0.5024(6) 0.071(3) Uani 1 1 d . . . . .
H25A H 1.5104 0.7865 0.5618 0.085 Uiso 1 1 calc R U . . .
H25B H 1.5877 0.8218 0.4781 0.085 Uiso 1 1 calc R U . . .
H25C H 1.4643 0.8658 0.5019 0.085 Uiso 1 1 calc R U . . .
C26 C 1.4022(8) 0.6719(8) 0.4501(6) 0.036(2) Uani 1 1 d . . . . .
C27 C 1.3419(9) 0.5613(8) 0.4957(6) 0.052(2) Uani 1 1 d . . . . .
H27A H 1.3789 0.5895 0.5562 0.062 Uiso 1 1 calc R U . . .
H27B H 1.2428 0.5341 0.4924 0.062 Uiso 1 1 calc R U . . .
H27C H 1.3645 0.4875 0.4686 0.062 Uiso 1 1 calc R U . . .


_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 N4 1.995(6) . ?
Ru1 N2 2.011(5) . ?
Ru1 N3 2.081(6) 2_556 ?
Ru1 N1 2.094(5) 2_556 ?
Ru1 Ru1 2.3296(15) 2_556 ?
Ru1 Cl1 2.510(2) . ?
Ru2 N6 1.973(6) . ?
Ru2 N8 2.007(6) . ?
Ru2 N5 2.066(6) 2_765 ?
Ru2 N7 2.069(6) 2_765 ?
Ru2 Ru2 2.3307(12) 2_765 ?
Ru2 Cl2 2.5186(19) . ?
F1 C6 1.334(8) . ?
F2 C6 1.339(10) . ?
F3 C6 1.332(9) . ?
F4 C12 1.356(9) . ?
F5 C12 1.345(8) . ?
F6 C12 1.318(10) . ?
F7 C18 1.316(9) . ?
F8 C18 1.352(8) . ?
F9 C18 1.365(8) . ?
F10 C24 1.348(10) . ?
F11 C24 1.337(9) . ?
F12 C24 1.334(9) . ?
O1 C26 1.208(10) . ?
N1 C5 1.352(8) . ?
N1 C1 1.375(8) . ?
N1 Ru1 2.094(5) 2_556 ?
N2 C1 1.301(8) . ?
N2 H2 0.8800 . ?
N3 C11 1.328(9) . ?
N3 C7 1.374(9) . ?
N3 Ru1 2.081(6) 2_556 ?
N4 C7 1.327(9) . ?
N4 H4 0.8800 . ?
N5 C17 1.365(8) . ?
N5 C13 1.381(9) . ?
N5 Ru2 2.066(6) 2_765 ?
N6 C13 1.338(8) . ?
N6 H6 0.8800 . ?
N7 C23 1.371(8) . ?
N7 C19 1.371(9) . ?
N7 Ru2 2.069(6) 2_765 ?
N8 C19 1.337(8) . ?
N8 H8 0.8800 . ?
C1 C2 1.445(9) . ?
C2 C3 1.353(9) . ?
C2 C6 1.496(10) . ?
C3 C4 1.379(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.374(9) . ?
C4 H4A 0.9500 . ?
C5 H5 0.9500 . ?
C7 C8 1.416(11) . ?
C8 C9 1.364(10) . ?
C8 C12 1.506(10) . ?
C9 C10 1.399(11) . ?
C9 H9 0.9500 . ?
C10 C11 1.353(11) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C13 C14 1.409(10) . ?
C14 C15 1.383(9) . ?
C14 C18 1.491(10) . ?
C15 C16 1.402(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.338(11) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C19 C20 1.424(10) . ?
C20 C21 1.360(10) . ?
C20 C24 1.504(10) . ?
C21 C22 1.390(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.367(11) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C25 C26 1.482(11) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.486(12) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?

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
N4 Ru1 N2 92.5(2) . . ?
N4 Ru1 N3 178.6(2) . 2_556 ?
N2 Ru1 N3 88.0(2) . 2_556 ?
N4 Ru1 N1 88.9(2) . 2_556 ?
N2 Ru1 N1 178.0(2) . 2_556 ?
N3 Ru1 N1 90.5(2) 2_556 2_556 ?
N4 Ru1 Ru1 87.83(16) . 2_556 ?
N2 Ru1 Ru1 88.04(15) . 2_556 ?
N3 Ru1 Ru1 90.85(14) 2_556 2_556 ?
N1 Ru1 Ru1 90.62(14) 2_556 2_556 ?
N4 Ru1 Cl1 85.53(16) . . ?
N2 Ru1 Cl1 85.39(15) . . ?
N3 Ru1 Cl1 95.85(15) 2_556 . ?
N1 Ru1 Cl1 96.11(14) 2_556 . ?
Ru1 Ru1 Cl1 170.44(5) 2_556 . ?
N6 Ru2 N8 92.4(3) . . ?
N6 Ru2 N5 177.1(2) . 2_765 ?
N8 Ru2 N5 90.1(3) . 2_765 ?
N6 Ru2 N7 89.9(3) . 2_765 ?
N8 Ru2 N7 177.2(2) . 2_765 ?
N5 Ru2 N7 87.5(2) 2_765 2_765 ?
N6 Ru2 Ru2 86.38(15) . 2_765 ?
N8 Ru2 Ru2 87.27(15) . 2_765 ?
N5 Ru2 Ru2 92.38(14) 2_765 2_765 ?
N7 Ru2 Ru2 91.26(15) 2_765 2_765 ?
N6 Ru2 Cl2 83.23(16) . . ?
N8 Ru2 Cl2 86.82(16) . . ?
N5 Ru2 Cl2 98.28(15) 2_765 . ?
N7 Ru2 Cl2 95.07(15) 2_765 . ?
Ru2 Ru2 Cl2 167.81(6) 2_765 . ?
C5 N1 C1 119.9(6) . . ?
C5 N1 Ru1 122.1(5) . 2_556 ?
C1 N1 Ru1 117.6(4) . 2_556 ?
C1 N2 Ru1 126.3(5) . . ?
C1 N2 H2 116.9 . . ?
Ru1 N2 H2 116.9 . . ?
C11 N3 C7 118.9(7) . . ?
C11 N3 Ru1 122.3(5) . 2_556 ?
C7 N3 Ru1 118.3(5) . 2_556 ?
C7 N4 Ru1 127.0(5) . . ?
C7 N4 H4 116.5 . . ?
Ru1 N4 H4 116.5 . . ?
C17 N5 C13 118.5(6) . . ?
C17 N5 Ru2 124.4(5) . 2_765 ?
C13 N5 Ru2 116.9(4) . 2_765 ?
C13 N6 Ru2 128.9(5) . . ?
C13 N6 H6 115.5 . . ?
Ru2 N6 H6 115.5 . . ?
C23 N7 C19 117.9(6) . . ?
C23 N7 Ru2 122.8(5) . 2_765 ?
C19 N7 Ru2 119.2(4) . 2_765 ?
C19 N8 Ru2 127.3(5) . . ?
C19 N8 H8 116.4 . . ?
Ru2 N8 H8 116.4 . . ?
N2 C1 N1 117.3(6) . . ?
N2 C1 C2 125.3(6) . . ?
N1 C1 C2 117.4(6) . . ?
C3 C2 C1 120.3(6) . . ?
C3 C2 C6 121.5(6) . . ?
C1 C2 C6 118.2(6) . . ?
C2 C3 C4 121.2(6) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 117.5(6) . . ?
C5 C4 H4A 121.2 . . ?
C3 C4 H4A 121.2 . . ?
N1 C5 C4 123.5(7) . . ?
N1 C5 H5 118.2 . . ?
C4 C5 H5 118.2 . . ?
F3 C6 F1 106.2(6) . . ?
F3 C6 F2 106.0(6) . . ?
F1 C6 F2 106.8(7) . . ?
F3 C6 C2 113.6(7) . . ?
F1 C6 C2 111.8(6) . . ?
F2 C6 C2 112.0(7) . . ?
N4 C7 N3 115.6(7) . . ?
N4 C7 C8 125.3(7) . . ?
N3 C7 C8 119.1(6) . . ?
C9 C8 C7 120.3(7) . . ?
C9 C8 C12 119.4(7) . . ?
C7 C8 C12 120.3(7) . . ?
C8 C9 C10 118.7(8) . . ?
C8 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
C11 C10 C9 118.7(7) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
N3 C11 C10 124.1(7) . . ?
N3 C11 H11 117.9 . . ?
C10 C11 H11 117.9 . . ?
F6 C12 F5 106.6(6) . . ?
F6 C12 F4 107.1(7) . . ?
F5 C12 F4 104.9(6) . . ?
F6 C12 C8 113.2(7) . . ?
F5 C12 C8 113.4(6) . . ?
F4 C12 C8 111.0(6) . . ?
N6 C13 N5 115.1(6) . . ?
N6 C13 C14 125.0(6) . . ?
N5 C13 C14 119.8(6) . . ?
C15 C14 C13 119.9(6) . . ?
C15 C14 C18 119.6(7) . . ?
C13 C14 C18 120.4(6) . . ?
C14 C15 C16 118.5(7) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
C17 C16 C15 120.1(6) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 N5 123.0(7) . . ?
C16 C17 H17 118.5 . . ?
N5 C17 H17 118.5 . . ?
F7 C18 F8 107.1(6) . . ?
F7 C18 F9 106.7(6) . . ?
F8 C18 F9 104.5(6) . . ?
F7 C18 C14 114.2(6) . . ?
F8 C18 C14 112.0(6) . . ?
F9 C18 C14 111.7(7) . . ?
N8 C19 N7 114.9(6) . . ?
N8 C19 C20 125.6(6) . . ?
N7 C19 C20 119.5(6) . . ?
C21 C20 C19 120.8(7) . . ?
C21 C20 C24 120.3(7) . . ?
C19 C20 C24 118.9(6) . . ?
C20 C21 C22 119.5(7) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 118.6(6) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
C22 C23 N7 123.7(7) . . ?
C22 C23 H23 118.2 . . ?
N7 C23 H23 118.2 . . ?
F12 C24 F11 107.7(7) . . ?
F12 C24 F10 106.9(7) . . ?
F11 C24 F10 105.9(6) . . ?
F12 C24 C20 111.7(6) . . ?
F11 C24 C20 111.9(7) . . ?
F10 C24 C20 112.4(7) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O1 C26 C25 120.9(8) . . ?
O1 C26 C27 122.5(7) . . ?
C25 C26 C27 116.6(8) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N2 C1 N1 4.3(10) . . . . ?
Ru1 N2 C1 C2 -178.3(5) . . . . ?
C5 N1 C1 N2 -178.4(6) . . . . ?
Ru1 N1 C1 N2 -5.6(9) 2_556 . . . ?
C5 N1 C1 C2 4.0(10) . . . . ?
Ru1 N1 C1 C2 176.8(5) 2_556 . . . ?
N2 C1 C2 C3 -179.9(7) . . . . ?
N1 C1 C2 C3 -2.4(11) . . . . ?
N2 C1 C2 C6 0.7(11) . . . . ?
N1 C1 C2 C6 178.1(7) . . . . ?
C1 C2 C3 C4 -0.2(12) . . . . ?
C6 C2 C3 C4 179.2(7) . . . . ?
C2 C3 C4 C5 1.4(12) . . . . ?
C1 N1 C5 C4 -3.0(12) . . . . ?
Ru1 N1 C5 C4 -175.4(6) 2_556 . . . ?
C3 C4 C5 N1 0.2(12) . . . . ?
C3 C2 C6 F3 122.4(8) . . . . ?
C1 C2 C6 F3 -58.1(9) . . . . ?
C3 C2 C6 F1 2.3(12) . . . . ?
C1 C2 C6 F1 -178.3(7) . . . . ?
C3 C2 C6 F2 -117.5(8) . . . . ?
C1 C2 C6 F2 61.9(9) . . . . ?
Ru1 N4 C7 N3 -7.3(8) . . . . ?
Ru1 N4 C7 C8 174.8(5) . . . . ?
C11 N3 C7 N4 179.2(5) . . . . ?
Ru1 N3 C7 N4 7.2(7) 2_556 . . . ?
C11 N3 C7 C8 -2.8(9) . . . . ?
Ru1 N3 C7 C8 -174.7(4) 2_556 . . . ?
N4 C7 C8 C9 -177.4(6) . . . . ?
N3 C7 C8 C9 4.8(9) . . . . ?
N4 C7 C8 C12 0.5(10) . . . . ?
N3 C7 C8 C12 -177.3(6) . . . . ?
C7 C8 C9 C10 -4.5(9) . . . . ?
C12 C8 C9 C10 177.5(6) . . . . ?
C8 C9 C10 C11 2.4(10) . . . . ?
C7 N3 C11 C10 0.7(9) . . . . ?
Ru1 N3 C11 C10 172.3(5) 2_556 . . . ?
C9 C10 C11 N3 -0.4(10) . . . . ?
C9 C8 C12 F6 5.8(9) . . . . ?
C7 C8 C12 F6 -172.1(6) . . . . ?
C9 C8 C12 F5 127.5(7) . . . . ?
C7 C8 C12 F5 -50.4(9) . . . . ?
C9 C8 C12 F4 -114.7(7) . . . . ?
C7 C8 C12 F4 67.4(8) . . . . ?
Ru2 N6 C13 N5 -2.4(9) . . . . ?
Ru2 N6 C13 C14 177.8(5) . . . . ?
C17 N5 C13 N6 -177.9(6) . . . . ?
Ru2 N5 C13 N6 5.1(8) 2_765 . . . ?
C17 N5 C13 C14 1.9(10) . . . . ?
Ru2 N5 C13 C14 -175.1(5) 2_765 . . . ?
N6 C13 C14 C15 179.6(6) . . . . ?
N5 C13 C14 C15 -0.2(10) . . . . ?
N6 C13 C14 C18 -3.0(11) . . . . ?
N5 C13 C14 C18 177.2(6) . . . . ?
C13 C14 C15 C16 -2.1(10) . . . . ?
C18 C14 C15 C16 -179.5(7) . . . . ?
C14 C15 C16 C17 2.7(11) . . . . ?
C15 C16 C17 N5 -1.0(12) . . . . ?
C13 N5 C17 C16 -1.3(11) . . . . ?
Ru2 N5 C17 C16 175.4(6) 2_765 . . . ?
C15 C14 C18 F7 2.9(10) . . . . ?
C13 C14 C18 F7 -174.5(6) . . . . ?
C15 C14 C18 F8 124.8(7) . . . . ?
C13 C14 C18 F8 -52.5(9) . . . . ?
C15 C14 C18 F9 -118.4(7) . . . . ?
C13 C14 C18 F9 64.3(8) . . . . ?
Ru2 N8 C19 N7 -0.3(10) . . . . ?
Ru2 N8 C19 C20 178.8(6) . . . . ?
C23 N7 C19 N8 -179.1(6) . . . . ?
Ru2 N7 C19 N8 -2.6(9) 2_765 . . . ?
C23 N7 C19 C20 1.7(11) . . . . ?
Ru2 N7 C19 C20 178.2(6) 2_765 . . . ?
N8 C19 C20 C21 -179.6(8) . . . . ?
N7 C19 C20 C21 -0.5(12) . . . . ?
N8 C19 C20 C24 -0.9(12) . . . . ?
N7 C19 C20 C24 178.2(7) . . . . ?
C19 C20 C21 C22 -1.4(13) . . . . ?
C24 C20 C21 C22 180.0(8) . . . . ?
C20 C21 C22 C23 1.9(13) . . . . ?
C21 C22 C23 N7 -0.6(13) . . . . ?
C19 N7 C23 C22 -1.2(12) . . . . ?
Ru2 N7 C23 C22 -177.6(6) 2_765 . . . ?
C21 C20 C24 F12 2.3(12) . . . . ?
C19 C20 C24 F12 -176.4(7) . . . . ?
C21 C20 C24 F11 -118.5(9) . . . . ?
C19 C20 C24 F11 62.8(10) . . . . ?
C21 C20 C24 F10 122.4(9) . . . . ?
C19 C20 C24 F10 -56.2(10) . . . . ?

_refine_diff_density_max         2.151
_refine_diff_density_min         -2.263
_refine_diff_density_rms         0.233






####################################################################### 
# 
# 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_[CoCps2][Ru2(amtfmp)4Cl2]
_database_code_depnum_ccdc_archive 'CCDC 2054760'
loop_
_audit_author_name
_audit_author_address
'Yusuke Kataoka'
;Shimane University
Japan
;
_audit_update_record             
;
2021-01-08 deposited with the CCDC.	2021-06-02 downloaded from the CCDC.
;

_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            'C44 H46 Cl2 Co F12 N8 Ru2'
_chemical_formula_weight         1246.86

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 '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           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   14.0204(5)
_cell_length_b                   10.3722(4)
_cell_length_c                   16.8406(6)
_cell_angle_alpha                90
_cell_angle_beta                 96.297(3)
_cell_angle_gamma                90
_cell_volume                     2434.22(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    11657
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      31.42

_exptl_crystal_description       Platelet
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_F_000             1246
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_exptl_absorpt_coefficient_mu    1.147
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.86230
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       '/w scans'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_reflns_number            14631
_diffrn_reflns_av_unetI/netI     0.0288
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.661
_diffrn_reflns_theta_max         24.249
_diffrn_reflns_theta_full        24.249
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             3910
_reflns_number_gt                3632
_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       'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SHELXT Version 2018/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_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)+41.5918P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3910
_refine_ls_number_parameters     313
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0799
_refine_ls_wR_factor_ref         0.1898
_refine_ls_wR_factor_gt          0.1883
_refine_ls_goodness_of_fit_ref   1.358
_refine_ls_restrained_S_all      1.358
_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 0.44721(5) 0.42645(8) 0.46816(5) 0.0256(3) Uani 1 1 d . . . . .
Co1 Co 0.0000 1.0000 0.5000 0.0322(5) Uani 1 2 d S . P . .
Cl1 Cl 0.32181(18) 0.2601(3) 0.41841(16) 0.0364(6) Uani 1 1 d . . . . .
F1 F 0.2026(5) 0.4295(8) 0.6520(5) 0.062(2) Uani 1 1 d . . . . .
F2 F 0.1474(5) 0.5567(8) 0.5596(4) 0.0553(19) Uani 1 1 d . . . . .
F3 F 0.1334(5) 0.6065(8) 0.6812(5) 0.065(2) Uani 1 1 d . . . . .
F4 F 0.4460(5) 0.1047(8) 0.6739(5) 0.070(2) Uani 1 1 d . . . . .
F5 F 0.5714(7) 0.0168(8) 0.7333(6) 0.081(3) Uani 1 1 d . . . . .
F6 F 0.5487(7) 0.0250(8) 0.6040(5) 0.074(2) Uani 1 1 d . . . . .
N1 N 0.4494(6) 0.6377(8) 0.6032(5) 0.0276(19) Uani 1 1 d . . . . .
N2 N 0.3489(6) 0.4891(9) 0.5388(5) 0.031(2) Uani 1 1 d . . . . .
H2 H 0.2925 0.4509 0.5327 0.037 Uiso 1 1 calc R U . . .
N3 N 0.6012(6) 0.4372(9) 0.6171(5) 0.031(2) Uani 1 1 d . . . . .
N4 N 0.4963(6) 0.2940(8) 0.5517(5) 0.0277(19) Uani 1 1 d . . . . .
H4A H 0.4714 0.2161 0.5472 0.033 Uiso 1 1 calc R U . . .
C1 C 0.3603(7) 0.5807(11) 0.5929(6) 0.028(2) Uani 1 1 d . . . . .
C2 C 0.2870(7) 0.6243(11) 0.6405(6) 0.030(2) Uani 1 1 d . . . . .
C3 C 0.3066(8) 0.7232(12) 0.6916(6) 0.039(3) Uani 1 1 d . . . . .
H3 H 0.2580 0.7523 0.7225 0.047 Uiso 1 1 calc R U . . .
C4 C 0.3950(8) 0.7838(11) 0.7006(7) 0.039(3) Uani 1 1 d . . . . .
H4 H 0.4080 0.8552 0.7355 0.046 Uiso 1 1 calc R U . . .
C5 C 0.4637(8) 0.7335(11) 0.6553(6) 0.035(3) Uani 1 1 d . . . . .
H5 H 0.5259 0.7709 0.6623 0.042 Uiso 1 1 calc R U . . .
C6 C 0.1938(8) 0.5552(12) 0.6329(7) 0.038(3) Uani 1 1 d . . . . .
C7 C 0.5627(7) 0.3156(10) 0.6120(6) 0.029(2) Uani 1 1 d . . . . .
C8 C 0.5925(9) 0.2194(12) 0.6716(7) 0.044(3) Uani 1 1 d . . . . .
C9 C 0.6663(9) 0.2480(13) 0.7293(7) 0.052(3) Uani 1 1 d . . . . .
H9 H 0.6885 0.1828 0.7664 0.062 Uiso 1 1 calc R U . . .
C10 C 0.7091(8) 0.3662(12) 0.7355(8) 0.049(3) Uani 1 1 d . . . . .
H10 H 0.7581 0.3871 0.7770 0.059 Uiso 1 1 calc R U . . .
C11 C 0.6748(9) 0.4559(12) 0.6750(7) 0.045(3) Uani 1 1 d . . . . .
H11 H 0.7067 0.5367 0.6753 0.054 Uiso 1 1 calc R U . . .
C12 C 0.5425(10) 0.0938(13) 0.6695(9) 0.055(3) Uani 1 1 d . . . . .
C13 C 0.0578(7) 0.9161(12) 0.6049(7) 0.039(3) Uani 1 1 d . . . . .
C14 C 0.0103(8) 0.8228(12) 0.5534(7) 0.042(3) Uani 1 1 d . . . . .
C15 C 0.0542(8) 0.8191(10) 0.4811(7) 0.036(3) Uani 1 1 d . . . . .
C16 C 0.1296(8) 0.9123(12) 0.4876(7) 0.039(3) Uani 1 1 d . . . . .
C17 C 0.1328(7) 0.9694(10) 0.5636(7) 0.036(3) Uani 1 1 d . . . . .
C18 C 0.0375(9) 0.9464(14) 0.6886(7) 0.052(3) Uani 1 1 d . . . . .
H18A H 0.0808 1.0148 0.7106 0.062 Uiso 1 1 calc R U . . .
H18B H -0.0291 0.9751 0.6880 0.062 Uiso 1 1 calc R U . . .
H18C H 0.0477 0.8689 0.7218 0.062 Uiso 1 1 calc R U . . .
C19 C -0.0688(9) 0.7345(13) 0.5734(9) 0.054(3) Uani 1 1 d . . . . .
H19A H -0.0889 0.6795 0.5272 0.065 Uiso 1 1 calc R U . . .
H19B H -0.0454 0.6804 0.6191 0.065 Uiso 1 1 calc R U . . .
H19C H -0.1234 0.7859 0.5867 0.065 Uiso 1 1 calc R U . . .
C20 C 0.0309(10) 0.7312(13) 0.4109(8) 0.054(3) Uani 1 1 d . . . . .
H20A H 0.0731 0.7510 0.3698 0.065 Uiso 1 1 calc R U . . .
H20B H 0.0407 0.6415 0.4281 0.065 Uiso 1 1 calc R U . . .
H20C H -0.0361 0.7437 0.3890 0.065 Uiso 1 1 calc R U . . .
C21 C 0.1984(9) 0.9386(13) 0.4281(8) 0.050(3) Uani 1 1 d . . . . .
H21A H 0.1808 0.8870 0.3800 0.060 Uiso 1 1 calc R U . . .
H21B H 0.1962 1.0304 0.4141 0.060 Uiso 1 1 calc R U . . .
H21C H 0.2635 0.9158 0.4511 0.060 Uiso 1 1 calc R U . . .
C22 C 0.2025(8) 1.0740(14) 0.5976(8) 0.050(3) Uani 1 1 d . . . . .
H22A H 0.1888 1.0962 0.6518 0.061 Uiso 1 1 calc R U . . .
H22B H 0.2685 1.0422 0.5992 0.061 Uiso 1 1 calc R U . . .
H22C H 0.1948 1.1508 0.5636 0.061 Uiso 1 1 calc R U . . .


_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 N2 2.025(8) . ?
Ru1 N4 2.031(8) . ?
Ru1 N3 2.076(9) 3_666 ?
Ru1 N1 2.091(8) 3_666 ?
Ru1 Ru1 2.3066(16) 3_666 ?
Ru1 Cl1 2.539(3) . ?
Co1 C14 2.044(11) . ?
Co1 C14 2.044(11) 3_576 ?
Co1 C13 2.054(11) 3_576 ?
Co1 C13 2.054(11) . ?
Co1 C15 2.062(11) 3_576 ?
Co1 C15 2.062(11) . ?
Co1 C16 2.063(11) . ?
Co1 C16 2.063(11) 3_576 ?
Co1 C17 2.069(11) . ?
Co1 C17 2.069(11) 3_576 ?
F1 C6 1.346(14) . ?
F2 C6 1.331(13) . ?
F3 C6 1.346(12) . ?
F4 C12 1.368(15) . ?
F5 C12 1.364(15) . ?
F6 C12 1.325(16) . ?
N1 C5 1.327(14) . ?
N1 C1 1.375(12) . ?
N1 Ru1 2.091(8) 3_666 ?
N2 C1 1.313(13) . ?
N2 H2 0.8800 . ?
N3 C11 1.353(14) . ?
N3 C7 1.372(14) . ?
N3 Ru1 2.076(9) 3_666 ?
N4 C7 1.320(13) . ?
N4 H4A 0.8800 . ?
C1 C2 1.445(14) . ?
C2 C3 1.348(16) . ?
C2 C6 1.483(15) . ?
C3 C4 1.383(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.395(15) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C7 C8 1.443(15) . ?
C8 C9 1.372(17) . ?
C8 C12 1.478(18) . ?
C9 C10 1.363(18) . ?
C9 H9 0.9500 . ?
C10 C11 1.424(16) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C13 C14 1.416(17) . ?
C13 C17 1.434(15) . ?
C13 C18 1.501(16) . ?
C14 C15 1.425(16) . ?
C14 C19 1.504(15) . ?
C15 C16 1.428(15) . ?
C15 C20 1.500(16) . ?
C16 C17 1.405(16) . ?
C16 C21 1.491(15) . ?
C17 C22 1.529(16) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?

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
N2 Ru1 N4 90.6(3) . . ?
N2 Ru1 N3 89.8(3) . 3_666 ?
N4 Ru1 N3 179.3(3) . 3_666 ?
N2 Ru1 N1 179.0(3) . 3_666 ?
N4 Ru1 N1 88.8(3) . 3_666 ?
N3 Ru1 N1 90.8(3) 3_666 3_666 ?
N2 Ru1 Ru1 87.6(2) . 3_666 ?
N4 Ru1 Ru1 88.5(2) . 3_666 ?
N3 Ru1 Ru1 90.9(2) 3_666 3_666 ?
N1 Ru1 Ru1 91.6(2) 3_666 3_666 ?
N2 Ru1 Cl1 85.4(2) . . ?
N4 Ru1 Cl1 86.5(2) . . ?
N3 Ru1 Cl1 94.2(2) 3_666 . ?
N1 Ru1 Cl1 95.3(2) 3_666 . ?
Ru1 Ru1 Cl1 171.38(8) 3_666 . ?
C14 Co1 C14 180.0 . 3_576 ?
C14 Co1 C13 139.6(5) . 3_576 ?
C14 Co1 C13 40.4(5) 3_576 3_576 ?
C14 Co1 C13 40.4(5) . . ?
C14 Co1 C13 139.6(5) 3_576 . ?
C13 Co1 C13 180.0(5) 3_576 . ?
C14 Co1 C15 139.4(5) . 3_576 ?
C14 Co1 C15 40.6(5) 3_576 3_576 ?
C13 Co1 C15 68.3(5) 3_576 3_576 ?
C13 Co1 C15 111.7(5) . 3_576 ?
C14 Co1 C15 40.6(5) . . ?
C14 Co1 C15 139.4(5) 3_576 . ?
C13 Co1 C15 111.7(5) 3_576 . ?
C13 Co1 C15 68.3(5) . . ?
C15 Co1 C15 180.0 3_576 . ?
C14 Co1 C16 68.1(5) . . ?
C14 Co1 C16 111.9(5) 3_576 . ?
C13 Co1 C16 111.6(4) 3_576 . ?
C13 Co1 C16 68.4(4) . . ?
C15 Co1 C16 139.5(4) 3_576 . ?
C15 Co1 C16 40.5(4) . . ?
C14 Co1 C16 111.9(5) . 3_576 ?
C14 Co1 C16 68.1(5) 3_576 3_576 ?
C13 Co1 C16 68.4(4) 3_576 3_576 ?
C13 Co1 C16 111.6(4) . 3_576 ?
C15 Co1 C16 40.5(4) 3_576 3_576 ?
C15 Co1 C16 139.5(4) . 3_576 ?
C16 Co1 C16 180.0(7) . 3_576 ?
C14 Co1 C17 67.5(4) . . ?
C14 Co1 C17 112.5(4) 3_576 . ?
C13 Co1 C17 139.3(4) 3_576 . ?
C13 Co1 C17 40.7(4) . . ?
C15 Co1 C17 112.7(4) 3_576 . ?
C15 Co1 C17 67.3(4) . . ?
C16 Co1 C17 39.8(4) . . ?
C16 Co1 C17 140.2(4) 3_576 . ?
C14 Co1 C17 112.5(4) . 3_576 ?
C14 Co1 C17 67.5(4) 3_576 3_576 ?
C13 Co1 C17 40.7(4) 3_576 3_576 ?
C13 Co1 C17 139.3(4) . 3_576 ?
C15 Co1 C17 67.3(4) 3_576 3_576 ?
C15 Co1 C17 112.7(4) . 3_576 ?
C16 Co1 C17 140.2(4) . 3_576 ?
C16 Co1 C17 39.8(4) 3_576 3_576 ?
C17 Co1 C17 180.0 . 3_576 ?
C5 N1 C1 118.4(9) . . ?
C5 N1 Ru1 123.6(7) . 3_666 ?
C1 N1 Ru1 117.9(7) . 3_666 ?
C1 N2 Ru1 126.9(7) . . ?
C1 N2 H2 116.5 . . ?
Ru1 N2 H2 116.5 . . ?
C11 N3 C7 116.1(9) . . ?
C11 N3 Ru1 124.5(8) . 3_666 ?
C7 N3 Ru1 119.1(6) . 3_666 ?
C7 N4 Ru1 125.1(7) . . ?
C7 N4 H4A 117.4 . . ?
Ru1 N4 H4A 117.4 . . ?
N2 C1 N1 116.0(9) . . ?
N2 C1 C2 124.9(9) . . ?
N1 C1 C2 119.1(10) . . ?
C3 C2 C1 119.0(10) . . ?
C3 C2 C6 122.6(10) . . ?
C1 C2 C6 118.3(10) . . ?
C2 C3 C4 122.2(10) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 H3 118.9 . . ?
C3 C4 C5 115.7(10) . . ?
C3 C4 H4 122.1 . . ?
C5 C4 H4 122.1 . . ?
N1 C5 C4 125.4(10) . . ?
N1 C5 H5 117.3 . . ?
C4 C5 H5 117.3 . . ?
F2 C6 F1 104.8(10) . . ?
F2 C6 F3 106.2(9) . . ?
F1 C6 F3 106.6(9) . . ?
F2 C6 C2 114.2(9) . . ?
F1 C6 C2 113.1(9) . . ?
F3 C6 C2 111.3(10) . . ?
N4 C7 N3 116.3(9) . . ?
N4 C7 C8 123.0(10) . . ?
N3 C7 C8 120.7(9) . . ?
C9 C8 C7 118.8(12) . . ?
C9 C8 C12 121.7(12) . . ?
C7 C8 C12 119.5(10) . . ?
C10 C9 C8 122.6(12) . . ?
C10 C9 H9 118.7 . . ?
C8 C9 H9 118.7 . . ?
C9 C10 C11 114.9(11) . . ?
C9 C10 H10 122.5 . . ?
C11 C10 H10 122.5 . . ?
N3 C11 C10 126.3(11) . . ?
N3 C11 H11 116.8 . . ?
C10 C11 H11 116.8 . . ?
F6 C12 F5 107.4(11) . . ?
F6 C12 F4 104.2(11) . . ?
F5 C12 F4 102.5(11) . . ?
F6 C12 C8 114.8(12) . . ?
F5 C12 C8 113.5(11) . . ?
F4 C12 C8 113.3(11) . . ?
C14 C13 C17 106.7(10) . . ?
C14 C13 C18 126.3(11) . . ?
C17 C13 C18 126.9(11) . . ?
C14 C13 Co1 69.4(6) . . ?
C17 C13 Co1 70.2(6) . . ?
C18 C13 Co1 128.4(9) . . ?
C13 C14 C15 108.9(10) . . ?
C13 C14 C19 126.0(11) . . ?
C15 C14 C19 124.9(12) . . ?
C13 C14 Co1 70.2(7) . . ?
C15 C14 Co1 70.4(6) . . ?
C19 C14 Co1 128.9(9) . . ?
C14 C15 C16 107.5(10) . . ?
C14 C15 C20 127.8(11) . . ?
C16 C15 C20 124.6(11) . . ?
C14 C15 Co1 69.0(7) . . ?
C16 C15 Co1 69.8(6) . . ?
C20 C15 Co1 128.5(8) . . ?
C17 C16 C15 107.8(10) . . ?
C17 C16 C21 125.2(11) . . ?
C15 C16 C21 126.9(11) . . ?
C17 C16 Co1 70.3(6) . . ?
C15 C16 Co1 69.7(6) . . ?
C21 C16 Co1 129.0(9) . . ?
C16 C17 C13 109.1(10) . . ?
C16 C17 C22 126.5(11) . . ?
C13 C17 C22 124.3(11) . . ?
C16 C17 Co1 69.9(6) . . ?
C13 C17 Co1 69.1(6) . . ?
C22 C17 Co1 125.9(8) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N2 C1 N1 -1.4(13) . . . . ?
Ru1 N2 C1 C2 178.3(7) . . . . ?
C5 N1 C1 N2 177.9(9) . . . . ?
Ru1 N1 C1 N2 0.6(12) 3_666 . . . ?
C5 N1 C1 C2 -1.8(14) . . . . ?
Ru1 N1 C1 C2 -179.1(7) 3_666 . . . ?
N2 C1 C2 C3 -177.1(10) . . . . ?
N1 C1 C2 C3 2.6(15) . . . . ?
N2 C1 C2 C6 4.8(15) . . . . ?
N1 C1 C2 C6 -175.5(9) . . . . ?
C1 C2 C3 C4 -0.6(16) . . . . ?
C6 C2 C3 C4 177.4(11) . . . . ?
C2 C3 C4 C5 -2.0(17) . . . . ?
C1 N1 C5 C4 -1.0(16) . . . . ?
Ru1 N1 C5 C4 176.2(9) 3_666 . . . ?
C3 C4 C5 N1 2.9(17) . . . . ?
C3 C2 C6 F2 122.0(11) . . . . ?
C1 C2 C6 F2 -60.1(13) . . . . ?
C3 C2 C6 F1 -118.2(12) . . . . ?
C1 C2 C6 F1 59.7(13) . . . . ?
C3 C2 C6 F3 1.7(15) . . . . ?
C1 C2 C6 F3 179.7(9) . . . . ?
Ru1 N4 C7 N3 -0.7(13) . . . . ?
Ru1 N4 C7 C8 177.6(8) . . . . ?
C11 N3 C7 N4 -174.6(9) . . . . ?
Ru1 N3 C7 N4 0.2(12) 3_666 . . . ?
C11 N3 C7 C8 7.1(14) . . . . ?
Ru1 N3 C7 C8 -178.2(8) 3_666 . . . ?
N4 C7 C8 C9 175.9(11) . . . . ?
N3 C7 C8 C9 -5.8(16) . . . . ?
N4 C7 C8 C12 -4.8(17) . . . . ?
N3 C7 C8 C12 173.5(10) . . . . ?
C7 C8 C9 C10 3.8(19) . . . . ?
C12 C8 C9 C10 -175.5(13) . . . . ?
C8 C9 C10 C11 -3(2) . . . . ?
C7 N3 C11 C10 -6.8(18) . . . . ?
Ru1 N3 C11 C10 178.7(10) 3_666 . . . ?
C9 C10 C11 N3 5(2) . . . . ?
C9 C8 C12 F6 -118.8(14) . . . . ?
C7 C8 C12 F6 61.9(15) . . . . ?
C9 C8 C12 F5 5.3(19) . . . . ?
C7 C8 C12 F5 -174.0(11) . . . . ?
C9 C8 C12 F4 121.6(13) . . . . ?
C7 C8 C12 F4 -57.7(16) . . . . ?
C17 C13 C14 C15 -0.7(13) . . . . ?
C18 C13 C14 C15 -176.8(11) . . . . ?
Co1 C13 C14 C15 60.0(8) . . . . ?
C17 C13 C14 C19 175.1(11) . . . . ?
C18 C13 C14 C19 -1(2) . . . . ?
Co1 C13 C14 C19 -124.3(12) . . . . ?
C17 C13 C14 Co1 -60.6(8) . . . . ?
C18 C13 C14 Co1 123.2(12) . . . . ?
C13 C14 C15 C16 -0.4(13) . . . . ?
C19 C14 C15 C16 -176.3(11) . . . . ?
Co1 C14 C15 C16 59.4(8) . . . . ?
C13 C14 C15 C20 177.0(11) . . . . ?
C19 C14 C15 C20 1(2) . . . . ?
Co1 C14 C15 C20 -123.2(12) . . . . ?
C13 C14 C15 Co1 -59.8(8) . . . . ?
C19 C14 C15 Co1 124.3(12) . . . . ?
C14 C15 C16 C17 1.4(13) . . . . ?
C20 C15 C16 C17 -176.1(11) . . . . ?
Co1 C15 C16 C17 60.3(8) . . . . ?
C14 C15 C16 C21 176.9(12) . . . . ?
C20 C15 C16 C21 -0.6(19) . . . . ?
Co1 C15 C16 C21 -124.2(12) . . . . ?
C14 C15 C16 Co1 -58.9(8) . . . . ?
C20 C15 C16 Co1 123.5(12) . . . . ?
C15 C16 C17 C13 -1.8(13) . . . . ?
C21 C16 C17 C13 -177.5(11) . . . . ?
Co1 C16 C17 C13 58.1(8) . . . . ?
C15 C16 C17 C22 179.7(11) . . . . ?
C21 C16 C17 C22 4.1(19) . . . . ?
Co1 C16 C17 C22 -120.4(11) . . . . ?
C15 C16 C17 Co1 -59.9(8) . . . . ?
C21 C16 C17 Co1 124.5(12) . . . . ?
C14 C13 C17 C16 1.6(13) . . . . ?
C18 C13 C17 C16 177.7(12) . . . . ?
Co1 C13 C17 C16 -58.6(8) . . . . ?
C14 C13 C17 C22 -179.9(10) . . . . ?
C18 C13 C17 C22 -3.8(19) . . . . ?
Co1 C13 C17 C22 120.0(11) . . . . ?
C14 C13 C17 Co1 60.1(8) . . . . ?
C18 C13 C17 Co1 -123.7(13) . . . . ?

_refine_diff_density_max         1.501
_refine_diff_density_min         -0.899
_refine_diff_density_rms         0.140





