# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_ic19203
_database_code_depnum_ccdc_archive 'CCDC 1967312'
loop_
_audit_author_name
_audit_author_address
'Cheng-Chang Chiu'
;National Taiwan University
Taiwan
;
_audit_update_record             
;
2019-11-21 deposited with the CCDC.	2020-04-22 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            'C86 H64 Cl8 F6 N30 Ni5 P Ru2 S2'
_chemical_formula_weight         2506.05

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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Ni Ni 0.3393 1.1124 '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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   38.6072(15)
_cell_length_b                   14.9578(6)
_cell_length_c                   17.7771(8)
_cell_angle_alpha                90
_cell_angle_beta                 115.2998(12)
_cell_angle_gamma                90
_cell_volume                     9281.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9656
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            dark-green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_F_000             5020
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.251
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.144
_exptl_absorpt_coefficient_mu    1.679
_shelx_estimated_absorpt_T_min   0.678
_shelx_estimated_absorpt_T_max   0.794
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6693
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\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            35906
_diffrn_reflns_av_unetI/netI     0.0204
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.218
_diffrn_reflns_theta_max         27.493
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10652
_reflns_number_gt                7889
_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 APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0461P)²+69.7135P] 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         10652
_refine_ls_number_parameters     632
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0422
_refine_ls_wR_factor_ref         0.1305
_refine_ls_wR_factor_gt          0.1032
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.095
_refine_ls_shift/su_max          0.003
_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 0.5000 0.73749(3) 0.7500 0.01633(10) Uani 1 2 d S T P . .
M1 Ru 0.55552(2) 0.73669(2) 0.86582(2) 0.01460(9) Uani 0.5 1 d . . P A 1
M1' Ni 0.55552(2) 0.73669(2) 0.86582(2) 0.01460(9) Uani 0.5 1 d . . P A 2
Ni1 Ni 0.67110(2) 0.73836(3) 1.10642(3) 0.01890(11) Uani 1 1 d . . . . .
Ni2 Ni 0.61223(2) 0.73603(3) 0.98458(2) 0.01408(10) Uani 1 1 d . . . . .
S1 S 0.79974(3) 0.75339(9) 1.30775(7) 0.0414(3) Uani 1 1 d . . . . .
N1 N 0.67146(8) 0.6026(2) 1.07685(18) 0.0213(6) Uani 1 1 d . . . . .
N2 N 0.60673(8) 0.6099(2) 0.98761(17) 0.0208(6) Uani 1 1 d . . . . .
N3 N 0.54198(8) 0.6191(2) 0.89756(17) 0.0206(6) Uani 1 1 d . . . . .
N4 N 0.47930(8) 0.6416(2) 0.80008(18) 0.0248(6) Uani 1 1 d . . . . .
N5 N 0.41906(8) 0.6744(2) 0.69599(17) 0.0213(6) Uani 1 1 d . . . . .
N6 N 0.36258(8) 0.7196(2) 0.58576(18) 0.0221(6) Uani 1 1 d . . . . .
N7 N 0.30783(8) 0.7776(2) 0.48017(18) 0.0222(6) Uani 1 1 d . . . . .
N8 N 0.65560(8) 0.8711(2) 1.11136(18) 0.0248(6) Uani 1 1 d . . . . .
N9 N 0.61354(8) 0.8620(2) 0.97213(18) 0.0222(6) Uani 1 1 d . . . . .
N10 N 0.56896(8) 0.8537(2) 0.83329(18) 0.0217(6) Uani 1 1 d . . . . .
N11 N 0.52074(8) 0.8330(2) 0.69988(17) 0.0231(6) Uani 1 1 d . . . . .
N12 N 0.47017(8) 0.7990(2) 0.57283(17) 0.0198(6) Uani 1 1 d . . . . .
N13 N 0.41732(8) 0.7521(2) 0.45389(18) 0.0211(6) Uani 1 1 d . . . . .
N14 N 0.36444(8) 0.7031(2) 0.33714(18) 0.0241(6) Uani 1 1 d . . . . .
N15 N 0.72256(8) 0.74105(19) 1.20947(19) 0.0205(6) Uani 1 1 d . . . . .
C1 C 0.70467(10) 0.5571(3) 1.1128(2) 0.0276(8) Uani 1 1 d . . . . .
H1 H 0.7262 0.5869 1.1536 0.033 Uiso 1 1 calc R U . . .
C2 C 0.70909(11) 0.4703(3) 1.0938(3) 0.0353(9) Uani 1 1 d . . . . .
H2 H 0.7327 0.4398 1.1225 0.042 Uiso 1 1 calc R U . . .
C3 C 0.67799(11) 0.4283(3) 1.0314(3) 0.0345(9) Uani 1 1 d . . . . .
H3 H 0.6804 0.3692 1.0145 0.041 Uiso 1 1 calc R U . . .
C4 C 0.64357(11) 0.4731(3) 0.9943(2) 0.0270(8) Uani 1 1 d . . . . .
H4 H 0.6221 0.4451 0.9514 0.032 Uiso 1 1 calc R U . . .
C5 C 0.64026(10) 0.5605(2) 1.0200(2) 0.0207(7) Uani 1 1 d . . . . .
C6 C 0.57118(10) 0.5703(2) 0.9553(2) 0.0213(7) Uani 1 1 d . . . . .
C7 C 0.56341(10) 0.4863(3) 0.9790(2) 0.0250(7) Uani 1 1 d . . . . .
H7 H 0.5831 0.4535 1.0217 0.030 Uiso 1 1 calc R U . . .
C8 C 0.52679(11) 0.4514(3) 0.9397(2) 0.0304(8) Uani 1 1 d . . . . .
H8 H 0.5216 0.3935 0.9543 0.036 Uiso 1 1 calc R U . . .
C9 C 0.49760(11) 0.5000(3) 0.8793(2) 0.0306(8) Uani 1 1 d . . . . .
H9 H 0.4727 0.4750 0.8512 0.037 Uiso 1 1 calc R U . . .
C10 C 0.50517(10) 0.5861(3) 0.8603(2) 0.0233(7) Uani 1 1 d . . . . .
C11 C 0.43984(10) 0.6346(2) 0.7715(2) 0.0235(7) Uani 1 1 d . . . . .
C12 C 0.42081(11) 0.5970(3) 0.8150(2) 0.0306(8) Uani 1 1 d . . . . .
H12 H 0.4348 0.5714 0.8684 0.037 Uiso 1 1 calc R U . . .
C13 C 0.38102(11) 0.5974(3) 0.7790(3) 0.0329(9) Uani 1 1 d . . . . .
H13 H 0.3679 0.5712 0.8081 0.039 Uiso 1 1 calc R U . . .
C14 C 0.36040(10) 0.6349(3) 0.7022(2) 0.0284(8) Uani 1 1 d . . . . .
H14 H 0.3332 0.6322 0.6771 0.034 Uiso 1 1 calc R U . . .
C15 C 0.37996(10) 0.6772(3) 0.6613(2) 0.0231(7) Uani 1 1 d . . . . .
C16 C 0.32830(10) 0.7650(2) 0.5631(2) 0.0218(7) Uani 1 1 d . . . . .
C17 C 0.31664(10) 0.8033(3) 0.6205(2) 0.0268(8) Uani 1 1 d . . . . .
H17 H 0.3312 0.7940 0.6785 0.032 Uiso 1 1 calc R U . . .
C18 C 0.28390(11) 0.8544(3) 0.5919(3) 0.0313(8) Uani 1 1 d . . . . .
H18 H 0.2758 0.8812 0.6302 0.038 Uiso 1 1 calc R U . . .
C19 C 0.26262(11) 0.8667(3) 0.5069(2) 0.0312(8) Uani 1 1 d . . . . .
H19 H 0.2397 0.9011 0.4862 0.037 Uiso 1 1 calc R U . . .
C20 C 0.27551(10) 0.8280(3) 0.4539(2) 0.0265(8) Uani 1 1 d . . . . .
H20 H 0.2611 0.8368 0.3958 0.032 Uiso 1 1 calc R U . . .
C21 C 0.66999(11) 0.9140(3) 1.1856(2) 0.0315(8) Uani 1 1 d . . . . .
H21 H 0.6883 0.8837 1.2328 0.038 Uiso 1 1 calc R U . . .
C22 C 0.65956(12) 0.9982(3) 1.1961(3) 0.0364(10) Uani 1 1 d . . . . .
H22 H 0.6707 1.0264 1.2490 0.044 Uiso 1 1 calc R U . . .
C23 C 0.63228(12) 1.0418(3) 1.1276(3) 0.0357(9) Uani 1 1 d . . . . .
H23 H 0.6243 1.1007 1.1329 0.043 Uiso 1 1 calc R U . . .
C24 C 0.61678(11) 0.9991(3) 1.0516(2) 0.0280(8) Uani 1 1 d . . . . .
H24 H 0.5978 1.0283 1.0046 0.034 Uiso 1 1 calc R U . . .
C25 C 0.62894(10) 0.9127(2) 1.0437(2) 0.0229(7) Uani 1 1 d . . . . .
C26 C 0.59758(10) 0.9010(2) 0.8941(2) 0.0217(7) Uani 1 1 d . . . . .
C27 C 0.60992(11) 0.9819(3) 0.8745(2) 0.0275(8) Uani 1 1 d . . . . .
H27 H 0.6316 1.0120 0.9147 0.033 Uiso 1 1 calc R U . . .
C28 C 0.59024(11) 1.0171(3) 0.7960(2) 0.0299(8) Uani 1 1 d . . . . .
H28 H 0.5976 1.0735 0.7832 0.036 Uiso 1 1 calc R U . . .
C29 C 0.55969(11) 0.9714(3) 0.7353(2) 0.0276(8) Uani 1 1 d . . . . .
H29 H 0.5456 0.9974 0.6820 0.033 Uiso 1 1 calc R U . . .
C30 C 0.55006(10) 0.8869(2) 0.7538(2) 0.0212(7) Uani 1 1 d . . . . .
C31 C 0.50494(10) 0.8403(2) 0.6139(2) 0.0222(7) Uani 1 1 d . . . . .
C32 C 0.52264(11) 0.8797(3) 0.5684(2) 0.0279(8) Uani 1 1 d . . . . .
H32 H 0.5475 0.9050 0.5959 0.033 Uiso 1 1 calc R U . . .
C33 C 0.50339(11) 0.8816(3) 0.4827(2) 0.0293(8) Uani 1 1 d . . . . .
H33 H 0.5149 0.9104 0.4514 0.035 Uiso 1 1 calc R U . . .
C34 C 0.46783(11) 0.8424(3) 0.4416(2) 0.0275(8) Uani 1 1 d . . . . .
H34 H 0.4545 0.8461 0.3827 0.033 Uiso 1 1 calc R U . . .
C35 C 0.45173(10) 0.7972(2) 0.4875(2) 0.0205(7) Uani 1 1 d . . . . .
C36 C 0.40303(10) 0.7141(2) 0.3753(2) 0.0221(7) Uani 1 1 d . . . . .
C37 C 0.42609(11) 0.6828(3) 0.3371(2) 0.0267(8) Uani 1 1 d . . . . .
H37 H 0.4531 0.6898 0.3640 0.032 Uiso 1 1 calc R U . . .
C38 C 0.40904(12) 0.6418(3) 0.2604(2) 0.0306(8) Uani 1 1 d . . . . .
H38 H 0.4243 0.6208 0.2340 0.037 Uiso 1 1 calc R U . . .
C39 C 0.36944(12) 0.6314(3) 0.2217(2) 0.0321(9) Uani 1 1 d . . . . .
H39 H 0.3572 0.6040 0.1686 0.039 Uiso 1 1 calc R U . . .
C40 C 0.34863(11) 0.6618(3) 0.2624(2) 0.0293(8) Uani 1 1 d . . . . .
H40 H 0.3216 0.6535 0.2367 0.035 Uiso 1 1 calc R U . . .
C41 C 0.75400(11) 0.7466(3) 1.2485(2) 0.0275(8) Uani 1 1 d . . . . .
C42 C 0.9043(2) 0.7288(4) 1.5592(4) 0.080(2) Uani 1 1 d . . . . .
H42A H 0.9159 0.7776 1.6000 0.097 Uiso 1 1 calc R U . . .
H42B H 0.9208 0.6753 1.5800 0.097 Uiso 1 1 calc R U . . .
Cl1 Cl 0.90316(5) 0.76058(10) 1.46373(12) 0.0737(5) Uani 1 1 d . . . . .
Cl2 Cl 0.85817(6) 0.70442(11) 1.55230(10) 0.0792(5) Uani 1 1 d . . . . .
C43 C 0.7762(2) 0.5675(5) 0.4110(5) 0.0757(19) Uani 1 1 d . . . . .
H43A H 0.7939 0.5223 0.4486 0.091 Uiso 1 1 calc R U . . .
H43B H 0.7910 0.6070 0.3908 0.091 Uiso 1 1 calc R U . . .
Cl3 Cl 0.73917(5) 0.51356(14) 0.32560(12) 0.0902(6) Uani 1 1 d . . . . .
Cl4 Cl 0.75635(11) 0.6298(2) 0.4647(2) 0.1598(14) Uani 1 1 d . . . . .
P1 P 0.5000 0.80434(12) 0.2500 0.0382(4) Uani 1 2 d S T P . .
F1 F 0.51267(8) 0.8801(2) 0.32004(16) 0.0493(7) Uani 1 1 d . . . . .
F2 F 0.45771(8) 0.8051(2) 0.24544(18) 0.0526(7) Uani 1 1 d . . . . .
F3 F 0.48790(10) 0.7294(2) 0.1795(2) 0.0688(10) 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 N11 2.022(3) 2_656 ?
Ru1 N11 2.022(3) . ?
Ru1 N4 2.024(3) 2_656 ?
Ru1 N4 2.024(3) . ?
Ru1 M1' 2.2498(3) 2_656 ?
Ru1 M1 2.2498(3) 2_656 ?
Ru1 M1 2.2499(3) . ?
Ru1 M1' 2.2499(3) . ?
M1 N10 1.981(3) . ?
M1 N3 1.984(3) . ?
M1 N5 1.990(3) 2_656 ?
M1 N12 1.992(3) 2_656 ?
M1 Ni2 2.3022(5) . ?
M1' N10 1.981(3) . ?
M1' N3 1.984(3) . ?
M1' N5 1.990(3) 2_656 ?
M1' N12 1.992(3) 2_656 ?
M1' Ni2 2.3022(5) . ?
Ni1 N15 2.048(3) . ?
Ni1 N14 2.084(3) 2_656 ?
Ni1 N8 2.086(3) . ?
Ni1 N1 2.099(3) . ?
Ni1 N7 2.109(3) 2_656 ?
Ni1 Ni2 2.3771(6) . ?
Ni2 N6 1.900(3) 2_656 ?
Ni2 N9 1.901(3) . ?
Ni2 N2 1.902(3) . ?
Ni2 N13 1.903(3) 2_656 ?
S1 C41 1.627(4) . ?
N1 C1 1.347(5) . ?
N1 C5 1.352(4) . ?
N2 C6 1.375(4) . ?
N2 C5 1.384(4) . ?
N3 C6 1.366(4) . ?
N3 C10 1.377(4) . ?
N4 C10 1.385(4) . ?
N4 C11 1.388(4) . ?
N5 C15 1.366(4) . ?
N5 C11 1.370(4) . ?
N5 M1' 1.990(3) 2_656 ?
N5 M1 1.990(3) 2_656 ?
N6 C15 1.373(4) . ?
N6 C16 1.385(4) . ?
N6 Ni2 1.900(3) 2_656 ?
N7 C16 1.355(5) . ?
N7 C20 1.358(5) . ?
N7 Ni1 2.109(3) 2_656 ?
N8 C21 1.355(5) . ?
N8 C25 1.355(5) . ?
N9 C25 1.378(4) . ?
N9 C26 1.383(4) . ?
N10 C26 1.367(4) . ?
N10 C30 1.376(4) . ?
N11 C31 1.386(4) . ?
N11 C30 1.387(4) . ?
N12 C31 1.371(4) . ?
N12 C35 1.373(4) . ?
N12 M1' 1.992(3) 2_656 ?
N12 M1 1.992(3) 2_656 ?
N13 C35 1.378(4) . ?
N13 C36 1.386(4) . ?
N13 Ni2 1.903(3) 2_656 ?
N14 C40 1.351(5) . ?
N14 C36 1.358(4) . ?
N14 Ni1 2.084(3) 2_656 ?
N15 C41 1.114(5) . ?
C1 C2 1.370(6) . ?
C2 C3 1.389(6) . ?
C3 C4 1.380(5) . ?
C4 C5 1.409(5) . ?
C6 C7 1.399(5) . ?
C7 C8 1.383(5) . ?
C8 C9 1.385(5) . ?
C9 C10 1.393(5) . ?
C11 C12 1.393(5) . ?
C12 C13 1.389(5) . ?
C13 C14 1.372(5) . ?
C14 C15 1.404(5) . ?
C16 C17 1.402(5) . ?
C17 C18 1.375(5) . ?
C18 C19 1.390(6) . ?
C19 C20 1.368(5) . ?
C21 C22 1.359(6) . ?
C22 C23 1.387(6) . ?
C23 C24 1.377(5) . ?
C24 C25 1.403(5) . ?
C26 C27 1.397(5) . ?
C27 C28 1.376(5) . ?
C28 C29 1.391(5) . ?
C29 C30 1.396(5) . ?
C31 C32 1.394(5) . ?
C32 C33 1.380(5) . ?
C33 C34 1.380(5) . ?
C34 C35 1.394(5) . ?
C36 C37 1.410(5) . ?
C37 C38 1.378(5) . ?
C38 C39 1.391(6) . ?
C39 C40 1.368(6) . ?
C42 Cl1 1.745(8) . ?
C42 Cl2 1.771(8) . ?
C43 Cl4 1.729(7) . ?
C43 Cl3 1.773(8) . ?
P1 F3 1.596(3) 2_655 ?
P1 F3 1.596(3) . ?
P1 F1 1.598(3) . ?
P1 F1 1.598(3) 2_655 ?
P1 F2 1.600(3) . ?
P1 F2 1.600(3) 2_655 ?

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
N11 Ru1 N11 90.02(18) 2_656 . ?
N11 Ru1 N4 179.85(14) 2_656 2_656 ?
N11 Ru1 N4 90.12(13) . 2_656 ?
N11 Ru1 N4 90.12(13) 2_656 . ?
N11 Ru1 N4 179.85(14) . . ?
N4 Ru1 N4 89.73(19) 2_656 . ?
N11 Ru1 M1' 90.30(8) 2_656 2_656 ?
N11 Ru1 M1' 90.13(8) . 2_656 ?
N4 Ru1 M1' 89.69(8) 2_656 2_656 ?
N4 Ru1 M1' 89.88(8) . 2_656 ?
N11 Ru1 M1 90.30(8) 2_656 2_656 ?
N11 Ru1 M1 90.13(8) . 2_656 ?
N4 Ru1 M1 89.69(8) 2_656 2_656 ?
N4 Ru1 M1 89.88(8) . 2_656 ?
N11 Ru1 M1 90.13(8) 2_656 . ?
N11 Ru1 M1 90.30(8) . . ?
N4 Ru1 M1 89.88(8) 2_656 . ?
N4 Ru1 M1 89.69(8) . . ?
M1 Ru1 M1 179.39(2) 2_656 . ?
N11 Ru1 M1' 90.13(8) 2_656 . ?
N11 Ru1 M1' 90.30(8) . . ?
N4 Ru1 M1' 89.88(8) 2_656 . ?
N4 Ru1 M1' 89.69(8) . . ?
M1' Ru1 M1' 179.39(2) 2_656 . ?
N10 M1 N3 179.56(12) . . ?
N10 M1 N5 90.01(12) . 2_656 ?
N3 M1 N5 89.64(12) . 2_656 ?
N10 M1 N12 90.00(12) . 2_656 ?
N3 M1 N12 90.35(12) . 2_656 ?
N5 M1 N12 179.71(12) 2_656 2_656 ?
N10 M1 Ru1 89.66(8) . . ?
N3 M1 Ru1 90.07(8) . . ?
N5 M1 Ru1 89.94(8) 2_656 . ?
N12 M1 Ru1 89.77(8) 2_656 . ?
N10 M1 Ni2 90.37(8) . . ?
N3 M1 Ni2 89.90(8) . . ?
N5 M1 Ni2 90.24(8) 2_656 . ?
N12 M1 Ni2 90.05(8) 2_656 . ?
Ru1 M1 Ni2 179.82(2) . . ?
N10 M1' N3 179.56(12) . . ?
N10 M1' N5 90.01(12) . 2_656 ?
N3 M1' N5 89.64(12) . 2_656 ?
N10 M1' N12 90.00(12) . 2_656 ?
N3 M1' N12 90.35(12) . 2_656 ?
N5 M1' N12 179.71(12) 2_656 2_656 ?
N10 M1' Ru1 89.66(8) . . ?
N3 M1' Ru1 90.07(8) . . ?
N5 M1' Ru1 89.94(8) 2_656 . ?
N12 M1' Ru1 89.77(8) 2_656 . ?
N10 M1' Ni2 90.37(8) . . ?
N3 M1' Ni2 89.90(8) . . ?
N5 M1' Ni2 90.24(8) 2_656 . ?
N12 M1' Ni2 90.05(8) 2_656 . ?
Ru1 M1' Ni2 179.82(2) . . ?
N15 Ni1 N14 99.26(11) . 2_656 ?
N15 Ni1 N8 97.45(11) . . ?
N14 Ni1 N8 87.77(13) 2_656 . ?
N15 Ni1 N1 97.78(11) . . ?
N14 Ni1 N1 87.24(12) 2_656 . ?
N8 Ni1 N1 164.55(11) . . ?
N15 Ni1 N7 96.79(11) . 2_656 ?
N14 Ni1 N7 163.86(11) 2_656 2_656 ?
N8 Ni1 N7 88.45(12) . 2_656 ?
N1 Ni1 N7 92.32(12) . 2_656 ?
N15 Ni1 Ni2 178.49(9) . . ?
N14 Ni1 Ni2 82.25(8) 2_656 . ?
N8 Ni1 Ni2 82.67(8) . . ?
N1 Ni1 Ni2 82.17(8) . . ?
N7 Ni1 Ni2 81.71(8) 2_656 . ?
N6 Ni2 N9 90.29(13) 2_656 . ?
N6 Ni2 N2 89.14(13) 2_656 . ?
N9 Ni2 N2 174.69(12) . . ?
N6 Ni2 N13 174.75(12) 2_656 2_656 ?
N9 Ni2 N13 89.67(13) . 2_656 ?
N2 Ni2 N13 90.41(13) . 2_656 ?
N6 Ni2 M1 87.17(9) 2_656 . ?
N9 Ni2 M1 87.20(9) . . ?
N2 Ni2 M1 87.50(8) . . ?
N13 Ni2 M1 87.58(9) 2_656 . ?
N6 Ni2 M1' 87.17(9) 2_656 . ?
N9 Ni2 M1' 87.20(9) . . ?
N2 Ni2 M1' 87.50(8) . . ?
N13 Ni2 M1' 87.58(9) 2_656 . ?
N6 Ni2 Ni1 92.44(9) 2_656 . ?
N9 Ni2 Ni1 91.66(9) . . ?
N2 Ni2 Ni1 93.64(8) . . ?
N13 Ni2 Ni1 92.81(9) 2_656 . ?
M1 Ni2 Ni1 178.79(2) . . ?
M1' Ni2 Ni1 178.79(2) . . ?
C1 N1 C5 118.9(3) . . ?
C1 N1 Ni1 118.5(2) . . ?
C5 N1 Ni1 122.5(2) . . ?
C6 N2 C5 122.3(3) . . ?
C6 N2 Ni2 121.2(2) . . ?
C5 N2 Ni2 116.4(2) . . ?
C6 N3 C10 121.4(3) . . ?
C6 N3 M1' 117.0(2) . . ?
C10 N3 M1' 121.6(2) . . ?
C6 N3 M1 117.0(2) . . ?
C10 N3 M1 121.6(2) . . ?
C10 N4 C11 123.7(3) . . ?
C10 N4 Ru1 118.3(2) . . ?
C11 N4 Ru1 118.0(2) . . ?
C15 N5 C11 121.8(3) . . ?
C15 N5 M1' 116.5(2) . 2_656 ?
C11 N5 M1' 121.5(2) . 2_656 ?
C15 N5 M1 116.5(2) . 2_656 ?
C11 N5 M1 121.5(2) . 2_656 ?
C15 N6 C16 121.2(3) . . ?
C15 N6 Ni2 122.0(2) . 2_656 ?
C16 N6 Ni2 116.1(2) . 2_656 ?
C16 N7 C20 118.3(3) . . ?
C16 N7 Ni1 121.8(2) . 2_656 ?
C20 N7 Ni1 119.2(2) . 2_656 ?
C21 N8 C25 119.2(3) . . ?
C21 N8 Ni1 119.1(3) . . ?
C25 N8 Ni1 121.5(2) . . ?
C25 N9 C26 121.7(3) . . ?
C25 N9 Ni2 117.4(2) . . ?
C26 N9 Ni2 120.8(2) . . ?
C26 N10 C30 121.3(3) . . ?
C26 N10 M1' 116.8(2) . . ?
C30 N10 M1' 121.9(2) . . ?
C26 N10 M1 116.8(2) . . ?
C30 N10 M1 121.9(2) . . ?
C31 N11 C30 124.1(3) . . ?
C31 N11 Ru1 118.1(2) . . ?
C30 N11 Ru1 117.8(2) . . ?
C31 N12 C35 121.7(3) . . ?
C31 N12 M1' 121.5(2) . 2_656 ?
C35 N12 M1' 116.8(2) . 2_656 ?
C31 N12 M1 121.5(2) . 2_656 ?
C35 N12 M1 116.8(2) . 2_656 ?
C35 N13 C36 122.2(3) . . ?
C35 N13 Ni2 121.0(2) . 2_656 ?
C36 N13 Ni2 116.7(2) . 2_656 ?
C40 N14 C36 119.0(3) . . ?
C40 N14 Ni1 118.4(2) . 2_656 ?
C36 N14 Ni1 122.5(2) . 2_656 ?
C41 N15 Ni1 160.2(3) . . ?
N1 C1 C2 123.7(4) . . ?
C1 C2 C3 118.0(4) . . ?
C4 C3 C2 119.3(4) . . ?
C3 C4 C5 119.9(3) . . ?
N1 C5 N2 116.0(3) . . ?
N1 C5 C4 119.9(3) . . ?
N2 C5 C4 124.0(3) . . ?
N3 C6 N2 116.1(3) . . ?
N3 C6 C7 119.4(3) . . ?
N2 C6 C7 124.4(3) . . ?
C8 C7 C6 119.4(3) . . ?
C7 C8 C9 120.7(4) . . ?
C8 C9 C10 119.2(3) . . ?
N3 C10 N4 114.3(3) . . ?
N3 C10 C9 119.6(3) . . ?
N4 C10 C9 125.7(3) . . ?
N5 C11 N4 114.7(3) . . ?
N5 C11 C12 119.5(3) . . ?
N4 C11 C12 125.7(3) . . ?
C13 C12 C11 119.0(3) . . ?
C14 C13 C12 121.1(4) . . ?
C13 C14 C15 119.2(3) . . ?
N5 C15 N6 116.1(3) . . ?
N5 C15 C14 119.2(3) . . ?
N6 C15 C14 124.7(3) . . ?
N7 C16 N6 115.2(3) . . ?
N7 C16 C17 121.0(3) . . ?
N6 C16 C17 123.5(3) . . ?
C18 C17 C16 119.3(3) . . ?
C17 C18 C19 119.9(4) . . ?
C20 C19 C18 118.2(4) . . ?
N7 C20 C19 123.3(3) . . ?
N8 C21 C22 123.4(4) . . ?
C21 C22 C23 118.3(4) . . ?
C24 C23 C22 119.4(4) . . ?
C23 C24 C25 120.2(4) . . ?
N8 C25 N9 115.6(3) . . ?
N8 C25 C24 119.5(3) . . ?
N9 C25 C24 124.7(3) . . ?
N10 C26 N9 116.0(3) . . ?
N10 C26 C27 119.8(3) . . ?
N9 C26 C27 124.2(3) . . ?
C28 C27 C26 119.0(3) . . ?
C27 C28 C29 121.1(4) . . ?
C28 C29 C30 118.9(3) . . ?
N10 C30 N11 114.7(3) . . ?
N10 C30 C29 119.4(3) . . ?
N11 C30 C29 125.8(3) . . ?
N12 C31 N11 114.9(3) . . ?
N12 C31 C32 119.5(3) . . ?
N11 C31 C32 125.4(3) . . ?
C33 C32 C31 118.9(3) . . ?
C34 C33 C32 121.4(4) . . ?
C33 C34 C35 119.2(3) . . ?
N12 C35 N13 116.0(3) . . ?
N12 C35 C34 119.1(3) . . ?
N13 C35 C34 124.9(3) . . ?
N14 C36 N13 115.6(3) . . ?
N14 C36 C37 120.2(3) . . ?
N13 C36 C37 124.1(3) . . ?
C38 C37 C36 119.4(4) . . ?
C37 C38 C39 119.9(4) . . ?
C40 C39 C38 118.1(4) . . ?
N14 C40 C39 123.4(4) . . ?
N15 C41 S1 178.3(4) . . ?
Cl1 C42 Cl2 112.4(3) . . ?
Cl4 C43 Cl3 109.4(4) . . ?
F3 P1 F3 90.7(3) 2_655 . ?
F3 P1 F1 89.82(18) 2_655 . ?
F3 P1 F1 178.95(19) . . ?
F3 P1 F1 178.95(19) 2_655 2_655 ?
F3 P1 F1 89.82(18) . 2_655 ?
F1 P1 F1 89.7(2) . 2_655 ?
F3 P1 F2 89.70(18) 2_655 . ?
F3 P1 F2 90.90(18) . . ?
F1 P1 F2 90.01(16) . . ?
F1 P1 F2 89.38(15) 2_655 . ?
F3 P1 F2 90.90(18) 2_655 2_655 ?
F3 P1 F2 89.70(18) . 2_655 ?
F1 P1 F2 89.38(15) . 2_655 ?
F1 P1 F2 90.01(16) 2_655 2_655 ?
F2 P1 F2 179.1(3) . 2_655 ?

_refine_diff_density_max         0.869
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.107

