# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_bor538
_database_code_depnum_ccdc_archive 'CCDC 2172454'
loop_
_audit_author_name
_audit_author_address
'Natalya Kuratieva'
;Nikolaev Institute of Inorganic Chemistry
Russia
;
_audit_update_record             
;
2022-09-12 deposited with the CCDC.	2022-09-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C4 H17 N9 Ni O10 Ru'
_chemical_formula_sum            'C4 H17 N9 Ni O10 Ru'
_chemical_melting_point          ?

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_diffrn_ambient_temperature      293(2)
_chemical_formula_weight         511.04

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'
Ni Ni 0.3393 1.1124 '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'
Ru Ru -1.2594 0.8363 '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                   6.63260(10)
_cell_length_b                   14.9677(3)
_cell_length_c                   17.3854(3)
_cell_angle_alpha                77.0890(10)
_cell_angle_beta                 83.0430(10)
_cell_angle_gamma                88.8190(10)
_cell_volume                     1669.87(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6108
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      27.48
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.033
_exptl_crystal_F_000             1024
_exptl_transmission_factor_min   0.680
_exptl_transmission_factor_max   0.746
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    2.100
_shelx_estimated_absorpt_T_min   0.730
_shelx_estimated_absorpt_T_max   0.867


_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?


_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       'φ scans'
_diffrn_detector_area_resol_mean 25
_diffrn_reflns_number            14975
_diffrn_reflns_av_unetI/netI     0.0478
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.421
_diffrn_reflns_theta_max         27.613
_diffrn_reflns_theta_full        25.250
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7684
_reflns_number_gt                6232
_reflns_threshold_expression     >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    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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)+(0.0263P)²+0.3832P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7684
_refine_ls_number_parameters     478
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0341
_refine_ls_wR_factor_ref         0.0735
_refine_ls_wR_factor_gt          0.0693
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.032
_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 0.38526(4) 0.24902(2) 0.10140(2) 0.02677(7) Uani 1 1 d . . . . .
Ru2 Ru 0.48179(4) 0.30477(2) 0.59076(2) 0.02606(7) Uani 1 1 d . . . . .
Ni1 Ni 0.16079(6) 0.41029(3) 0.20836(2) 0.02769(10) Uani 1 1 d . . . . .
Ni2 Ni 0.25553(6) 0.10766(3) 0.72108(2) 0.02819(10) Uani 1 1 d . . . . .
O1 O 0.1515(3) 0.29849(16) 0.15695(13) 0.0311(5) Uani 1 1 d D . . . .
O2 O 0.2567(3) 0.21719(15) 0.62607(13) 0.0305(5) Uani 1 1 d D . . . .
O11 O 0.7028(4) 0.1739(2) 0.00678(17) 0.0716(10) Uani 1 1 d . . . . .
O21 O 0.8170(4) 0.43312(19) 0.53872(19) 0.0612(8) Uani 1 1 d . . . . .
O121 O 0.4786(3) 0.41246(17) 0.15759(14) 0.0386(6) Uani 1 1 d . . . . .
O122 O 0.7242(4) 0.3751(2) 0.08153(17) 0.0597(8) Uani 1 1 d . . . . .
O131 O 0.2609(6) 0.3964(3) -0.0187(2) 0.0857(11) Uani 1 1 d . . . . .
O132 O 0.3094(6) 0.2771(2) -0.06390(17) 0.0785(10) Uani 1 1 d . . . . .
O141 O 0.0186(4) 0.1462(2) 0.1074(2) 0.0719(9) Uani 1 1 d . . . . .
O142 O 0.2771(5) 0.0631(2) 0.0989(2) 0.0805(10) Uani 1 1 d . . . . .
O151 O 0.3636(5) 0.1232(3) 0.2540(2) 0.0880(12) Uani 1 1 d . . . . .
O152 O 0.6305(6) 0.1990(3) 0.2323(2) 0.0893(11) Uani 1 1 d . . . . .
O221 O 0.5455(3) 0.15979(17) 0.73274(13) 0.0377(6) Uani 1 1 d . . . . .
O222 O 0.7761(4) 0.26242(18) 0.70350(16) 0.0502(7) Uani 1 1 d . . . . .
O231 O 0.1524(5) 0.4180(3) 0.6401(2) 0.0862(12) Uani 1 1 d . . . . .
O232 O 0.3752(5) 0.4071(3) 0.71430(19) 0.0786(11) Uani 1 1 d . . . . .
O241 O 0.1649(4) 0.3416(2) 0.48968(15) 0.0554(7) Uani 1 1 d . . . . .
O242 O 0.4343(4) 0.41593(19) 0.43502(14) 0.0551(7) Uani 1 1 d . . . . .
O251 O 0.5374(5) 0.1852(2) 0.4795(2) 0.0746(10) Uani 1 1 d . . . . .
O252 O 0.7846(5) 0.1759(2) 0.54687(18) 0.0790(11) Uani 1 1 d . . . . .
N11 N 0.5868(4) 0.2040(2) 0.04728(17) 0.0401(7) Uani 1 1 d . . . . .
N12 N 0.5491(4) 0.3615(2) 0.11312(16) 0.0331(6) Uani 1 1 d . . . . .
N13 N 0.2965(5) 0.3180(2) -0.00594(19) 0.0475(8) Uani 1 1 d . . . . .
N14 N 0.2031(5) 0.1381(2) 0.10187(17) 0.0427(7) Uani 1 1 d . . . . .
N15 N 0.4685(5) 0.1804(2) 0.21350(18) 0.0410(7) Uani 1 1 d . . . . .
N16 N 0.2128(4) 0.3210(2) 0.31450(16) 0.0435(8) Uani 1 1 d . . . . .
H16A H 0.3102 0.2814 0.3056 0.052 Uiso 1 1 calc R U . . .
H16B H 0.2506 0.3520 0.3485 0.052 Uiso 1 1 calc R U . . .
N17 N -0.1406(4) 0.3970(2) 0.26122(17) 0.0428(7) Uani 1 1 d . . . . .
H17A H -0.1927 0.4521 0.2623 0.051 Uiso 1 1 calc R U . . .
H17B H -0.2146 0.3700 0.2334 0.051 Uiso 1 1 calc R U . . .
N18A N 0.2230(4) 0.5300(2) 0.24375(17) 0.0443(8) Uani 0.356(14) 1 d D . P A 1
H18A H 0.1563 0.5300 0.2914 0.053 Uiso 0.356(14) 1 calc R U P A 1
H18B H 0.3554 0.5349 0.2463 0.053 Uiso 0.356(14) 1 calc R U P A 1
N18B N 0.2230(4) 0.5300(2) 0.24375(17) 0.0443(8) Uani 0.644(14) 1 d D . P A 2
H18C H 0.1171 0.5450 0.2749 0.053 Uiso 0.644(14) 1 calc R U P A 2
H18D H 0.3303 0.5221 0.2707 0.053 Uiso 0.644(14) 1 calc R U P A 2
N19A N 0.0977(4) 0.5014(2) 0.10556(16) 0.0396(7) Uani 0.356(14) 1 d D . P A 1
H19A H 0.1377 0.4781 0.0634 0.048 Uiso 0.356(14) 1 calc R U P A 1
H19B H -0.0354 0.5113 0.1074 0.048 Uiso 0.356(14) 1 calc R U P A 1
N19B N 0.0977(4) 0.5014(2) 0.10556(16) 0.0396(7) Uani 0.644(14) 1 d D . P A 2
H19C H 0.1893 0.4962 0.0649 0.048 Uiso 0.644(14) 1 calc R U P A 2
H19D H -0.0248 0.4899 0.0939 0.048 Uiso 0.644(14) 1 calc R U P A 2
N21 N 0.6863(4) 0.38285(19) 0.55982(16) 0.0358(7) Uani 1 1 d . . . . .
N22 N 0.6155(4) 0.23434(19) 0.68960(16) 0.0315(6) Uani 1 1 d . . . . .
N23 N 0.3152(4) 0.38938(18) 0.65718(15) 0.0302(6) Uani 1 1 d . . . . .
N24 N 0.3407(5) 0.3625(2) 0.49235(16) 0.0359(7) Uani 1 1 d . . . . .
N25 N 0.6228(5) 0.2091(2) 0.52937(17) 0.0404(7) Uani 1 1 d . . . . .
N26 N 0.3810(4) 0.02509(19) 0.64406(16) 0.0391(7) Uani 1 1 d . . . . .
H26A H 0.4794 0.0554 0.6092 0.047 Uiso 1 1 calc R U . . .
H26B H 0.4332 -0.0256 0.6716 0.047 Uiso 1 1 calc R U . . .
N27 N -0.0174(4) 0.0549(2) 0.69912(18) 0.0428(7) Uani 1 1 d . . . . .
H27A H -0.0928 0.0314 0.7449 0.051 Uiso 1 1 calc R U . . .
H27B H -0.0875 0.0995 0.6713 0.051 Uiso 1 1 calc R U . . .
N28 N 0.1213(4) 0.1847(2) 0.79988(16) 0.0376(7) Uani 1 1 d . . . . .
H28A H 0.2063 0.2286 0.8031 0.045 Uiso 1 1 calc R U . . .
H28B H 0.0086 0.2110 0.7828 0.045 Uiso 1 1 calc R U . . .
N29 N 0.2913(4) 0.01246(19) 0.82758(15) 0.0383(7) Uani 1 1 d . . . . .
H29A H 0.2057 -0.0344 0.8342 0.046 Uiso 1 1 calc R U . . .
H29B H 0.4174 -0.0091 0.8259 0.046 Uiso 1 1 calc R U . . .
C11 C 0.0203(6) 0.2724(3) 0.3467(2) 0.0566(11) Uani 1 1 d . . . . .
H11A H 0.0265 0.2396 0.4012 0.068 Uiso 1 1 calc R U . . .
H11B H -0.0050 0.2284 0.3156 0.068 Uiso 1 1 calc R U . . .
C12 C -0.1443(6) 0.3409(3) 0.3434(2) 0.0564(11) Uani 1 1 d . . . . .
H12A H -0.1269 0.3803 0.3795 0.068 Uiso 1 1 calc R U . . .
H12B H -0.2746 0.3099 0.3599 0.068 Uiso 1 1 calc R U . . .
C13A C 0.153(2) 0.6084(8) 0.1817(5) 0.049(4) Uani 0.356(14) 1 d D U P A 1
H13A H 0.2192 0.6649 0.1839 0.059 Uiso 0.356(14) 1 calc R U P A 1
H13B H 0.0076 0.6161 0.1922 0.059 Uiso 0.356(14) 1 calc R U P A 1
C13B C 0.2647(16) 0.6029(5) 0.1709(4) 0.061(3) Uani 0.644(14) 1 d D . P A 2
H13C H 0.2611 0.6627 0.1840 0.073 Uiso 0.644(14) 1 calc R U P A 2
H13D H 0.3976 0.5946 0.1434 0.073 Uiso 0.644(14) 1 calc R U P A 2
C14A C 0.206(2) 0.5880(7) 0.0991(7) 0.046(4) Uani 0.356(14) 1 d D . P A 1
H14C H 0.1591 0.6364 0.0582 0.055 Uiso 0.356(14) 1 calc R U P A 1
H14D H 0.3516 0.5809 0.0871 0.055 Uiso 0.356(14) 1 calc R U P A 1
C14B C 0.1049(15) 0.5953(4) 0.1209(6) 0.052(2) Uani 0.644(14) 1 d D . P A 2
H14A H 0.1307 0.6397 0.0707 0.063 Uiso 0.644(14) 1 calc R U P A 2
H14B H -0.0256 0.6093 0.1472 0.063 Uiso 0.644(14) 1 calc R U P A 2
C21 C 0.2174(7) 0.0019(4) 0.6029(3) 0.0746(15) Uani 1 1 d . . . . .
H21A H 0.1982 0.0522 0.5583 0.090 Uiso 1 1 calc R U . . .
H21B H 0.2549 -0.0518 0.5820 0.090 Uiso 1 1 calc R U . . .
C22 C 0.0303(7) -0.0159(3) 0.6547(3) 0.0719(14) Uani 1 1 d . . . . .
H22A H 0.0396 -0.0744 0.6918 0.086 Uiso 1 1 calc R U . . .
H22B H -0.0792 -0.0203 0.6235 0.086 Uiso 1 1 calc R U . . .
C23 C 0.2490(6) 0.0594(3) 0.8940(2) 0.0491(10) Uani 1 1 d . . . . .
H23A H 0.3677 0.0939 0.8983 0.059 Uiso 1 1 calc R U . . .
H23B H 0.2163 0.0147 0.9436 0.059 Uiso 1 1 calc R U . . .
C24 C 0.0730(6) 0.1229(3) 0.8782(2) 0.0476(10) Uani 1 1 d . . . . .
H24A H -0.0490 0.0878 0.8790 0.057 Uiso 1 1 calc R U . . .
H24B H 0.0491 0.1581 0.9189 0.057 Uiso 1 1 calc R U . . .
H1 H 0.048(4) 0.277(3) 0.147(2) 0.054(13) Uiso 1 1 d D . . . .
H2 H 0.168(5) 0.235(3) 0.598(2) 0.065(14) Uiso 1 1 d 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 1.752(3) . ?
Ru1 O1 1.948(2) . ?
Ru1 N13 2.068(3) . ?
Ru1 N14 2.071(3) . ?
Ru1 N12 2.083(3) . ?
Ru1 N15 2.121(3) . ?
Ru2 N21 1.761(3) . ?
Ru2 O2 1.955(2) . ?
Ru2 N24 2.060(3) . ?
Ru2 N22 2.091(3) . ?
Ru2 N23 2.108(2) . ?
Ru2 N25 2.110(3) . ?
Ni1 O1 2.071(2) . ?
Ni1 N19B 2.073(3) . ?
Ni1 N19A 2.073(3) . ?
Ni1 N16 2.084(3) . ?
Ni1 N18B 2.085(3) . ?
Ni1 N18A 2.085(3) . ?
Ni1 N17 2.090(3) . ?
Ni1 O121 2.182(2) . ?
Ni2 O2 2.050(2) . ?
Ni2 N28 2.090(3) . ?
Ni2 N27 2.100(3) . ?
Ni2 N29 2.104(3) . ?
Ni2 N26 2.107(3) . ?
Ni2 O221 2.139(2) . ?
O1 H1 0.812(18) . ?
O2 H2 0.813(18) . ?
O11 N11 1.134(3) . ?
O21 N21 1.131(4) . ?
O121 N12 1.249(3) . ?
O122 N12 1.223(3) . ?
O131 N13 1.169(4) . ?
O132 N13 1.284(4) . ?
O141 N14 1.221(4) . ?
O142 N14 1.226(4) . ?
O151 N15 1.162(4) . ?
O152 N15 1.215(4) . ?
O221 N22 1.259(3) . ?
O222 N22 1.223(3) . ?
O231 N23 1.200(4) . ?
O232 N23 1.197(4) . ?
O241 N24 1.223(4) . ?
O242 N24 1.238(4) . ?
O251 N25 1.210(4) . ?
O252 N25 1.217(4) . ?
N16 C11 1.468(5) . ?
N16 H16A 0.8900 . ?
N16 H16B 0.8900 . ?
N17 C12 1.484(5) . ?
N17 H17A 0.8900 . ?
N17 H17B 0.8900 . ?
N18A C13A 1.513(8) . ?
N18A H18A 0.8900 . ?
N18A H18B 0.8900 . ?
N18B C13B 1.476(6) . ?
N18B H18C 0.8900 . ?
N18B H18D 0.8900 . ?
N19A C14A 1.473(8) . ?
N19A H19A 0.8900 . ?
N19A H19B 0.8900 . ?
N19B C14B 1.491(6) . ?
N19B H19C 0.8900 . ?
N19B H19D 0.8900 . ?
N26 C21 1.458(5) . ?
N26 H26A 0.8900 . ?
N26 H26B 0.8900 . ?
N27 C22 1.453(5) . ?
N27 H27A 0.8900 . ?
N27 H27B 0.8900 . ?
N28 C24 1.468(4) . ?
N28 H28A 0.8900 . ?
N28 H28B 0.8900 . ?
N29 C23 1.477(4) . ?
N29 H29A 0.8900 . ?
N29 H29B 0.8900 . ?
C11 C12 1.480(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13A C14A 1.533(10) . ?
C13A H13A 0.9700 . ?
C13A H13B 0.9700 . ?
C13B C14B 1.471(11) . ?
C13B H13C 0.9700 . ?
C13B H13D 0.9700 . ?
C14A H14C 0.9700 . ?
C14A H14D 0.9700 . ?
C14B H14A 0.9700 . ?
C14B H14B 0.9700 . ?
C21 C22 1.435(6) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.503(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?

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 O1 176.75(12) . . ?
N11 Ru1 N13 87.81(14) . . ?
O1 Ru1 N13 89.59(12) . . ?
N11 Ru1 N14 90.74(13) . . ?
O1 Ru1 N14 87.34(11) . . ?
N13 Ru1 N14 90.77(13) . . ?
N11 Ru1 N12 95.00(12) . . ?
O1 Ru1 N12 87.07(10) . . ?
N13 Ru1 N12 92.58(12) . . ?
N14 Ru1 N12 173.47(10) . . ?
N11 Ru1 N15 94.09(12) . . ?
O1 Ru1 N15 88.52(10) . . ?
N13 Ru1 N15 178.10(12) . . ?
N14 Ru1 N15 89.35(13) . . ?
N12 Ru1 N15 87.12(12) . . ?
N21 Ru2 O2 179.30(12) . . ?
N21 Ru2 N24 91.71(13) . . ?
O2 Ru2 N24 88.98(11) . . ?
N21 Ru2 N22 92.52(12) . . ?
O2 Ru2 N22 86.78(10) . . ?
N24 Ru2 N22 174.65(12) . . ?
N21 Ru2 N23 93.39(11) . . ?
O2 Ru2 N23 86.76(10) . . ?
N24 Ru2 N23 90.73(10) . . ?
N22 Ru2 N23 92.27(10) . . ?
N21 Ru2 N25 92.95(12) . . ?
O2 Ru2 N25 86.90(11) . . ?
N24 Ru2 N25 89.64(11) . . ?
N22 Ru2 N25 86.88(11) . . ?
N23 Ru2 N25 173.63(11) . . ?
O1 Ni1 N19B 92.55(10) . . ?
O1 Ni1 N19A 92.55(10) . . ?
O1 Ni1 N16 88.90(11) . . ?
N19B Ni1 N16 177.39(11) . . ?
N19A Ni1 N16 177.39(11) . . ?
O1 Ni1 N18B 168.34(10) . . ?
N19B Ni1 N18B 83.12(12) . . ?
N16 Ni1 N18B 95.86(12) . . ?
O1 Ni1 N18A 168.34(10) . . ?
N19A Ni1 N18A 83.12(12) . . ?
N16 Ni1 N18A 95.86(12) . . ?
O1 Ni1 N17 95.19(10) . . ?
N19B Ni1 N17 95.11(12) . . ?
N19A Ni1 N17 95.11(12) . . ?
N16 Ni1 N17 82.59(12) . . ?
N18B Ni1 N17 95.97(12) . . ?
N18A Ni1 N17 95.97(12) . . ?
O1 Ni1 O121 81.94(8) . . ?
N19B Ni1 O121 88.67(10) . . ?
N19A Ni1 O121 88.67(10) . . ?
N16 Ni1 O121 93.68(10) . . ?
N18B Ni1 O121 87.13(10) . . ?
N18A Ni1 O121 87.13(10) . . ?
N17 Ni1 O121 175.36(11) . . ?
O2 Ni2 N28 92.06(10) . . ?
O2 Ni2 N27 93.01(11) . . ?
N28 Ni2 N27 95.89(11) . . ?
O2 Ni2 N29 168.40(11) . . ?
N28 Ni2 N29 82.22(11) . . ?
N27 Ni2 N29 97.59(12) . . ?
O2 Ni2 N26 89.77(10) . . ?
N28 Ni2 N26 177.34(12) . . ?
N27 Ni2 N26 82.08(11) . . ?
N29 Ni2 N26 96.32(11) . . ?
O2 Ni2 O221 84.42(9) . . ?
N28 Ni2 O221 88.90(10) . . ?
N27 Ni2 O221 174.65(10) . . ?
N29 Ni2 O221 85.38(10) . . ?
N26 Ni2 O221 93.20(10) . . ?
Ru1 O1 Ni1 124.81(12) . . ?
Ru1 O1 H1 109(3) . . ?
Ni1 O1 H1 124(3) . . ?
Ru2 O2 Ni2 123.59(11) . . ?
Ru2 O2 H2 107(3) . . ?
Ni2 O2 H2 130(3) . . ?
N12 O121 Ni1 123.6(2) . . ?
N22 O221 Ni2 121.78(19) . . ?
O11 N11 Ru1 172.6(3) . . ?
O122 N12 O121 117.8(3) . . ?
O122 N12 Ru1 120.6(2) . . ?
O121 N12 Ru1 121.3(2) . . ?
O131 N13 O132 118.5(3) . . ?
O131 N13 Ru1 121.8(3) . . ?
O132 N13 Ru1 118.9(3) . . ?
O141 N14 O142 118.9(3) . . ?
O141 N14 Ru1 120.1(2) . . ?
O142 N14 Ru1 121.0(3) . . ?
O151 N15 O152 121.3(4) . . ?
O151 N15 Ru1 119.7(3) . . ?
O152 N15 Ru1 118.9(3) . . ?
C11 N16 Ni1 106.4(2) . . ?
C11 N16 H16A 110.4 . . ?
Ni1 N16 H16A 110.4 . . ?
C11 N16 H16B 110.4 . . ?
Ni1 N16 H16B 110.4 . . ?
H16A N16 H16B 108.6 . . ?
C12 N17 Ni1 108.4(2) . . ?
C12 N17 H17A 110.0 . . ?
Ni1 N17 H17A 110.0 . . ?
C12 N17 H17B 110.0 . . ?
Ni1 N17 H17B 110.0 . . ?
H17A N17 H17B 108.4 . . ?
C13A N18A Ni1 106.2(6) . . ?
C13A N18A H18A 110.5 . . ?
Ni1 N18A H18A 110.5 . . ?
C13A N18A H18B 110.5 . . ?
Ni1 N18A H18B 110.5 . . ?
H18A N18A H18B 108.7 . . ?
C13B N18B Ni1 107.2(3) . . ?
C13B N18B H18C 110.3 . . ?
Ni1 N18B H18C 110.3 . . ?
C13B N18B H18D 110.3 . . ?
Ni1 N18B H18D 110.3 . . ?
H18C N18B H18D 108.5 . . ?
C14A N19A Ni1 108.6(6) . . ?
C14A N19A H19A 110.0 . . ?
Ni1 N19A H19A 110.0 . . ?
C14A N19A H19B 110.0 . . ?
Ni1 N19A H19B 110.0 . . ?
H19A N19A H19B 108.3 . . ?
C14B N19B Ni1 107.0(3) . . ?
C14B N19B H19C 110.3 . . ?
Ni1 N19B H19C 110.3 . . ?
C14B N19B H19D 110.3 . . ?
Ni1 N19B H19D 110.3 . . ?
H19C N19B H19D 108.6 . . ?
O21 N21 Ru2 178.9(3) . . ?
O222 N22 O221 117.7(3) . . ?
O222 N22 Ru2 119.3(2) . . ?
O221 N22 Ru2 122.7(2) . . ?
O232 N23 O231 118.3(3) . . ?
O232 N23 Ru2 121.5(2) . . ?
O231 N23 Ru2 120.1(2) . . ?
O241 N24 O242 119.8(3) . . ?
O241 N24 Ru2 119.6(2) . . ?
O242 N24 Ru2 120.6(2) . . ?
O251 N25 O252 121.0(3) . . ?
O251 N25 Ru2 119.4(3) . . ?
O252 N25 Ru2 119.6(3) . . ?
C21 N26 Ni2 107.2(2) . . ?
C21 N26 H26A 110.3 . . ?
Ni2 N26 H26A 110.3 . . ?
C21 N26 H26B 110.3 . . ?
Ni2 N26 H26B 110.3 . . ?
H26A N26 H26B 108.5 . . ?
C22 N27 Ni2 108.6(2) . . ?
C22 N27 H27A 110.0 . . ?
Ni2 N27 H27A 110.0 . . ?
C22 N27 H27B 110.0 . . ?
Ni2 N27 H27B 110.0 . . ?
H27A N27 H27B 108.3 . . ?
C24 N28 Ni2 108.3(2) . . ?
C24 N28 H28A 110.0 . . ?
Ni2 N28 H28A 110.0 . . ?
C24 N28 H28B 110.0 . . ?
Ni2 N28 H28B 110.0 . . ?
H28A N28 H28B 108.4 . . ?
C23 N29 Ni2 108.3(2) . . ?
C23 N29 H29A 110.0 . . ?
Ni2 N29 H29A 110.0 . . ?
C23 N29 H29B 110.0 . . ?
Ni2 N29 H29B 110.0 . . ?
H29A N29 H29B 108.4 . . ?
N16 C11 C12 108.2(3) . . ?
N16 C11 H11A 110.1 . . ?
C12 C11 H11A 110.1 . . ?
N16 C11 H11B 110.1 . . ?
C12 C11 H11B 110.1 . . ?
H11A C11 H11B 108.4 . . ?
C11 C12 N17 109.9(3) . . ?
C11 C12 H12A 109.7 . . ?
N17 C12 H12A 109.7 . . ?
C11 C12 H12B 109.7 . . ?
N17 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
N18A C13A C14A 109.4(9) . . ?
N18A C13A H13A 109.8 . . ?
C14A C13A H13A 109.8 . . ?
N18A C13A H13B 109.8 . . ?
C14A C13A H13B 109.8 . . ?
H13A C13A H13B 108.2 . . ?
C14B C13B N18B 106.4(7) . . ?
C14B C13B H13C 110.4 . . ?
N18B C13B H13C 110.4 . . ?
C14B C13B H13D 110.4 . . ?
N18B C13B H13D 110.4 . . ?
H13C C13B H13D 108.6 . . ?
N19A C14A C13A 103.2(9) . . ?
N19A C14A H14C 111.1 . . ?
C13A C14A H14C 111.1 . . ?
N19A C14A H14D 111.1 . . ?
C13A C14A H14D 111.1 . . ?
H14C C14A H14D 109.1 . . ?
C13B C14B N19B 111.2(6) . . ?
C13B C14B H14A 109.4 . . ?
N19B C14B H14A 109.4 . . ?
C13B C14B H14B 109.4 . . ?
N19B C14B H14B 109.4 . . ?
H14A C14B H14B 108.0 . . ?
C22 C21 N26 111.6(4) . . ?
C22 C21 H21A 109.3 . . ?
N26 C21 H21A 109.3 . . ?
C22 C21 H21B 109.3 . . ?
N26 C21 H21B 109.3 . . ?
H21A C21 H21B 108.0 . . ?
C21 C22 N27 112.5(4) . . ?
C21 C22 H22A 109.1 . . ?
N27 C22 H22A 109.1 . . ?
C21 C22 H22B 109.1 . . ?
N27 C22 H22B 109.1 . . ?
H22A C22 H22B 107.8 . . ?
N29 C23 C24 108.5(3) . . ?
N29 C23 H23A 110.0 . . ?
C24 C23 H23A 110.0 . . ?
N29 C23 H23B 110.0 . . ?
C24 C23 H23B 110.0 . . ?
H23A C23 H23B 108.4 . . ?
N28 C24 C23 108.5(3) . . ?
N28 C24 H24A 110.0 . . ?
C23 C24 H24A 110.0 . . ?
N28 C24 H24B 110.0 . . ?
C23 C24 H24B 110.0 . . ?
H24A C24 H24B 108.4 . . ?

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
Ni1 O121 N12 O122 172.6(2) . . . . ?
Ni1 O121 N12 Ru1 -13.3(3) . . . . ?
Ni2 O221 N22 O222 175.2(2) . . . . ?
Ni2 O221 N22 Ru2 -10.1(3) . . . . ?
Ni1 N16 C11 C12 -47.6(4) . . . . ?
N16 C11 C12 N17 54.2(4) . . . . ?
Ni1 N17 C12 C11 -32.5(4) . . . . ?
Ni1 N18A C13A C14A -39.4(13) . . . . ?
Ni1 N18B C13B C14B 45.8(9) . . . . ?
Ni1 N19A C14A C13A -48.9(12) . . . . ?
N18A C13A C14A N19A 59.0(16) . . . . ?
N18B C13B C14B N19B -55.6(11) . . . . ?
Ni1 N19B C14B C13B 36.3(9) . . . . ?
Ni2 N26 C21 C22 -38.9(5) . . . . ?
N26 C21 C22 N27 48.8(6) . . . . ?
Ni2 N27 C22 C21 -32.1(5) . . . . ?
Ni2 N29 C23 C24 39.3(4) . . . . ?
Ni2 N28 C24 C23 42.6(4) . . . . ?
N29 C23 C24 N28 -55.2(4) . . . . ?

_refine_diff_density_max         0.974
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.089


_symmetry_space_group_name_Hall  ?
_diffrn_radiation_monochromator  graphite
_diffrn_standards_number         0
_diffrn_standards_decay_%        0
_symmetry_cell_setting           ?
_symmetry_space_group_name_h-m   ?
_symmetry_int_tables_number      ?
_chemical_absolute_configuration ?

# start Validation Reply Form
_vrf_PLAT230_bor538              
;
PROBLEM: Hirshfeld Test Diff for    O151     --N15      .        9.7 s.u.  
RESPONSE: This NO2-group has the slightly enlarged ADPs due to the possibility 
of the thermal movements of unfixed with H-bonds acceptor group and the high 
experimental temperature. Possibly, the big value for this test could be fused 
with the lowering of the experimental temperature.
;
_vrf_PLAT430_bor538              
;
PROBLEM: Short Inter D...A Contact  O21      ..O241     .       2.80 Ang.  
RESPONSE: This short distance is intramolecular between the NO- and NO2- groups 
of the same molecule.
;
# end Validation Reply Form
