# Electronic Supplementary Material (ESI) for Energy & Environmental Science.
# 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_RuPy
_database_code_depnum_ccdc_archive 'CCDC 1848578'
loop_
_audit_author_name
_audit_author_address
'Yu Sung Chun'
;Sogang University
South Korea
;
_audit_update_record             
;
2018-06-11 deposited with the CCDC.	2022-08-15 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         'C26 H22 N8 Ru, 2(Cl O4)'
_chemical_formula_sum            'C26 H22 Cl2 N8 O8 Ru'
_chemical_formula_weight         746.48

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'
O O 0.0106 0.0060 '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'
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           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 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+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   8.1943(4)
_cell_length_b                   21.1329(9)
_cell_length_c                   16.5436(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2864.8(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    8359
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      26.08

_exptl_crystal_description       Rod
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_F_000             1504
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.799
_shelx_estimated_absorpt_T_min   0.720
_shelx_estimated_absorpt_T_max   0.903
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6497
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'PHOTON 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13411
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_av_R_equivalents  0.0230
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.462
_diffrn_reflns_theta_max         26.076
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             2796
_reflns_number_gt                2535
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_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)+(0.1098P)²+19.0153P] 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         2796
_refine_ls_number_parameters     204
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0732
_refine_ls_R_factor_gt           0.0622
_refine_ls_wR_factor_ref         0.2083
_refine_ls_wR_factor_gt          0.1665
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_restrained_S_all      1.129
_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 1.0000 0.11253(3) 0.2500 0.0215(3) Uani 1 2 d S T P . .
N1 N 0.8601(5) 0.1828(2) 0.2181(2) 0.0218(9) Uani 1 1 d . . . . .
C1 C 0.9180(7) 0.2428(3) 0.2313(3) 0.0262(12) Uani 1 1 d . . . . .
C2 C 0.8223(8) 0.2939(3) 0.2092(4) 0.0327(13) Uani 1 1 d . . . . .
H2 H 0.8598 0.3354 0.2173 0.039 Uiso 1 1 calc R U . . .
C3 C 0.6714(8) 0.2832(3) 0.1752(4) 0.0385(15) Uani 1 1 d . . . . .
H3 H 0.6048 0.3179 0.1621 0.046 Uiso 1 1 calc R U . . .
C4 C 0.6153(7) 0.2224(3) 0.1598(4) 0.0326(13) Uani 1 1 d . . . . .
H4 H 0.5144 0.2152 0.1344 0.039 Uiso 1 1 calc R U . . .
C5 C 0.7155(7) 0.1727(3) 0.1837(3) 0.0259(12) Uani 1 1 d . . . . .
N2 N 0.6806(6) 0.1078(2) 0.1754(3) 0.0258(10) Uani 1 1 d . . . . .
N3 N 0.7924(6) 0.0641(2) 0.2049(3) 0.0263(10) Uani 1 1 d . . . . .
C6 C 0.7265(7) 0.0080(3) 0.1903(4) 0.0312(13) Uani 1 1 d . . . . .
H6 H 0.7758 -0.0309 0.2030 0.037 Uiso 1 1 calc R U . . .
C7 C 0.5728(8) 0.0147(3) 0.1534(4) 0.0373(14) Uani 1 1 d . . . . .
H7 H 0.5017 -0.0179 0.1373 0.045 Uiso 1 1 calc R U . . .
C8 C 0.5485(8) 0.0778(3) 0.1459(4) 0.0383(15) Uani 1 1 d . . . . .
H8 H 0.4554 0.0972 0.1239 0.046 Uiso 1 1 calc R U . . .
N4 N 1.1025(6) 0.1087(2) 0.1335(3) 0.0262(10) Uani 1 1 d . . . . .
C9 C 1.1505(7) 0.1610(3) 0.0955(3) 0.0273(12) Uani 1 1 d . . . . .
H9 H 1.1341 0.2005 0.1203 0.033 Uiso 1 1 calc R U . . .
C10 C 1.2251(8) 0.1585(3) 0.0194(4) 0.0351(14) Uani 1 1 d . . . . .
H10 H 1.2583 0.1958 -0.0067 0.042 Uiso 1 1 calc R U . . .
C11 C 1.2494(9) 0.0999(3) -0.0172(4) 0.0378(15) Uani 1 1 d . . . . .
H11 H 1.2993 0.0969 -0.0683 0.045 Uiso 1 1 calc R U . . .
C12 C 1.1982(8) 0.0462(3) 0.0234(4) 0.0365(14) Uani 1 1 d . . . . .
H12 H 1.2115 0.0060 0.0000 0.044 Uiso 1 1 calc R U . . .
C13 C 1.1263(7) 0.0523(3) 0.0997(3) 0.0270(12) Uani 1 1 d . . . . .
H13 H 1.0941 0.0157 0.1278 0.032 Uiso 1 1 calc R U . . .
Cl1 Cl 0.2437(2) 0.13857(8) 0.58281(13) 0.0507(5) Uani 1 1 d . . . . .
O1 O 0.1913(9) 0.2009(3) 0.5932(5) 0.078(2) Uani 1 1 d . . . . .
O2 O 0.1294(14) 0.1025(4) 0.6355(6) 0.116(4) Uani 1 1 d . . . . .
O3 O 0.2236(14) 0.1156(4) 0.5046(5) 0.097(3) Uani 1 1 d . . . . .
O4 O 0.3910(11) 0.1258(6) 0.6172(7) 0.144(5) 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 N1 1.948(4) . ?
Ru1 N1 1.948(4) 3_755 ?
Ru1 N4 2.104(5) . ?
Ru1 N4 2.104(5) 3_755 ?
Ru1 N3 2.121(5) . ?
Ru1 N3 2.121(5) 3_755 ?
N1 C5 1.331(7) . ?
N1 C1 1.371(7) . ?
C1 C2 1.384(8) . ?
C1 C1 1.480(12) 3_755 ?
C2 C3 1.377(9) . ?
C2 H2 0.9400 . ?
C3 C4 1.388(10) . ?
C3 H3 0.9400 . ?
C4 C5 1.391(8) . ?
C4 H4 0.9400 . ?
C5 N2 1.408(7) . ?
N2 C8 1.346(8) . ?
N2 N3 1.388(7) . ?
N3 C6 1.325(7) . ?
C6 C7 1.407(9) . ?
C6 H6 0.9400 . ?
C7 C8 1.353(10) . ?
C7 H7 0.9400 . ?
C8 H8 0.9400 . ?
N4 C9 1.331(7) . ?
N4 C13 1.331(7) . ?
C9 C10 1.401(8) . ?
C9 H9 0.9400 . ?
C10 C11 1.392(9) . ?
C10 H10 0.9400 . ?
C11 C12 1.384(10) . ?
C11 H11 0.9400 . ?
C12 C13 1.398(9) . ?
C12 H12 0.9400 . ?
C13 H13 0.9400 . ?
Cl1 O4 1.361(8) . ?
Cl1 O3 1.391(7) . ?
Cl1 O1 1.396(6) . ?
Cl1 O2 1.489(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 N1 80.8(3) . 3_755 ?
N1 Ru1 N4 90.92(17) . . ?
N1 Ru1 N4 92.43(17) 3_755 . ?
N1 Ru1 N4 92.43(17) . 3_755 ?
N1 Ru1 N4 90.92(17) 3_755 3_755 ?
N4 Ru1 N4 175.6(2) . 3_755 ?
N1 Ru1 N3 78.45(18) . . ?
N1 Ru1 N3 159.21(19) 3_755 . ?
N4 Ru1 N3 88.83(18) . . ?
N4 Ru1 N3 89.05(18) 3_755 . ?
N1 Ru1 N3 159.21(19) . 3_755 ?
N1 Ru1 N3 78.45(18) 3_755 3_755 ?
N4 Ru1 N3 89.05(18) . 3_755 ?
N4 Ru1 N3 88.83(18) 3_755 3_755 ?
N3 Ru1 N3 122.3(3) . 3_755 ?
C5 N1 C1 121.6(5) . . ?
C5 N1 Ru1 121.2(4) . . ?
C1 N1 Ru1 117.2(4) . . ?
N1 C1 C2 118.9(5) . . ?
N1 C1 C1 112.4(3) . 3_755 ?
C2 C1 C1 128.7(4) . 3_755 ?
C3 C2 C1 119.2(6) . . ?
C3 C2 H2 120.4 . . ?
C1 C2 H2 120.4 . . ?
C2 C3 C4 121.7(6) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C5 116.8(6) . . ?
C3 C4 H4 121.6 . . ?
C5 C4 H4 121.6 . . ?
N1 C5 C4 121.7(5) . . ?
N1 C5 N2 112.2(5) . . ?
C4 C5 N2 126.0(5) . . ?
C8 N2 N3 110.2(5) . . ?
C8 N2 C5 131.1(5) . . ?
N3 N2 C5 118.6(4) . . ?
C6 N3 N2 105.2(5) . . ?
C6 N3 Ru1 145.3(4) . . ?
N2 N3 Ru1 109.4(3) . . ?
N3 C6 C7 110.7(6) . . ?
N3 C6 H6 124.6 . . ?
C7 C6 H6 124.6 . . ?
C8 C7 C6 105.7(6) . . ?
C8 C7 H7 127.2 . . ?
C6 C7 H7 127.2 . . ?
N2 C8 C7 108.2(6) . . ?
N2 C8 H8 125.9 . . ?
C7 C8 H8 125.9 . . ?
C9 N4 C13 120.1(5) . . ?
C9 N4 Ru1 121.3(4) . . ?
C13 N4 Ru1 118.5(4) . . ?
N4 C9 C10 121.5(5) . . ?
N4 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
C11 C10 C9 119.2(6) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C12 C11 C10 118.3(6) . . ?
C12 C11 H11 120.9 . . ?
C10 C11 H11 120.9 . . ?
C11 C12 C13 119.4(6) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
N4 C13 C12 121.6(5) . . ?
N4 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
O4 Cl1 O3 115.1(7) . . ?
O4 Cl1 O1 114.1(6) . . ?
O3 Cl1 O1 114.0(5) . . ?
O4 Cl1 O2 102.2(8) . . ?
O3 Cl1 O2 107.0(6) . . ?
O1 Cl1 O2 102.6(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
C5 N1 C1 C2 0.9(8) . . . . ?
Ru1 N1 C1 C2 179.8(4) . . . . ?
C5 N1 C1 C1 -179.0(6) . . . 3_755 ?
Ru1 N1 C1 C1 0.0(8) . . . 3_755 ?
N1 C1 C2 C3 0.5(9) . . . . ?
C1 C1 C2 C3 -179.7(7) 3_755 . . . ?
C1 C2 C3 C4 -2.4(10) . . . . ?
C2 C3 C4 C5 2.9(9) . . . . ?
C1 N1 C5 C4 -0.3(8) . . . . ?
Ru1 N1 C5 C4 -179.2(4) . . . . ?
C1 N1 C5 N2 179.5(5) . . . . ?
Ru1 N1 C5 N2 0.6(6) . . . . ?
C3 C4 C5 N1 -1.5(9) . . . . ?
C3 C4 C5 N2 178.6(6) . . . . ?
N1 C5 N2 C8 178.4(6) . . . . ?
C4 C5 N2 C8 -1.8(10) . . . . ?
N1 C5 N2 N3 2.1(7) . . . . ?
C4 C5 N2 N3 -178.0(5) . . . . ?
C8 N2 N3 C6 1.7(6) . . . . ?
C5 N2 N3 C6 178.7(5) . . . . ?
C8 N2 N3 Ru1 179.5(4) . . . . ?
C5 N2 N3 Ru1 -3.5(6) . . . . ?
N2 N3 C6 C7 -1.2(6) . . . . ?
Ru1 N3 C6 C7 -177.5(5) . . . . ?
N3 C6 C7 C8 0.2(7) . . . . ?
N3 N2 C8 C7 -1.6(7) . . . . ?
C5 N2 C8 C7 -178.1(6) . . . . ?
C6 C7 C8 N2 0.9(8) . . . . ?
C13 N4 C9 C10 0.7(9) . . . . ?
Ru1 N4 C9 C10 177.3(5) . . . . ?
N4 C9 C10 C11 0.0(10) . . . . ?
C9 C10 C11 C12 0.1(10) . . . . ?
C10 C11 C12 C13 -0.8(10) . . . . ?
C9 N4 C13 C12 -1.4(9) . . . . ?
Ru1 N4 C13 C12 -178.2(4) . . . . ?
C11 C12 C13 N4 1.5(9) . . . . ?

_refine_diff_density_max         2.971
_refine_diff_density_min         -2.636
_refine_diff_density_rms         0.174

####################################################################### 
# 
# 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_No1
_database_code_depnum_ccdc_archive 'CCDC 1848580'
loop_
_audit_author_name
_audit_author_address
'Yu Sung Chun'
;Sogang University
South Korea
;
_audit_update_record             
;
2018-06-11 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H24 N10 Ru, 2(Cl O4)'
_chemical_formula_sum            'C24 H24 Cl2 N10 O8 Ru'
_chemical_formula_weight         752.50

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'
O O 0.0106 0.0060 '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'
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                   17.8962(5)
_cell_length_b                   10.2796(3)
_cell_length_c                   15.9597(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.8990(10)
_cell_angle_gamma                90
_cell_volume                     2935.68(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    9813
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      28.31

_exptl_crystal_description       Rod
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_F_000             1520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    0.783
_shelx_estimated_absorpt_T_min   0.834
_shelx_estimated_absorpt_T_max   0.905
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7054
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'PHOTON 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            44615
_diffrn_reflns_av_unetI/netI     0.0143
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.276
_diffrn_reflns_theta_max         28.348
_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             3670
_reflns_number_gt                3347
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (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)+(0.1000P)²] 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         3670
_refine_ls_number_parameters     205
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0366
_refine_ls_wR_factor_ref         0.1283
_refine_ls_wR_factor_gt          0.1199
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_restrained_S_all      1.141
_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 1.0000 0.02193(2) 0.2500 0.02084(12) Uani 1 2 d S T P . .
N1 N 1.04074(10) -0.0761(2) 0.14440(11) 0.0263(4) Uani 1 1 d . . . . .
C1 C 1.04756(13) -0.1916(3) 0.10672(15) 0.0339(5) Uani 1 1 d . . . . .
H1 H 1.0311 -0.2709 0.1293 0.041 Uiso 1 1 calc R U . . .
C2 C 1.08295(15) -0.1788(3) 0.02815(15) 0.0402(6) Uani 1 1 d . . . . .
H2 H 1.0944 -0.2454 -0.0099 0.048 Uiso 1 1 calc R U . . .
C3 C 1.09672(15) -0.0494(3) 0.01979(16) 0.0371(6) Uani 1 1 d . . . . .
H3 H 1.1197 -0.0093 -0.0261 0.045 Uiso 1 1 calc R U . . .
N2 N 1.07151(12) 0.0121(2) 0.08935(14) 0.0282(4) Uani 1 1 d . . . . .
C4 C 1.06570(12) 0.1451(2) 0.10741(14) 0.0279(5) Uani 1 1 d . . . . .
C5 C 1.09159(15) 0.2463(3) 0.05869(16) 0.0412(7) Uani 1 1 d . . . . .
H5 H 1.1175 0.2309 0.0089 0.049 Uiso 1 1 calc R U . . .
C6 C 1.07757(16) 0.3712(3) 0.08651(17) 0.0457(7) Uani 1 1 d . . . . .
H6 H 1.0926 0.4424 0.0539 0.055 Uiso 1 1 calc R U . . .
C7 C 1.04151(15) 0.3936(3) 0.16218(17) 0.0411(6) Uani 1 1 d . . . . .
H7 H 1.0330 0.4790 0.1809 0.049 Uiso 1 1 calc R U . . .
C8 C 1.01851(13) 0.2886(2) 0.20909(14) 0.0304(5) Uani 1 1 d . . . . .
N3 N 1.03067(10) 0.16634(19) 0.17929(11) 0.0251(4) Uani 1 1 d . . . . .
N4 N 0.89241(11) 0.01488(18) 0.19904(13) 0.0252(4) Uani 1 1 d . . . . .
C9 C 0.84636(12) 0.1124(2) 0.18376(14) 0.0300(5) Uani 1 1 d . . . . .
H9 H 0.8576 0.2005 0.1937 0.036 Uiso 1 1 calc R U . . .
N5 N 0.78112(11) 0.0685(2) 0.15207(13) 0.0336(4) Uani 1 1 d . . . . .
C10 C 0.78527(14) -0.0636(3) 0.14713(17) 0.0361(5) Uani 1 1 d . . . . .
H10 H 0.7478 -0.1206 0.1275 0.043 Uiso 1 1 calc R U . . .
C11 C 0.85497(12) -0.0967(2) 0.17647(15) 0.0301(5) Uani 1 1 d . . . . .
H11 H 0.8741 -0.1816 0.1805 0.036 Uiso 1 1 calc R U . . .
C12 C 0.71655(14) 0.1487(3) 0.1302(2) 0.0544(8) Uani 1 1 d . . . . .
H12A H 0.6747 0.1244 0.1648 0.082 Uiso 1 1 calc R U . . .
H12B H 0.7033 0.1356 0.0716 0.082 Uiso 1 1 calc R U . . .
H12C H 0.7287 0.2396 0.1396 0.082 Uiso 1 1 calc R U . . .
Cl1 Cl 0.33387(6) 0.02150(6) 0.12981(6) 0.0537(2) Uani 1 1 d . . . . .
O1 O 0.3503(3) -0.0711(5) 0.0691(3) 0.162(2) Uani 1 1 d . . . . .
O2 O 0.2810(3) 0.1048(4) 0.1077(5) 0.213(3) Uani 1 1 d . . . . .
O3 O 0.3185(3) -0.0547(5) 0.1974(3) 0.148(2) Uani 1 1 d . . . . .
O4 O 0.39849(19) 0.0958(3) 0.1499(4) 0.1397(18) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N3 1.9488(18) 2_755 ?
Ru1 N3 1.9488(18) . ?
Ru1 N4 2.080(2) . ?
Ru1 N4 2.080(2) 2_755 ?
Ru1 N1 2.1037(19) 2_755 ?
Ru1 N1 2.1037(19) . ?
N1 C1 1.338(3) . ?
N1 N2 1.383(3) . ?
C1 C2 1.420(3) . ?
C1 H1 0.9400 . ?
C2 C3 1.360(4) . ?
C2 H2 0.9400 . ?
C3 N2 1.360(3) . ?
C3 H3 0.9400 . ?
N2 C4 1.402(3) . ?
C4 N3 1.334(3) . ?
C4 C5 1.383(3) . ?
C5 C6 1.383(4) . ?
C5 H5 0.9400 . ?
C6 C7 1.397(4) . ?
C6 H6 0.9400 . ?
C7 C8 1.381(3) . ?
C7 H7 0.9400 . ?
C8 N3 1.362(3) . ?
C8 C8 1.473(5) 2_755 ?
N4 C9 1.318(3) . ?
N4 C11 1.373(3) . ?
C9 N5 1.343(3) . ?
C9 H9 0.9400 . ?
N5 C10 1.363(4) . ?
N5 C12 1.458(3) . ?
C10 C11 1.368(3) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
Cl1 O2 1.320(4) . ?
Cl1 O3 1.365(4) . ?
Cl1 O1 1.393(4) . ?
Cl1 O4 1.418(4) . ?

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
N3 Ru1 N3 80.76(11) 2_755 . ?
N3 Ru1 N4 89.17(7) 2_755 . ?
N3 Ru1 N4 93.87(7) . . ?
N3 Ru1 N4 93.87(7) 2_755 2_755 ?
N3 Ru1 N4 89.17(7) . 2_755 ?
N4 Ru1 N4 176.01(10) . 2_755 ?
N3 Ru1 N1 78.27(7) 2_755 2_755 ?
N3 Ru1 N1 158.91(8) . 2_755 ?
N4 Ru1 N1 88.06(7) . 2_755 ?
N4 Ru1 N1 90.02(7) 2_755 2_755 ?
N3 Ru1 N1 158.91(8) 2_755 . ?
N3 Ru1 N1 78.27(7) . . ?
N4 Ru1 N1 90.02(7) . . ?
N4 Ru1 N1 88.06(7) 2_755 . ?
N1 Ru1 N1 122.77(11) 2_755 . ?
C1 N1 N2 104.84(19) . . ?
C1 N1 Ru1 145.14(17) . . ?
N2 N1 Ru1 109.98(14) . . ?
N1 C1 C2 111.1(2) . . ?
N1 C1 H1 124.5 . . ?
C2 C1 H1 124.5 . . ?
C3 C2 C1 105.2(2) . . ?
C3 C2 H2 127.4 . . ?
C1 C2 H2 127.4 . . ?
C2 C3 N2 108.1(2) . . ?
C2 C3 H3 125.9 . . ?
N2 C3 H3 125.9 . . ?
C3 N2 N1 110.8(2) . . ?
C3 N2 C4 130.3(2) . . ?
N1 N2 C4 118.50(19) . . ?
N3 C4 C5 121.8(2) . . ?
N3 C4 N2 111.9(2) . . ?
C5 C4 N2 126.3(2) . . ?
C4 C5 C6 117.0(2) . . ?
C4 C5 H5 121.5 . . ?
C6 C5 H5 121.5 . . ?
C5 C6 C7 121.3(2) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C8 C7 C6 119.0(3) . . ?
C8 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
N3 C8 C7 118.8(2) . . ?
N3 C8 C8 112.70(12) . 2_755 ?
C7 C8 C8 128.50(15) . 2_755 ?
C4 N3 C8 122.1(2) . . ?
C4 N3 Ru1 120.93(16) . . ?
C8 N3 Ru1 116.90(15) . . ?
C9 N4 C11 106.6(2) . . ?
C9 N4 Ru1 128.18(16) . . ?
C11 N4 Ru1 125.22(16) . . ?
N4 C9 N5 110.5(2) . . ?
N4 C9 H9 124.7 . . ?
N5 C9 H9 124.7 . . ?
C9 N5 C10 108.01(19) . . ?
C9 N5 C12 125.5(2) . . ?
C10 N5 C12 126.4(2) . . ?
N5 C10 C11 106.1(2) . . ?
N5 C10 H10 126.9 . . ?
C11 C10 H10 126.9 . . ?
C10 C11 N4 108.7(2) . . ?
C10 C11 H11 125.6 . . ?
N4 C11 H11 125.6 . . ?
N5 C12 H12A 109.5 . . ?
N5 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N5 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O2 Cl1 O3 115.5(5) . . ?
O2 Cl1 O1 114.6(4) . . ?
O3 Cl1 O1 101.8(3) . . ?
O2 Cl1 O4 106.8(3) . . ?
O3 Cl1 O4 107.7(3) . . ?
O1 Cl1 O4 110.2(3) . . ?

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
N2 N1 C1 C2 0.4(3) . . . . ?
Ru1 N1 C1 C2 177.90(19) . . . . ?
N1 C1 C2 C3 -0.5(3) . . . . ?
C1 C2 C3 N2 0.3(3) . . . . ?
C2 C3 N2 N1 0.0(3) . . . . ?
C2 C3 N2 C4 -172.8(2) . . . . ?
C1 N1 N2 C3 -0.2(3) . . . . ?
Ru1 N1 N2 C3 -178.70(17) . . . . ?
C1 N1 N2 C4 173.5(2) . . . . ?
Ru1 N1 N2 C4 -5.0(2) . . . . ?
C3 N2 C4 N3 173.4(2) . . . . ?
N1 N2 C4 N3 1.1(3) . . . . ?
C3 N2 C4 C5 -6.2(4) . . . . ?
N1 N2 C4 C5 -178.5(2) . . . . ?
N3 C4 C5 C6 -1.9(4) . . . . ?
N2 C4 C5 C6 177.6(2) . . . . ?
C4 C5 C6 C7 2.5(4) . . . . ?
C5 C6 C7 C8 -1.0(4) . . . . ?
C6 C7 C8 N3 -1.1(4) . . . . ?
C6 C7 C8 C8 178.4(3) . . . 2_755 ?
C5 C4 N3 C8 -0.2(3) . . . . ?
N2 C4 N3 C8 -179.8(2) . . . . ?
C5 C4 N3 Ru1 -176.34(17) . . . . ?
N2 C4 N3 Ru1 4.1(3) . . . . ?
C7 C8 N3 C4 1.7(3) . . . . ?
C8 C8 N3 C4 -177.8(2) 2_755 . . . ?
C7 C8 N3 Ru1 178.02(17) . . . . ?
C8 C8 N3 Ru1 -1.5(3) 2_755 . . . ?
C11 N4 C9 N5 -0.2(3) . . . . ?
Ru1 N4 C9 N5 -178.80(15) . . . . ?
N4 C9 N5 C10 0.3(3) . . . . ?
N4 C9 N5 C12 178.1(2) . . . . ?
C9 N5 C10 C11 -0.3(2) . . . . ?
C12 N5 C10 C11 -178.0(3) . . . . ?
N5 C10 C11 N4 0.1(3) . . . . ?
C9 N4 C11 C10 0.1(3) . . . . ?
Ru1 N4 C11 C10 178.69(16) . . . . ?

_refine_diff_density_max         1.096
_refine_diff_density_min         -0.750
_refine_diff_density_rms         0.103

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_Ru_Pic_B
_database_code_depnum_ccdc_archive 'CCDC 1848584'
loop_
_audit_author_name
_audit_author_address
'Yu Sung Chun'
;Sogang University
South Korea
;
_audit_update_record             
;
2018-06-11 deposited with the CCDC.	2022-08-15 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         'C28 H26 N8 Ru, 2(F6 P), C2 H3 N'
_chemical_formula_sum            'C30 H29 F12 N9 P2 Ru'
_chemical_formula_weight         906.63

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'
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                   8.2606(4)
_cell_length_b                   10.7980(5)
_cell_length_c                   20.5518(10)
_cell_angle_alpha                77.5866(17)
_cell_angle_beta                 84.0528(19)
_cell_angle_gamma                84.8406(18)
_cell_volume                     1776.36(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    9919
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      28.13

_exptl_crystal_description       Plate
_exptl_crystal_colour            Purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_F_000             908
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.632
_shelx_estimated_absorpt_T_min   0.873
_shelx_estimated_absorpt_T_max   0.969
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7094
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'PHOTON 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            63936
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.367
_diffrn_reflns_theta_max         28.376
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8864
_reflns_number_gt                7383
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_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)+(0.0317P)²+2.1835P] 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         8864
_refine_ls_number_parameters     526
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0875
_refine_ls_wR_factor_gt          0.0796
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.002
_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 0.99405(2) 0.67024(2) 0.73470(2) 0.01890(6) Uani 1 1 d . . . . .
N1 N 1.2171(2) 0.57542(19) 0.70440(10) 0.0217(4) Uani 1 1 d . . . . .
N2 N 1.3255(2) 0.66433(19) 0.67220(10) 0.0229(4) Uani 1 1 d . . . . .
N3 N 1.1270(2) 0.81254(18) 0.69448(9) 0.0201(4) Uani 1 1 d . . . . .
N4 N 0.8362(2) 0.8112(2) 0.74670(10) 0.0228(4) Uani 1 1 d . . . . .
N5 N 0.6596(2) 0.6606(2) 0.79303(11) 0.0274(5) Uani 1 1 d . . . . .
N6 N 0.7865(2) 0.5730(2) 0.78120(10) 0.0246(4) Uani 1 1 d . . . . .
C1 C 1.2932(3) 0.4646(2) 0.69928(13) 0.0276(5) Uani 1 1 d . . . . .
H1 H 1.2498 0.3856 0.7172 0.033 Uiso 1 1 calc R U . . .
C2 C 1.4471(3) 0.4794(3) 0.66373(14) 0.0329(6) Uani 1 1 d . . . . .
H2 H 1.5232 0.4147 0.6535 0.040 Uiso 1 1 calc R U . . .
C3 C 1.4631(3) 0.6068(3) 0.64719(13) 0.0305(6) Uani 1 1 d . . . . .
H3 H 1.5532 0.6474 0.6229 0.037 Uiso 1 1 calc R U . . .
C4 C 1.2789(3) 0.7942(2) 0.66751(11) 0.0227(5) Uani 1 1 d . . . . .
C5 C 1.3738(3) 0.8943(3) 0.63921(13) 0.0291(6) Uani 1 1 d . . . . .
H5 H 1.4808 0.8806 0.6204 0.035 Uiso 1 1 calc R U . . .
C6 C 1.3046(3) 1.0154(3) 0.63985(14) 0.0330(6) Uani 1 1 d . . . . .
H6 H 1.3664 1.0856 0.6218 0.040 Uiso 1 1 calc R U . . .
C7 C 1.1456(3) 1.0354(3) 0.66660(13) 0.0308(6) Uani 1 1 d . . . . .
H7 H 1.0993 1.1183 0.6660 0.037 Uiso 1 1 calc R U . . .
C8 C 1.0569(3) 0.9322(2) 0.69402(12) 0.0241(5) Uani 1 1 d . . . . .
C9 C 0.8867(3) 0.9311(2) 0.72480(12) 0.0248(5) Uani 1 1 d . . . . .
C10 C 0.7801(3) 1.0339(3) 0.73242(14) 0.0334(6) Uani 1 1 d . . . . .
H10 H 0.8128 1.1172 0.7180 0.040 Uiso 1 1 calc R U . . .
C11 C 0.6235(4) 1.0117(3) 0.76179(15) 0.0406(7) Uani 1 1 d . . . . .
H11 H 0.5498 1.0813 0.7668 0.049 Uiso 1 1 calc R U . . .
C12 C 0.5730(3) 0.8903(3) 0.78378(14) 0.0378(7) Uani 1 1 d . . . . .
H12 H 0.4671 0.8757 0.8039 0.045 Uiso 1 1 calc R U . . .
C13 C 0.6854(3) 0.7906(3) 0.77487(12) 0.0269(5) Uani 1 1 d . . . . .
C14 C 0.5241(3) 0.6005(3) 0.82143(14) 0.0361(7) Uani 1 1 d . . . . .
H14 H 0.4232 0.6397 0.8343 0.043 Uiso 1 1 calc R U . . .
C15 C 0.5608(3) 0.4740(3) 0.82782(14) 0.0380(7) Uani 1 1 d . . . . .
H15 H 0.4912 0.4085 0.8457 0.046 Uiso 1 1 calc R U . . .
C16 C 0.7247(3) 0.4610(3) 0.80224(13) 0.0309(6) Uani 1 1 d . . . . .
H16 H 0.7829 0.3827 0.8004 0.037 Uiso 1 1 calc R U . . .
N7 N 0.9139(2) 0.66283(19) 0.64281(10) 0.0202(4) Uani 1 1 d . . . . .
C17 C 0.8715(3) 0.7655(2) 0.59622(12) 0.0235(5) Uani 1 1 d . . . . .
H17 H 0.8789 0.8466 0.6051 0.028 Uiso 1 1 calc R U . . .
C18 C 0.8178(3) 0.7575(2) 0.53622(13) 0.0266(5) Uani 1 1 d . . . . .
H18 H 0.7889 0.8320 0.5054 0.032 Uiso 1 1 calc R U . . .
C19 C 0.8063(3) 0.6396(2) 0.52108(12) 0.0253(5) Uani 1 1 d . . . . .
C20 C 0.8512(3) 0.5336(2) 0.56904(13) 0.0267(5) Uani 1 1 d . . . . .
H20 H 0.8462 0.4517 0.5609 0.032 Uiso 1 1 calc R U . . .
C21 C 0.9027(3) 0.5482(2) 0.62820(12) 0.0249(5) Uani 1 1 d . . . . .
H21 H 0.9315 0.4749 0.6599 0.030 Uiso 1 1 calc R U . . .
C22 C 0.7494(4) 0.6255(3) 0.45654(14) 0.0398(7) Uani 1 1 d . . . . .
H22A H 0.6371 0.6597 0.4536 0.060 Uiso 1 1 calc R U . . .
H22B H 0.7566 0.5362 0.4545 0.060 Uiso 1 1 calc R U . . .
H22C H 0.8175 0.6715 0.4195 0.060 Uiso 1 1 calc R U . . .
N8 N 1.0757(2) 0.65535(19) 0.82926(10) 0.0218(4) Uani 1 1 d . . . . .
C23 C 1.1096(3) 0.5391(2) 0.86656(12) 0.0263(5) Uani 1 1 d . . . . .
H23 H 1.0945 0.4677 0.8491 0.032 Uiso 1 1 calc R U . . .
C24 C 1.1653(3) 0.5198(3) 0.92901(13) 0.0328(6) Uani 1 1 d . . . . .
H24 H 1.1871 0.4366 0.9531 0.039 Uiso 1 1 calc R U . . .
C25 C 1.1894(4) 0.6224(3) 0.95654(13) 0.0358(6) Uani 1 1 d . . . . .
C26 C 1.1530(4) 0.7418(3) 0.91839(14) 0.0372(7) Uani 1 1 d . . . . .
H26 H 1.1661 0.8144 0.9351 0.045 Uiso 1 1 calc R U . . .
C27 C 1.0976(3) 0.7551(3) 0.85614(13) 0.0305(6) Uani 1 1 d . . . . .
H27 H 1.0741 0.8375 0.8313 0.037 Uiso 1 1 calc R U . . .
C28 C 1.2525(5) 0.6050(4) 1.02399(16) 0.0543(9) Uani 1 1 d . . . . .
H28A H 1.3640 0.6296 1.0187 0.081 Uiso 1 1 calc R U . . .
H28B H 1.2494 0.5166 1.0467 0.081 Uiso 1 1 calc R U . . .
H28C H 1.1850 0.6578 1.0503 0.081 Uiso 1 1 calc R U . . .
P1 P 0.27568(9) 0.82720(7) 0.46111(4) 0.03008(15) Uani 1 1 d . . . . .
F1 F 0.3784(3) 0.7575(2) 0.40769(11) 0.0639(6) Uani 1 1 d . . . . .
F2 F 0.2456(3) 0.6968(2) 0.51115(12) 0.0782(7) Uani 1 1 d . . . . .
F3 F 0.1735(2) 0.9004(2) 0.51283(11) 0.0614(6) Uani 1 1 d . . . . .
F4 F 0.3035(3) 0.95965(18) 0.41097(10) 0.0565(5) Uani 1 1 d . . . . .
F5 F 0.1148(2) 0.8155(2) 0.42688(10) 0.0568(5) Uani 1 1 d . . . . .
F6 F 0.4394(2) 0.8375(2) 0.49369(10) 0.0537(5) Uani 1 1 d . . . . .
P2 P 0.16316(11) 0.15153(7) 0.85094(4) 0.04221(19) Uani 1 1 d . . . . .
F7A F 0.271(2) 0.2510(16) 0.8684(10) 0.095(4) Uani 0.5 1 d . . P A 1
F8A F 0.2657(9) 0.1683(5) 0.7804(3) 0.0671(19) Uani 0.5 1 d . . P A 1
F9A F 0.0517(18) 0.0592(12) 0.8302(5) 0.076(3) Uani 0.5 1 d . . P A 1
F10A F 0.0680(9) 0.1343(9) 0.9215(4) 0.093(3) Uani 0.5 1 d . . P A 1
F7B F 0.299(2) 0.2394(14) 0.8446(10) 0.141(7) Uani 0.5 1 d . . P A 2
F8B F 0.2439(10) 0.0879(10) 0.7940(4) 0.127(3) Uani 0.5 1 d . . P A 2
F9B F 0.027(2) 0.0575(15) 0.8561(8) 0.140(6) Uani 0.5 1 d . . P A 2
F10B F 0.0688(19) 0.2026(11) 0.9071(6) 0.183(7) Uani 0.5 1 d . . P A 2
F11 F 0.0515(3) 0.2626(2) 0.81190(18) 0.1052(11) Uani 1 1 d . . . . .
F12 F 0.2818(4) 0.0430(3) 0.88771(17) 0.1122(11) Uani 1 1 d . . . . .
C29 C 0.7019(8) 0.9771(6) 0.9432(3) 0.111(2) Uani 1 1 d . . . . .
H29A H 0.8048 0.9960 0.9171 0.167 Uiso 1 1 calc R U . . .
H29B H 0.7077 0.9893 0.9883 0.167 Uiso 1 1 calc R U . . .
H29C H 0.6148 1.0335 0.9227 0.167 Uiso 1 1 calc R U . . .
C30 C 0.6699(7) 0.8475(7) 0.9455(2) 0.0912(17) Uani 1 1 d . . . . .
N9 N 0.6412(9) 0.7483(6) 0.9463(3) 0.139(2) 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 N4 1.953(2) . ?
Ru1 N3 1.9543(19) . ?
Ru1 N7 2.0845(19) . ?
Ru1 N8 2.092(2) . ?
Ru1 N6 2.123(2) . ?
Ru1 N1 2.128(2) . ?
N1 C1 1.321(3) . ?
N1 N2 1.386(3) . ?
N2 C3 1.354(3) . ?
N2 C4 1.406(3) . ?
N3 C4 1.334(3) . ?
N3 C8 1.366(3) . ?
N4 C13 1.335(3) . ?
N4 C9 1.364(3) . ?
N5 C14 1.359(3) . ?
N5 N6 1.386(3) . ?
N5 C13 1.402(3) . ?
N6 C16 1.323(3) . ?
C1 C2 1.403(4) . ?
C1 H1 0.9400 . ?
C2 C3 1.359(4) . ?
C2 H2 0.9400 . ?
C3 H3 0.9400 . ?
C4 C5 1.381(3) . ?
C5 C6 1.381(4) . ?
C5 H5 0.9400 . ?
C6 C7 1.387(4) . ?
C6 H6 0.9400 . ?
C7 C8 1.374(4) . ?
C7 H7 0.9400 . ?
C8 C9 1.481(3) . ?
C9 C10 1.379(4) . ?
C10 C11 1.388(4) . ?
C10 H10 0.9400 . ?
C11 C12 1.379(4) . ?
C11 H11 0.9400 . ?
C12 C13 1.387(4) . ?
C12 H12 0.9400 . ?
C14 C15 1.353(4) . ?
C14 H14 0.9400 . ?
C15 C16 1.407(4) . ?
C15 H15 0.9400 . ?
C16 H16 0.9400 . ?
N7 C17 1.346(3) . ?
N7 C21 1.348(3) . ?
C17 C18 1.375(3) . ?
C17 H17 0.9400 . ?
C18 C19 1.387(4) . ?
C18 H18 0.9400 . ?
C19 C20 1.391(4) . ?
C19 C22 1.494(4) . ?
C20 C21 1.373(4) . ?
C20 H20 0.9400 . ?
C21 H21 0.9400 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
N8 C23 1.345(3) . ?
N8 C27 1.345(3) . ?
C23 C24 1.376(4) . ?
C23 H23 0.9400 . ?
C24 C25 1.385(4) . ?
C24 H24 0.9400 . ?
C25 C26 1.383(4) . ?
C25 C28 1.500(4) . ?
C26 C27 1.377(4) . ?
C26 H26 0.9400 . ?
C27 H27 0.9400 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
P1 F2 1.578(2) . ?
P1 F3 1.588(2) . ?
P1 F6 1.5925(19) . ?
P1 F4 1.5927(19) . ?
P1 F1 1.593(2) . ?
P1 F5 1.5938(19) . ?
P2 F10B 1.501(10) . ?
P2 F7B 1.513(17) . ?
P2 F8B 1.545(7) . ?
P2 F10A 1.559(8) . ?
P2 F9B 1.562(15) . ?
P2 F9A 1.566(10) . ?
P2 F12 1.572(3) . ?
P2 F11 1.573(3) . ?
P2 F7A 1.576(16) . ?
P2 F8A 1.585(6) . ?
C29 C30 1.438(8) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 H29C 0.9700 . ?
C30 N9 1.114(7) . ?

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 N3 80.60(8) . . ?
N4 Ru1 N7 92.66(8) . . ?
N3 Ru1 N7 92.19(8) . . ?
N4 Ru1 N8 92.14(8) . . ?
N3 Ru1 N8 92.82(8) . . ?
N7 Ru1 N8 173.56(8) . . ?
N4 Ru1 N6 78.24(8) . . ?
N3 Ru1 N6 158.82(8) . . ?
N7 Ru1 N6 87.81(8) . . ?
N8 Ru1 N6 88.97(8) . . ?
N4 Ru1 N1 158.57(8) . . ?
N3 Ru1 N1 77.98(8) . . ?
N7 Ru1 N1 87.49(7) . . ?
N8 Ru1 N1 89.61(8) . . ?
N6 Ru1 N1 123.16(8) . . ?
C1 N1 N2 104.65(19) . . ?
C1 N1 Ru1 145.51(18) . . ?
N2 N1 Ru1 109.58(14) . . ?
C3 N2 N1 110.8(2) . . ?
C3 N2 C4 130.1(2) . . ?
N1 N2 C4 118.98(19) . . ?
C4 N3 C8 121.1(2) . . ?
C4 N3 Ru1 121.65(16) . . ?
C8 N3 Ru1 117.21(16) . . ?
C13 N4 C9 121.7(2) . . ?
C13 N4 Ru1 121.23(18) . . ?
C9 N4 Ru1 117.09(16) . . ?
C14 N5 N6 110.5(2) . . ?
C14 N5 C13 130.5(2) . . ?
N6 N5 C13 119.04(19) . . ?
C16 N6 N5 104.8(2) . . ?
C16 N6 Ru1 145.67(19) . . ?
N5 N6 Ru1 109.47(15) . . ?
N1 C1 C2 111.5(2) . . ?
N1 C1 H1 124.2 . . ?
C2 C1 H1 124.2 . . ?
C3 C2 C1 105.6(2) . . ?
C3 C2 H2 127.2 . . ?
C1 C2 H2 127.2 . . ?
N2 C3 C2 107.4(2) . . ?
N2 C3 H3 126.3 . . ?
C2 C3 H3 126.3 . . ?
N3 C4 C5 122.0(2) . . ?
N3 C4 N2 111.7(2) . . ?
C5 C4 N2 126.3(2) . . ?
C6 C5 C4 117.1(2) . . ?
C6 C5 H5 121.5 . . ?
C4 C5 H5 121.5 . . ?
C5 C6 C7 121.3(2) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C8 C7 C6 119.1(2) . . ?
C8 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
N3 C8 C7 119.4(2) . . ?
N3 C8 C9 112.3(2) . . ?
C7 C8 C9 128.3(2) . . ?
N4 C9 C10 119.4(2) . . ?
N4 C9 C8 112.8(2) . . ?
C10 C9 C8 127.9(2) . . ?
C9 C10 C11 118.6(3) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C12 C11 C10 121.7(3) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C11 C12 C13 117.1(3) . . ?
C11 C12 H12 121.4 . . ?
C13 C12 H12 121.4 . . ?
N4 C13 C12 121.5(3) . . ?
N4 C13 N5 112.0(2) . . ?
C12 C13 N5 126.5(2) . . ?
C15 C14 N5 107.6(2) . . ?
C15 C14 H14 126.2 . . ?
N5 C14 H14 126.2 . . ?
C14 C15 C16 105.7(2) . . ?
C14 C15 H15 127.1 . . ?
C16 C15 H15 127.1 . . ?
N6 C16 C15 111.3(3) . . ?
N6 C16 H16 124.3 . . ?
C15 C16 H16 124.3 . . ?
C17 N7 C21 116.9(2) . . ?
C17 N7 Ru1 124.47(16) . . ?
C21 N7 Ru1 118.66(16) . . ?
N7 C17 C18 123.1(2) . . ?
N7 C17 H17 118.5 . . ?
C18 C17 H17 118.5 . . ?
C17 C18 C19 120.1(2) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C20 116.7(2) . . ?
C18 C19 C22 122.3(2) . . ?
C20 C19 C22 121.0(2) . . ?
C21 C20 C19 120.3(2) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
N7 C21 C20 122.9(2) . . ?
N7 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C23 N8 C27 116.7(2) . . ?
C23 N8 Ru1 118.88(16) . . ?
C27 N8 Ru1 124.43(17) . . ?
N8 C23 C24 123.1(2) . . ?
N8 C23 H23 118.5 . . ?
C24 C23 H23 118.5 . . ?
C23 C24 C25 120.4(3) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C26 C25 C24 116.5(3) . . ?
C26 C25 C28 121.7(3) . . ?
C24 C25 C28 121.8(3) . . ?
C27 C26 C25 120.5(3) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
N8 C27 C26 122.9(3) . . ?
N8 C27 H27 118.6 . . ?
C26 C27 H27 118.6 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
F2 P1 F3 89.65(14) . . ?
F2 P1 F6 90.68(13) . . ?
F3 P1 F6 90.53(11) . . ?
F2 P1 F4 179.16(14) . . ?
F3 P1 F4 89.65(12) . . ?
F6 P1 F4 89.78(12) . . ?
F2 P1 F1 91.96(14) . . ?
F3 P1 F1 178.38(14) . . ?
F6 P1 F1 89.67(11) . . ?
F4 P1 F1 88.75(12) . . ?
F2 P1 F5 89.58(12) . . ?
F3 P1 F5 91.01(12) . . ?
F6 P1 F5 178.44(12) . . ?
F4 P1 F5 89.97(12) . . ?
F1 P1 F5 88.79(11) . . ?
F10B P2 F7B 93.7(9) . . ?
F10B P2 F8B 173.1(7) . . ?
F7B P2 F8B 93.1(8) . . ?
F10B P2 F9B 88.3(8) . . ?
F7B P2 F9B 177.8(9) . . ?
F8B P2 F9B 84.8(6) . . ?
F10A P2 F9A 90.5(5) . . ?
F10B P2 F12 103.6(6) . . ?
F7B P2 F12 87.2(7) . . ?
F8B P2 F12 76.7(4) . . ?
F10A P2 F12 83.0(4) . . ?
F9B P2 F12 91.6(7) . . ?
F9A P2 F12 95.0(6) . . ?
F10B P2 F11 78.2(6) . . ?
F7B P2 F11 90.7(7) . . ?
F8B P2 F11 101.8(4) . . ?
F10A P2 F11 99.4(4) . . ?
F9B P2 F11 90.4(7) . . ?
F9A P2 F11 86.3(6) . . ?
F12 P2 F11 177.31(19) . . ?
F10A P2 F7A 91.1(8) . . ?
F9A P2 F7A 176.5(10) . . ?
F12 P2 F7A 88.2(8) . . ?
F11 P2 F7A 90.4(8) . . ?
F10A P2 F8A 178.0(4) . . ?
F9A P2 F8A 90.9(5) . . ?
F12 P2 F8A 95.5(3) . . ?
F11 P2 F8A 82.2(3) . . ?
F7A P2 F8A 87.6(7) . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N9 C30 C29 178.0(7) . . ?

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
C1 N1 N2 C3 1.1(3) . . . . ?
Ru1 N1 N2 C3 -174.61(16) . . . . ?
C1 N1 N2 C4 178.6(2) . . . . ?
Ru1 N1 N2 C4 2.9(2) . . . . ?
C14 N5 N6 C16 0.5(3) . . . . ?
C13 N5 N6 C16 -178.9(2) . . . . ?
C14 N5 N6 Ru1 178.61(17) . . . . ?
C13 N5 N6 Ru1 -0.8(3) . . . . ?
N2 N1 C1 C2 -0.9(3) . . . . ?
Ru1 N1 C1 C2 172.0(2) . . . . ?
N1 C1 C2 C3 0.4(3) . . . . ?
N1 N2 C3 C2 -0.9(3) . . . . ?
C4 N2 C3 C2 -178.1(2) . . . . ?
C1 C2 C3 N2 0.3(3) . . . . ?
C8 N3 C4 C5 1.4(4) . . . . ?
Ru1 N3 C4 C5 -179.75(18) . . . . ?
C8 N3 C4 N2 -178.8(2) . . . . ?
Ru1 N3 C4 N2 0.1(3) . . . . ?
C3 N2 C4 N3 174.8(2) . . . . ?
N1 N2 C4 N3 -2.1(3) . . . . ?
C3 N2 C4 C5 -5.3(4) . . . . ?
N1 N2 C4 C5 177.7(2) . . . . ?
N3 C4 C5 C6 -0.1(4) . . . . ?
N2 C4 C5 C6 -179.9(2) . . . . ?
C4 C5 C6 C7 -1.2(4) . . . . ?
C5 C6 C7 C8 1.2(4) . . . . ?
C4 N3 C8 C7 -1.4(3) . . . . ?
Ru1 N3 C8 C7 179.67(18) . . . . ?
C4 N3 C8 C9 178.4(2) . . . . ?
Ru1 N3 C8 C9 -0.5(3) . . . . ?
C6 C7 C8 N3 0.2(4) . . . . ?
C6 C7 C8 C9 -179.7(2) . . . . ?
C13 N4 C9 C10 0.6(4) . . . . ?
Ru1 N4 C9 C10 -179.68(19) . . . . ?
C13 N4 C9 C8 -178.8(2) . . . . ?
Ru1 N4 C9 C8 0.9(3) . . . . ?
N3 C8 C9 N4 -0.3(3) . . . . ?
C7 C8 C9 N4 179.6(2) . . . . ?
N3 C8 C9 C10 -179.6(2) . . . . ?
C7 C8 C9 C10 0.2(4) . . . . ?
N4 C9 C10 C11 -0.6(4) . . . . ?
C8 C9 C10 C11 178.8(3) . . . . ?
C9 C10 C11 C12 0.5(4) . . . . ?
C10 C11 C12 C13 -0.5(4) . . . . ?
C9 N4 C13 C12 -0.6(4) . . . . ?
Ru1 N4 C13 C12 179.7(2) . . . . ?
C9 N4 C13 N5 179.5(2) . . . . ?
Ru1 N4 C13 N5 -0.2(3) . . . . ?
C11 C12 C13 N4 0.5(4) . . . . ?
C11 C12 C13 N5 -179.6(3) . . . . ?
C14 N5 C13 N4 -178.6(3) . . . . ?
N6 N5 C13 N4 0.7(3) . . . . ?
C14 N5 C13 C12 1.5(4) . . . . ?
N6 N5 C13 C12 -179.2(2) . . . . ?
N6 N5 C14 C15 -0.5(3) . . . . ?
C13 N5 C14 C15 178.9(3) . . . . ?
N5 C14 C15 C16 0.3(3) . . . . ?
N5 N6 C16 C15 -0.3(3) . . . . ?
Ru1 N6 C16 C15 -177.2(2) . . . . ?
C14 C15 C16 N6 0.1(3) . . . . ?
C21 N7 C17 C18 0.4(3) . . . . ?
Ru1 N7 C17 C18 -179.49(18) . . . . ?
N7 C17 C18 C19 -0.4(4) . . . . ?
C17 C18 C19 C20 0.0(4) . . . . ?
C17 C18 C19 C22 -179.8(2) . . . . ?
C18 C19 C20 C21 0.5(4) . . . . ?
C22 C19 C20 C21 -179.8(2) . . . . ?
C17 N7 C21 C20 0.1(3) . . . . ?
Ru1 N7 C21 C20 179.97(19) . . . . ?
C19 C20 C21 N7 -0.5(4) . . . . ?
C27 N8 C23 C24 -0.5(4) . . . . ?
Ru1 N8 C23 C24 179.4(2) . . . . ?
N8 C23 C24 C25 -0.1(4) . . . . ?
C23 C24 C25 C26 0.7(4) . . . . ?
C23 C24 C25 C28 -179.0(3) . . . . ?
C24 C25 C26 C27 -0.7(4) . . . . ?
C28 C25 C26 C27 179.0(3) . . . . ?
C23 N8 C27 C26 0.5(4) . . . . ?
Ru1 N8 C27 C26 -179.4(2) . . . . ?
C25 C26 C27 N8 0.2(5) . . . . ?

_refine_diff_density_max         0.751
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.092

