# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2016

####################################################################### 
# 
# 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_yl160303
_database_code_depnum_ccdc_archive 'CCDC 1477541'
_audit_update_record             
;
2016-08-03 deposited with the CCDC.
2016-08-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H28 Cl2 N2 O Ru'
_chemical_formula_weight         628.53

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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.951(2)
_cell_length_b                   11.437(2)
_cell_length_c                   13.867(3)
_cell_angle_alpha                69.55(3)
_cell_angle_beta                 71.55(3)
_cell_angle_gamma                73.82(3)
_cell_volume                     1377.4(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9976
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      29.89

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             640
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21062
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0207
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4829
_reflns_number_gt                4435
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ORTEP
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0578P)²+1.1080P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4829
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0319
_refine_ls_wR_factor_ref         0.1035
_refine_ls_wR_factor_gt          0.0911
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_restrained_S_all      1.152
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.59292(2) 0.25389(2) 0.790361(17) 0.03368(11) Uani 1 1 d . . .
Cl1 Cl 0.74283(10) 0.04950(8) 0.84607(7) 0.0503(2) Uani 1 1 d . . .
Cl2 Cl 0.78262(14) -0.01589(12) 0.24341(9) 0.0746(3) Uani 1 1 d . . .
N1 N 0.8224(3) 0.2517(3) 0.59179(19) 0.0375(6) Uani 1 1 d . . .
N2 N 0.7859(3) 0.2978(2) 0.67973(19) 0.0326(5) Uani 1 1 d . . .
O1 O 0.5996(2) 0.1928(2) 0.66570(17) 0.0409(5) Uani 1 1 d . . .
C1 C 0.7186(3) 0.2019(3) 0.5930(2) 0.0341(6) Uani 1 1 d . . .
C2 C 0.7372(3) 0.1524(3) 0.5032(2) 0.0341(6) Uani 1 1 d . . .
C3 C 0.6161(4) 0.1391(3) 0.4809(3) 0.0467(8) Uani 1 1 d . . .
H3 H 0.5246 0.1630 0.5216 0.056 Uiso 1 1 calc R . .
C4 C 0.6305(4) 0.0910(4) 0.3991(3) 0.0525(9) Uani 1 1 d . . .
H4 H 0.5493 0.0848 0.3829 0.063 Uiso 1 1 calc R . .
C5 C 0.7663(4) 0.0522(3) 0.3417(3) 0.0444(8) Uani 1 1 d . . .
C6 C 0.8886(4) 0.0638(3) 0.3615(3) 0.0443(7) Uani 1 1 d . . .
H6 H 0.9799 0.0371 0.3221 0.053 Uiso 1 1 calc R . .
C7 C 0.8718(3) 0.1165(3) 0.4418(2) 0.0391(7) Uani 1 1 d . . .
H7 H 0.9530 0.1278 0.4545 0.047 Uiso 1 1 calc R . .
C8 C 0.5105(4) 0.2648(4) 0.9565(3) 0.0514(9) Uani 1 1 d . . .
C9 C 0.5416(4) 0.3825(4) 0.8889(3) 0.0494(9) Uani 1 1 d . . .
H9 H 0.6009 0.4207 0.9038 0.059 Uiso 1 1 calc R . .
C10 C 0.4848(4) 0.4450(3) 0.7979(3) 0.0439(7) Uani 1 1 d . . .
H10 H 0.5090 0.5224 0.7536 0.053 Uiso 1 1 calc R . .
C11 C 0.3921(3) 0.3914(3) 0.7738(3) 0.0425(7) Uani 1 1 d . . .
C12 C 0.3595(3) 0.2719(3) 0.8445(3) 0.0448(8) Uani 1 1 d . . .
H12 H 0.2978 0.2344 0.8314 0.054 Uiso 1 1 calc R . .
C13 C 0.4171(4) 0.2107(4) 0.9318(3) 0.0506(8) Uani 1 1 d . . .
H13 H 0.3945 0.1324 0.9755 0.061 Uiso 1 1 calc R . .
C14 C 0.5788(5) 0.1956(6) 1.0485(3) 0.0812(15) Uani 1 1 d . . .
H14A H 0.6707 0.2188 1.0326 0.122 Uiso 1 1 calc R . .
H14B H 0.5920 0.1056 1.0608 0.122 Uiso 1 1 calc R . .
H14C H 0.5174 0.2183 1.1108 0.122 Uiso 1 1 calc R . .
C15 C 0.3313(4) 0.4587(4) 0.6780(3) 0.0578(10) Uani 1 1 d . . .
H15 H 0.4037 0.5034 0.6216 0.069 Uiso 1 1 calc R . .
C16 C 0.1975(5) 0.5566(4) 0.7054(4) 0.0712(12) Uani 1 1 d . . .
H16A H 0.1560 0.5970 0.6453 0.107 Uiso 1 1 calc R . .
H16B H 0.2238 0.6193 0.7237 0.107 Uiso 1 1 calc R . .
H16C H 0.1285 0.5152 0.7645 0.107 Uiso 1 1 calc R . .
C17 C 0.2857(10) 0.3804(8) 0.6351(7) 0.142(3) Uani 1 1 d . . .
H17A H 0.3655 0.3152 0.6174 0.213 Uiso 1 1 calc R . .
H17B H 0.2532 0.4326 0.5725 0.213 Uiso 1 1 calc R . .
H17C H 0.2084 0.3420 0.6872 0.213 Uiso 1 1 calc R . .
C18 C 0.8820(4) 0.3519(3) 0.6812(3) 0.0419(7) Uani 1 1 d . . .
H18 H 0.9691 0.3470 0.6304 0.050 Uiso 1 1 calc R . .
C19 C 0.8636(3) 0.4213(3) 0.7576(2) 0.0366(7) Uani 1 1 d . . .
C20 C 0.8985(3) 0.3590(3) 0.8563(2) 0.0368(7) Uani 1 1 d . . .
C21 C 0.9592(4) 0.2265(3) 0.8869(3) 0.0502(8) Uani 1 1 d . . .
H21 H 0.9724 0.1772 0.8424 0.060 Uiso 1 1 calc R . .
C22 C 0.9974(5) 0.1730(4) 0.9803(4) 0.0675(12) Uani 1 1 d . . .
H22 H 1.0406 0.0875 0.9977 0.081 Uiso 1 1 calc R . .
C23 C 0.9740(6) 0.2414(5) 1.0513(4) 0.0765(14) Uani 1 1 d . . .
H23 H 1.0009 0.2013 1.1152 0.092 Uiso 1 1 calc R . .
C24 C 0.9129(5) 0.3652(5) 1.0283(3) 0.0639(11) Uani 1 1 d . . .
H24 H 0.8943 0.4093 1.0776 0.077 Uiso 1 1 calc R . .
C25 C 0.8759(4) 0.4303(3) 0.9282(3) 0.0434(7) Uani 1 1 d . . .
C26 C 0.8251(4) 0.5604(4) 0.8986(3) 0.0502(9) Uani 1 1 d . . .
H26 H 0.8069 0.6057 0.9469 0.060 Uiso 1 1 calc R . .
C27 C 0.8008(4) 0.6244(3) 0.7987(3) 0.0482(8) Uani 1 1 d . . .
C28 C 0.7623(4) 0.7598(4) 0.7645(5) 0.0717(13) Uani 1 1 d . . .
H28 H 0.7513 0.8064 0.8106 0.086 Uiso 1 1 calc R . .
C29 C 0.7418(5) 0.8202(4) 0.6674(6) 0.093(2) Uani 1 1 d . . .
H29 H 0.7166 0.9084 0.6466 0.112 Uiso 1 1 calc R . .
C30 C 0.7580(6) 0.7522(5) 0.5961(5) 0.092(2) Uani 1 1 d . . .
H30 H 0.7438 0.7964 0.5286 0.111 Uiso 1 1 calc R . .
C31 C 0.7941(4) 0.6228(4) 0.6237(3) 0.0637(11) Uani 1 1 d . . .
H31 H 0.8022 0.5795 0.5759 0.076 Uiso 1 1 calc R . .
C32 C 0.8194(3) 0.5542(3) 0.7263(3) 0.0419(7) 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 O1 2.056(2) . ?
Ru1 N2 2.105(3) . ?
Ru1 C10 2.173(3) . ?
Ru1 C12 2.177(3) . ?
Ru1 C13 2.188(3) . ?
Ru1 C11 2.192(3) . ?
Ru1 C9 2.199(3) . ?
Ru1 C8 2.223(3) . ?
Ru1 Cl1 2.4105(13) . ?
Cl2 C5 1.738(3) . ?
N1 C1 1.304(4) . ?
N1 N2 1.400(3) . ?
N2 C18 1.283(4) . ?
O1 C1 1.292(4) . ?
C1 C2 1.482(4) . ?
C2 C7 1.380(4) . ?
C2 C3 1.393(4) . ?
C3 C4 1.379(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.380(5) . ?
C6 C7 1.387(4) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.399(6) . ?
C8 C13 1.425(5) . ?
C8 C14 1.503(5) . ?
C9 C10 1.420(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.411(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.430(5) . ?
C11 C15 1.503(5) . ?
C12 C13 1.382(5) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C17 1.459(8) . ?
C15 C16 1.522(6) . ?
C15 H15 0.9800 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.473(4) . ?
C18 H18 0.9300 . ?
C19 C32 1.408(5) . ?
C19 C20 1.409(4) . ?
C20 C25 1.426(4) . ?
C20 C21 1.429(5) . ?
C21 C22 1.352(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.389(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.343(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.437(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.386(5) . ?
C26 C27 1.385(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.429(5) . ?
C27 C32 1.431(5) . ?
C28 C29 1.333(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.406(9) . ?
C29 H29 0.9300 . ?
C30 C31 1.364(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.428(5) . ?
C31 H31 0.9300 . ?

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
O1 Ru1 N2 75.94(9) . . ?
O1 Ru1 C10 120.75(12) . . ?
N2 Ru1 C10 98.51(12) . . ?
O1 Ru1 C12 92.06(11) . . ?
N2 Ru1 C12 154.05(12) . . ?
C10 Ru1 C12 67.64(13) . . ?
O1 Ru1 C13 116.58(12) . . ?
N2 Ru1 C13 166.48(12) . . ?
C10 Ru1 C13 79.78(14) . . ?
C12 Ru1 C13 36.91(14) . . ?
O1 Ru1 C11 92.83(11) . . ?
N2 Ru1 C11 118.29(11) . . ?
C10 Ru1 C11 37.71(13) . . ?
C12 Ru1 C11 38.20(13) . . ?
C13 Ru1 C11 68.21(14) . . ?
O1 Ru1 C9 158.66(13) . . ?
N2 Ru1 C9 103.63(12) . . ?
C10 Ru1 C9 37.91(14) . . ?
C12 Ru1 C9 79.27(13) . . ?
C13 Ru1 C9 66.77(14) . . ?
C11 Ru1 C9 68.29(13) . . ?
O1 Ru1 C8 153.81(13) . . ?
N2 Ru1 C8 129.23(12) . . ?
C10 Ru1 C8 67.99(14) . . ?
C12 Ru1 C8 67.60(13) . . ?
C13 Ru1 C8 37.69(14) . . ?
C11 Ru1 C8 81.31(13) . . ?
C9 Ru1 C8 36.87(15) . . ?
O1 Ru1 Cl1 84.36(7) . . ?
N2 Ru1 Cl1 83.25(8) . . ?
C10 Ru1 Cl1 154.61(10) . . ?
C12 Ru1 Cl1 118.93(10) . . ?
C13 Ru1 Cl1 92.62(11) . . ?
C11 Ru1 Cl1 156.99(10) . . ?
C9 Ru1 Cl1 116.92(11) . . ?
C8 Ru1 Cl1 91.17(11) . . ?
C1 N1 N2 110.5(2) . . ?
C18 N2 N1 113.5(3) . . ?
C18 N2 Ru1 131.8(2) . . ?
N1 N2 Ru1 114.48(18) . . ?
C1 O1 Ru1 112.89(18) . . ?
O1 C1 N1 125.6(3) . . ?
O1 C1 C2 116.7(3) . . ?
N1 C1 C2 117.7(3) . . ?
C7 C2 C3 118.8(3) . . ?
C7 C2 C1 121.7(3) . . ?
C3 C2 C1 119.4(3) . . ?
C4 C3 C2 120.6(3) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 119.2(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 121.8(3) . . ?
C4 C5 Cl2 118.5(3) . . ?
C6 C5 Cl2 119.7(3) . . ?
C5 C6 C7 118.2(3) . . ?
C5 C6 H6 120.9 . . ?
C7 C6 H6 120.9 . . ?
C2 C7 C6 121.4(3) . . ?
C2 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C9 C8 C13 117.5(3) . . ?
C9 C8 C14 120.9(4) . . ?
C13 C8 C14 121.6(4) . . ?
C9 C8 Ru1 70.62(19) . . ?
C13 C8 Ru1 69.80(19) . . ?
C14 C8 Ru1 128.3(3) . . ?
C8 C9 C10 121.4(3) . . ?
C8 C9 Ru1 72.5(2) . . ?
C10 C9 Ru1 70.07(19) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 H9 119.3 . . ?
Ru1 C9 H9 130.9 . . ?
C11 C10 C9 121.0(3) . . ?
C11 C10 Ru1 71.87(19) . . ?
C9 C10 Ru1 72.0(2) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
Ru1 C10 H10 129.0 . . ?
C10 C11 C12 116.9(3) . . ?
C10 C11 C15 120.7(3) . . ?
C12 C11 C15 122.4(3) . . ?
C10 C11 Ru1 70.42(19) . . ?
C12 C11 Ru1 70.33(19) . . ?
C15 C11 Ru1 130.1(2) . . ?
C13 C12 C11 121.7(3) . . ?
C13 C12 Ru1 72.0(2) . . ?
C11 C12 Ru1 71.47(18) . . ?
C13 C12 H12 119.1 . . ?
C11 C12 H12 119.1 . . ?
Ru1 C12 H12 130.1 . . ?
C12 C13 C8 121.4(3) . . ?
C12 C13 Ru1 71.14(19) . . ?
C8 C13 Ru1 72.5(2) . . ?
C12 C13 H13 119.3 . . ?
C8 C13 H13 119.3 . . ?
Ru1 C13 H13 129.6 . . ?
C8 C14 H14A 109.5 . . ?
C8 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C8 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 C11 116.8(5) . . ?
C17 C15 C16 105.4(4) . . ?
C11 C15 C16 109.3(3) . . ?
C17 C15 H15 108.3 . . ?
C11 C15 H15 108.3 . . ?
C16 C15 H15 108.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C19 124.5(3) . . ?
N2 C18 H18 117.7 . . ?
C19 C18 H18 117.7 . . ?
C32 C19 C20 120.2(3) . . ?
C32 C19 C18 118.0(3) . . ?
C20 C19 C18 121.7(3) . . ?
C19 C20 C25 119.3(3) . . ?
C19 C20 C21 122.5(3) . . ?
C25 C20 C21 118.2(3) . . ?
C22 C21 C20 120.0(4) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 122.1(4) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C24 C23 C22 120.4(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.7(4) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C26 C25 C20 119.7(3) . . ?
C26 C25 C24 121.8(3) . . ?
C20 C25 C24 118.4(3) . . ?
C27 C26 C25 121.6(3) . . ?
C27 C26 H26 119.2 . . ?
C25 C26 H26 119.2 . . ?
C26 C27 C28 121.5(4) . . ?
C26 C27 C32 119.6(3) . . ?
C28 C27 C32 118.9(4) . . ?
C29 C28 C27 120.8(5) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C30 120.8(4) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C31 C30 C29 121.4(5) . . ?
C31 C30 H30 119.3 . . ?
C29 C30 H30 119.3 . . ?
C30 C31 C32 119.7(5) . . ?
C30 C31 H31 120.1 . . ?
C32 C31 H31 120.1 . . ?
C19 C32 C31 122.4(4) . . ?
C19 C32 C27 119.3(3) . . ?
C31 C32 C27 118.3(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
C1 N1 N2 C18 -177.8(3) . . . . ?
C1 N1 N2 Ru1 6.6(3) . . . . ?
O1 Ru1 N2 C18 178.6(3) . . . . ?
C10 Ru1 N2 C18 58.9(3) . . . . ?
C12 Ru1 N2 C18 114.1(4) . . . . ?
C13 Ru1 N2 C18 -22.7(6) . . . . ?
C11 Ru1 N2 C18 93.0(3) . . . . ?
C9 Ru1 N2 C18 20.6(3) . . . . ?
C8 Ru1 N2 C18 -9.5(4) . . . . ?
Cl1 Ru1 N2 C18 -95.5(3) . . . . ?
O1 Ru1 N2 N1 -6.79(18) . . . . ?
C10 Ru1 N2 N1 -126.5(2) . . . . ?
C12 Ru1 N2 N1 -71.4(3) . . . . ?
C13 Ru1 N2 N1 151.9(5) . . . . ?
C11 Ru1 N2 N1 -92.4(2) . . . . ?
C9 Ru1 N2 N1 -164.8(2) . . . . ?
C8 Ru1 N2 N1 165.0(2) . . . . ?
Cl1 Ru1 N2 N1 79.06(19) . . . . ?
N2 Ru1 O1 C1 5.8(2) . . . . ?
C10 Ru1 O1 C1 97.4(2) . . . . ?
C12 Ru1 O1 C1 162.5(2) . . . . ?
C13 Ru1 O1 C1 -168.8(2) . . . . ?
C11 Ru1 O1 C1 124.3(2) . . . . ?
C9 Ru1 O1 C1 97.3(3) . . . . ?
C8 Ru1 O1 C1 -159.8(3) . . . . ?
Cl1 Ru1 O1 C1 -78.6(2) . . . . ?
Ru1 O1 C1 N1 -4.4(4) . . . . ?
Ru1 O1 C1 C2 176.23(19) . . . . ?
N2 N1 C1 O1 -1.5(4) . . . . ?
N2 N1 C1 C2 177.8(2) . . . . ?
O1 C1 C2 C7 -157.4(3) . . . . ?
N1 C1 C2 C7 23.1(4) . . . . ?
O1 C1 C2 C3 21.3(4) . . . . ?
N1 C1 C2 C3 -158.2(3) . . . . ?
C7 C2 C3 C4 0.0(5) . . . . ?
C1 C2 C3 C4 -178.7(3) . . . . ?
C2 C3 C4 C5 2.1(6) . . . . ?
C3 C4 C5 C6 -2.0(6) . . . . ?
C3 C4 C5 Cl2 176.7(3) . . . . ?
C4 C5 C6 C7 -0.1(5) . . . . ?
Cl2 C5 C6 C7 -178.8(3) . . . . ?
C3 C2 C7 C6 -2.2(5) . . . . ?
C1 C2 C7 C6 176.5(3) . . . . ?
C5 C6 C7 C2 2.3(5) . . . . ?
O1 Ru1 C8 C9 -143.8(3) . . . . ?
N2 Ru1 C8 C9 54.4(3) . . . . ?
C10 Ru1 C8 C9 -28.4(2) . . . . ?
C12 Ru1 C8 C9 -102.3(2) . . . . ?
C13 Ru1 C8 C9 -130.6(3) . . . . ?
C11 Ru1 C8 C9 -65.2(2) . . . . ?
Cl1 Ru1 C8 C9 136.7(2) . . . . ?
O1 Ru1 C8 C13 -13.2(4) . . . . ?
N2 Ru1 C8 C13 -175.00(19) . . . . ?
C10 Ru1 C8 C13 102.1(2) . . . . ?
C12 Ru1 C8 C13 28.2(2) . . . . ?
C11 Ru1 C8 C13 65.4(2) . . . . ?
C9 Ru1 C8 C13 130.6(3) . . . . ?
Cl1 Ru1 C8 C13 -92.8(2) . . . . ?
O1 Ru1 C8 C14 101.6(4) . . . . ?
N2 Ru1 C8 C14 -60.2(5) . . . . ?
C10 Ru1 C8 C14 -143.0(4) . . . . ?
C12 Ru1 C8 C14 143.1(5) . . . . ?
C13 Ru1 C8 C14 114.8(5) . . . . ?
C11 Ru1 C8 C14 -179.8(4) . . . . ?
C9 Ru1 C8 C14 -114.6(5) . . . . ?
Cl1 Ru1 C8 C14 22.1(4) . . . . ?
C13 C8 C9 C10 -1.1(5) . . . . ?
C14 C8 C9 C10 176.0(3) . . . . ?
Ru1 C8 C9 C10 52.3(3) . . . . ?
C13 C8 C9 Ru1 -53.5(3) . . . . ?
C14 C8 C9 Ru1 123.7(4) . . . . ?
O1 Ru1 C9 C8 134.2(3) . . . . ?
N2 Ru1 C9 C8 -139.6(2) . . . . ?
C10 Ru1 C9 C8 134.1(3) . . . . ?
C12 Ru1 C9 C8 66.8(2) . . . . ?
C13 Ru1 C9 C8 30.4(2) . . . . ?
C11 Ru1 C9 C8 105.1(2) . . . . ?
Cl1 Ru1 C9 C8 -50.3(2) . . . . ?
O1 Ru1 C9 C10 0.2(4) . . . . ?
N2 Ru1 C9 C10 86.4(2) . . . . ?
C12 Ru1 C9 C10 -67.2(2) . . . . ?
C13 Ru1 C9 C10 -103.7(2) . . . . ?
C11 Ru1 C9 C10 -29.0(2) . . . . ?
C8 Ru1 C9 C10 -134.1(3) . . . . ?
Cl1 Ru1 C9 C10 175.64(17) . . . . ?
C8 C9 C10 C11 1.3(5) . . . . ?
Ru1 C9 C10 C11 54.8(3) . . . . ?
C8 C9 C10 Ru1 -53.4(3) . . . . ?
O1 Ru1 C10 C11 47.5(2) . . . . ?
N2 Ru1 C10 C11 126.15(19) . . . . ?
C12 Ru1 C10 C11 -31.00(19) . . . . ?
C13 Ru1 C10 C11 -67.4(2) . . . . ?
C9 Ru1 C10 C11 -132.6(3) . . . . ?
C8 Ru1 C10 C11 -104.9(2) . . . . ?
Cl1 Ru1 C10 C11 -141.7(2) . . . . ?
O1 Ru1 C10 C9 -179.94(18) . . . . ?
N2 Ru1 C10 C9 -101.3(2) . . . . ?
C12 Ru1 C10 C9 101.6(2) . . . . ?
C13 Ru1 C10 C9 65.1(2) . . . . ?
C11 Ru1 C10 C9 132.6(3) . . . . ?
C8 Ru1 C10 C9 27.7(2) . . . . ?
Cl1 Ru1 C10 C9 -9.1(3) . . . . ?
C9 C10 C11 C12 -0.4(5) . . . . ?
Ru1 C10 C11 C12 54.4(3) . . . . ?
C9 C10 C11 C15 179.5(3) . . . . ?
Ru1 C10 C11 C15 -125.7(3) . . . . ?
C9 C10 C11 Ru1 -54.8(3) . . . . ?
O1 Ru1 C11 C10 -140.6(2) . . . . ?
N2 Ru1 C11 C10 -65.1(2) . . . . ?
C12 Ru1 C11 C10 129.6(3) . . . . ?
C13 Ru1 C11 C10 101.8(2) . . . . ?
C9 Ru1 C11 C10 29.1(2) . . . . ?
C8 Ru1 C11 C10 65.0(2) . . . . ?
Cl1 Ru1 C11 C10 137.1(2) . . . . ?
O1 Ru1 C11 C12 89.74(19) . . . . ?
N2 Ru1 C11 C12 165.29(18) . . . . ?
C10 Ru1 C11 C12 -129.6(3) . . . . ?
C13 Ru1 C11 C12 -27.8(2) . . . . ?
C9 Ru1 C11 C12 -100.5(2) . . . . ?
C8 Ru1 C11 C12 -64.6(2) . . . . ?
Cl1 Ru1 C11 C12 7.5(3) . . . . ?
O1 Ru1 C11 C15 -26.5(4) . . . . ?
N2 Ru1 C11 C15 49.1(4) . . . . ?
C10 Ru1 C11 C15 114.1(4) . . . . ?
C12 Ru1 C11 C15 -116.2(4) . . . . ?
C13 Ru1 C11 C15 -144.0(4) . . . . ?
C9 Ru1 C11 C15 143.3(4) . . . . ?
C8 Ru1 C11 C15 179.2(4) . . . . ?
Cl1 Ru1 C11 C15 -108.7(4) . . . . ?
C10 C11 C12 C13 -0.7(5) . . . . ?
C15 C11 C12 C13 179.4(3) . . . . ?
Ru1 C11 C12 C13 53.8(3) . . . . ?
C10 C11 C12 Ru1 -54.5(3) . . . . ?
C15 C11 C12 Ru1 125.7(3) . . . . ?
O1 Ru1 C12 C13 134.2(2) . . . . ?
N2 Ru1 C12 C13 -164.5(2) . . . . ?
C10 Ru1 C12 C13 -103.2(2) . . . . ?
C11 Ru1 C12 C13 -133.8(3) . . . . ?
C9 Ru1 C12 C13 -65.4(2) . . . . ?
C8 Ru1 C12 C13 -28.8(2) . . . . ?
Cl1 Ru1 C12 C13 49.5(2) . . . . ?
O1 Ru1 C12 C11 -91.96(19) . . . . ?
N2 Ru1 C12 C11 -30.7(4) . . . . ?
C10 Ru1 C12 C11 30.62(19) . . . . ?
C13 Ru1 C12 C11 133.8(3) . . . . ?
C9 Ru1 C12 C11 68.4(2) . . . . ?
C8 Ru1 C12 C11 105.0(2) . . . . ?
Cl1 Ru1 C12 C11 -176.65(16) . . . . ?
C11 C12 C13 C8 0.9(5) . . . . ?
Ru1 C12 C13 C8 54.5(3) . . . . ?
C11 C12 C13 Ru1 -53.5(3) . . . . ?
C9 C8 C13 C12 0.0(5) . . . . ?
C14 C8 C13 C12 -177.1(4) . . . . ?
Ru1 C8 C13 C12 -53.8(3) . . . . ?
C9 C8 C13 Ru1 53.9(3) . . . . ?
C14 C8 C13 Ru1 -123.3(4) . . . . ?
O1 Ru1 C13 C12 -53.2(2) . . . . ?
N2 Ru1 C13 C12 150.1(4) . . . . ?
C10 Ru1 C13 C12 66.2(2) . . . . ?
C11 Ru1 C13 C12 28.7(2) . . . . ?
C9 Ru1 C13 C12 103.5(2) . . . . ?
C8 Ru1 C13 C12 133.3(3) . . . . ?
Cl1 Ru1 C13 C12 -138.2(2) . . . . ?
O1 Ru1 C13 C8 173.5(2) . . . . ?
N2 Ru1 C13 C8 16.8(6) . . . . ?
C10 Ru1 C13 C8 -67.1(2) . . . . ?
C12 Ru1 C13 C8 -133.3(3) . . . . ?
C11 Ru1 C13 C8 -104.6(2) . . . . ?
C9 Ru1 C13 C8 -29.7(2) . . . . ?
Cl1 Ru1 C13 C8 88.5(2) . . . . ?
C10 C11 C15 C17 156.8(5) . . . . ?
C12 C11 C15 C17 -23.4(6) . . . . ?
Ru1 C11 C15 C17 67.3(6) . . . . ?
C10 C11 C15 C16 -83.7(4) . . . . ?
C12 C11 C15 C16 96.1(4) . . . . ?
Ru1 C11 C15 C16 -173.2(3) . . . . ?
N1 N2 C18 C19 172.7(3) . . . . ?
Ru1 N2 C18 C19 -12.7(5) . . . . ?
N2 C18 C19 C32 -96.3(4) . . . . ?
N2 C18 C19 C20 88.1(4) . . . . ?
C32 C19 C20 C25 5.7(4) . . . . ?
C18 C19 C20 C25 -178.8(3) . . . . ?
C32 C19 C20 C21 -172.8(3) . . . . ?
C18 C19 C20 C21 2.7(5) . . . . ?
C19 C20 C21 C22 176.6(3) . . . . ?
C25 C20 C21 C22 -1.9(5) . . . . ?
C20 C21 C22 C23 2.8(6) . . . . ?
C21 C22 C23 C24 -0.6(7) . . . . ?
C22 C23 C24 C25 -2.5(7) . . . . ?
C19 C20 C25 C26 -2.3(5) . . . . ?
C21 C20 C25 C26 176.2(3) . . . . ?
C19 C20 C25 C24 -179.6(3) . . . . ?
C21 C20 C25 C24 -1.1(5) . . . . ?
C23 C24 C25 C26 -174.0(4) . . . . ?
C23 C24 C25 C20 3.3(6) . . . . ?
C20 C25 C26 C27 -2.6(5) . . . . ?
C24 C25 C26 C27 174.6(3) . . . . ?
C25 C26 C27 C28 -173.7(3) . . . . ?
C25 C26 C27 C32 4.1(5) . . . . ?
C26 C27 C28 C29 178.8(4) . . . . ?
C32 C27 C28 C29 0.9(6) . . . . ?
C27 C28 C29 C30 -0.2(7) . . . . ?
C28 C29 C30 C31 0.4(8) . . . . ?
C29 C30 C31 C32 -1.4(7) . . . . ?
C20 C19 C32 C31 174.8(3) . . . . ?
C18 C19 C32 C31 -0.9(5) . . . . ?
C20 C19 C32 C27 -4.2(4) . . . . ?
C18 C19 C32 C27 -179.9(3) . . . . ?
C30 C31 C32 C19 -176.9(4) . . . . ?
C30 C31 C32 C27 2.1(5) . . . . ?
C26 C27 C32 C19 -0.7(5) . . . . ?
C28 C27 C32 C19 177.2(3) . . . . ?
C26 C27 C32 C31 -179.8(3) . . . . ?
C28 C27 C32 C31 -1.9(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.701
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.117
