# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_14036
_database_code_depnum_ccdc_archive 'CCDC 1913188'
_audit_update_record             
;
2019-04-30 deposited with the CCDC.	2019-05-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H23 Cl N2 O Ru'
_chemical_formula_sum            'C20 H23 Cl N2 O Ru'
_chemical_formula_weight         443.92

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.350(4)
_cell_length_b                   7.9427(17)
_cell_length_c                   14.551(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.037(4)
_cell_angle_gamma                90.00
_cell_volume                     1848.1(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    972
_cell_measurement_theta_min      2.548
_cell_measurement_theta_max      23.417

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             904
_exptl_absorpt_coefficient_mu    1.003
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absorption correction based on 5423 reflections(SADABS);Rint 0.0857 before
correction and 0.0491 after.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15098
_diffrn_reflns_av_R_equivalents  0.0927
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.55
_diffrn_reflns_theta_max         27.00
_reflns_number_total             4026
_reflns_number_gt                3038
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0224P)²+0.0000P] 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         4026
_refine_ls_number_parameters     230
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_ref         0.0798
_refine_ls_wR_factor_gt          0.0748
_refine_ls_goodness_of_fit_ref   0.900
_refine_ls_restrained_S_all      0.900
_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 0.202406(18) 0.45228(4) 0.42307(2) 0.01702(9) Uani 1 1 d . . .
Cl1 Cl 0.15904(6) 0.74115(11) 0.43522(7) 0.0248(2) Uani 1 1 d . . .
O1 O 0.48954(15) 0.6978(3) 0.33470(17) 0.0248(6) Uani 1 1 d . . .
N1 N 0.12521(18) 0.4544(4) 0.2913(2) 0.0211(7) Uani 1 1 d . . .
N2 N 0.15660(18) 0.5276(4) 0.2215(2) 0.0188(7) Uani 1 1 d . . .
C1 C 0.0460(2) 0.4150(5) 0.2517(3) 0.0241(9) Uani 1 1 d . . .
H1 H 0.0078 0.3626 0.2838 0.029 Uiso 1 1 calc R . .
C2 C 0.0271(2) 0.4609(5) 0.1575(3) 0.0237(9) Uani 1 1 d . . .
H2 H -0.0243 0.4452 0.1140 0.028 Uiso 1 1 calc R . .
C3 C 0.0986(2) 0.5338(5) 0.1408(3) 0.0219(8) Uani 1 1 d . . .
H3 H 0.1059 0.5802 0.0829 0.026 Uiso 1 1 calc R . .
C4 C 0.2426(2) 0.5744(4) 0.2463(3) 0.0192(8) Uani 1 1 d . . .
C5 C 0.2830(2) 0.6381(5) 0.1801(3) 0.0212(8) Uani 1 1 d . . .
H5 H 0.2543 0.6510 0.1166 0.025 Uiso 1 1 calc R . .
C6 C 0.3665(2) 0.6830(4) 0.2078(2) 0.0209(8) Uani 1 1 d . . .
H6 H 0.3957 0.7292 0.1637 0.025 Uiso 1 1 calc R . .
C7 C 0.4065(2) 0.6600(4) 0.3000(3) 0.0194(8) Uani 1 1 d . . .
C8 C 0.3641(2) 0.5924(4) 0.3653(3) 0.0186(8) Uani 1 1 d . . .
H8 H 0.3932 0.5767 0.4284 0.022 Uiso 1 1 calc R . .
C9 C 0.2799(2) 0.5475(4) 0.3400(2) 0.0178(8) Uani 1 1 d . . .
C10 C 0.2460(2) 0.4310(5) 0.5747(2) 0.0228(9) Uani 1 1 d . . .
H10 H 0.2644 0.5349 0.6122 0.027 Uiso 1 1 calc R . .
C11 C 0.3027(2) 0.3486(5) 0.5299(2) 0.0207(8) Uani 1 1 d . . .
H11 H 0.3603 0.3958 0.5364 0.025 Uiso 1 1 calc R . .
C12 C 0.2752(2) 0.2227(4) 0.4605(2) 0.0186(8) Uani 1 1 d . . .
C13 C 0.1885(2) 0.1839(5) 0.4402(3) 0.0220(9) Uani 1 1 d . . .
H13 H 0.1650 0.1136 0.3839 0.026 Uiso 1 1 calc R . .
C14 C 0.1327(2) 0.2594(5) 0.4918(3) 0.0230(9) Uani 1 1 d . . .
H14 H 0.0712 0.2464 0.4673 0.028 Uiso 1 1 calc R . .
C15 C 0.1599(2) 0.3824(5) 0.5586(3) 0.0231(9) Uani 1 1 d . . .
C16 C 0.3371(2) 0.1380(5) 0.4128(3) 0.0224(9) Uani 1 1 d . . .
H16 H 0.3807 0.2228 0.4064 0.027 Uiso 1 1 calc R . .
C17 C 0.1009(3) 0.4700(5) 0.6088(3) 0.0331(10) Uani 1 1 d . . .
H17A H 0.0434 0.4358 0.5814 0.050 Uiso 1 1 calc R . .
H17B H 0.1063 0.5921 0.6023 0.050 Uiso 1 1 calc R . .
H17C H 0.1144 0.4396 0.6755 0.050 Uiso 1 1 calc R . .
C18 C 0.2985(2) 0.0732(5) 0.3147(3) 0.0303(10) Uani 1 1 d . . .
H18A H 0.2591 -0.0178 0.3194 0.045 Uiso 1 1 calc R . .
H18B H 0.3428 0.0306 0.2847 0.045 Uiso 1 1 calc R . .
H18C H 0.2688 0.1652 0.2769 0.045 Uiso 1 1 calc R . .
C19 C 0.3800(2) -0.0040(5) 0.4746(3) 0.0292(10) Uani 1 1 d . . .
H19A H 0.4040 0.0399 0.5373 0.044 Uiso 1 1 calc R . .
H19B H 0.4247 -0.0515 0.4468 0.044 Uiso 1 1 calc R . .
H19C H 0.3391 -0.0920 0.4794 0.044 Uiso 1 1 calc R . .
C20 C 0.5320(2) 0.7833(5) 0.2722(3) 0.0329(10) Uani 1 1 d . . .
H20A H 0.5363 0.7088 0.2197 0.049 Uiso 1 1 calc R . .
H20B H 0.5882 0.8150 0.3059 0.049 Uiso 1 1 calc R . .
H20C H 0.5007 0.8848 0.2480 0.049 Uiso 1 1 calc R . .


_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 2.064(3) . ?
Ru1 C9 2.069(3) . ?
Ru1 C13 2.164(4) . ?
Ru1 C11 2.172(3) . ?
Ru1 C10 2.179(4) . ?
Ru1 C12 2.184(3) . ?
Ru1 C14 2.262(3) . ?
Ru1 C15 2.292(3) . ?
Ru1 Cl1 2.4188(11) . ?
O1 C7 1.380(4) . ?
O1 C20 1.427(4) . ?
N1 C1 1.340(4) . ?
N1 N2 1.360(4) . ?
N2 C3 1.347(4) . ?
N2 C4 1.426(4) . ?
C1 C2 1.390(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.370(5) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.374(5) . ?
C4 C9 1.388(5) . ?
C5 C6 1.387(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.377(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.394(5) . ?
C8 C9 1.395(5) . ?
C8 H8 0.9500 . ?
C10 C11 1.402(5) . ?
C10 C15 1.431(5) . ?
C10 H10 1.0000 . ?
C11 C12 1.425(5) . ?
C11 H11 1.0000 . ?
C12 C13 1.421(5) . ?
C12 C16 1.501(5) . ?
C13 C14 1.428(5) . ?
C13 H13 1.0000 . ?
C14 C15 1.385(5) . ?
C14 H14 1.0000 . ?
C15 C17 1.498(5) . ?
C16 C19 1.520(5) . ?
C16 C18 1.524(5) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?

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 C9 77.56(13) . . ?
N1 Ru1 C13 93.24(13) . . ?
C9 Ru1 C13 121.29(13) . . ?
N1 Ru1 C11 153.09(13) . . ?
C9 Ru1 C11 95.37(14) . . ?
C13 Ru1 C11 68.03(14) . . ?
N1 Ru1 C10 161.58(13) . . ?
C9 Ru1 C10 120.60(14) . . ?
C13 Ru1 C10 80.04(14) . . ?
C11 Ru1 C10 37.58(13) . . ?
N1 Ru1 C12 115.76(13) . . ?
C9 Ru1 C12 94.74(13) . . ?
C13 Ru1 C12 38.14(12) . . ?
C11 Ru1 C12 38.19(13) . . ?
C10 Ru1 C12 68.67(13) . . ?
N1 Ru1 C14 98.59(13) . . ?
C9 Ru1 C14 158.76(14) . . ?
C13 Ru1 C14 37.57(13) . . ?
C11 Ru1 C14 78.57(13) . . ?
C10 Ru1 C14 65.72(14) . . ?
C12 Ru1 C14 67.84(13) . . ?
N1 Ru1 C15 124.42(13) . . ?
C9 Ru1 C15 157.53(14) . . ?
C13 Ru1 C15 66.69(13) . . ?
C11 Ru1 C15 67.14(13) . . ?
C10 Ru1 C15 37.23(13) . . ?
C12 Ru1 C15 80.21(13) . . ?
C14 Ru1 C15 35.40(13) . . ?
N1 Ru1 Cl1 85.89(9) . . ?
C9 Ru1 Cl1 85.45(10) . . ?
C13 Ru1 Cl1 152.46(10) . . ?
C11 Ru1 Cl1 119.76(10) . . ?
C10 Ru1 Cl1 92.21(10) . . ?
C12 Ru1 Cl1 157.93(10) . . ?
C14 Ru1 Cl1 115.32(10) . . ?
C15 Ru1 Cl1 91.20(10) . . ?
C7 O1 C20 116.3(3) . . ?
C1 N1 N2 105.1(3) . . ?
C1 N1 Ru1 138.2(3) . . ?
N2 N1 Ru1 116.4(2) . . ?
C3 N2 N1 111.1(3) . . ?
C3 N2 C4 133.6(3) . . ?
N1 N2 C4 115.3(3) . . ?
N1 C1 C2 110.9(3) . . ?
N1 C1 H1 124.5 . . ?
C2 C1 H1 124.5 . . ?
C3 C2 C1 105.3(3) . . ?
C3 C2 H2 127.3 . . ?
C1 C2 H2 127.3 . . ?
N2 C3 C2 107.5(3) . . ?
N2 C3 H3 126.2 . . ?
C2 C3 H3 126.2 . . ?
C5 C4 C9 124.6(3) . . ?
C5 C4 N2 120.7(3) . . ?
C9 C4 N2 114.7(3) . . ?
C4 C5 C6 118.6(3) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C7 C6 C5 119.2(3) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C6 C7 O1 123.9(3) . . ?
C6 C7 C8 120.9(3) . . ?
O1 C7 C8 115.2(3) . . ?
C7 C8 C9 121.4(3) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C4 C9 C8 115.3(3) . . ?
C4 C9 Ru1 115.6(3) . . ?
C8 C9 Ru1 129.1(3) . . ?
C11 C10 C15 121.4(3) . . ?
C11 C10 Ru1 70.9(2) . . ?
C15 C10 Ru1 75.7(2) . . ?
C11 C10 H10 119.1 . . ?
C15 C10 H10 119.1 . . ?
Ru1 C10 H10 119.1 . . ?
C10 C11 C12 121.1(3) . . ?
C10 C11 Ru1 71.5(2) . . ?
C12 C11 Ru1 71.4(2) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
Ru1 C11 H11 118.8 . . ?
C13 C12 C11 117.0(3) . . ?
C13 C12 C16 123.1(3) . . ?
C11 C12 C16 120.0(3) . . ?
C13 C12 Ru1 70.2(2) . . ?
C11 C12 Ru1 70.5(2) . . ?
C16 C12 Ru1 130.1(2) . . ?
C12 C13 C14 121.2(3) . . ?
C12 C13 Ru1 71.7(2) . . ?
C14 C13 Ru1 75.0(2) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
Ru1 C13 H13 119.2 . . ?
C15 C14 C13 121.3(3) . . ?
C15 C14 Ru1 73.5(2) . . ?
C13 C14 Ru1 67.5(2) . . ?
C15 C14 H14 118.3 . . ?
C13 C14 H14 118.3 . . ?
Ru1 C14 H14 118.3 . . ?
C14 C15 C10 117.8(3) . . ?
C14 C15 C17 121.7(4) . . ?
C10 C15 C17 120.4(4) . . ?
C14 C15 Ru1 71.1(2) . . ?
C10 C15 Ru1 67.1(2) . . ?
C17 C15 Ru1 130.4(3) . . ?
C12 C16 C19 109.4(3) . . ?
C12 C16 C18 113.4(3) . . ?
C19 C16 C18 110.7(3) . . ?
C12 C16 H16 107.7 . . ?
C19 C16 H16 107.7 . . ?
C18 C16 H16 107.7 . . ?
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 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O1 C20 H20A 109.5 . . ?
O1 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O1 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 Ru1 N1 C1 -179.2(4) . . . . ?
C13 Ru1 N1 C1 59.4(4) . . . . ?
C11 Ru1 N1 C1 103.7(4) . . . . ?
C10 Ru1 N1 C1 -8.3(7) . . . . ?
C12 Ru1 N1 C1 91.5(4) . . . . ?
C14 Ru1 N1 C1 22.0(4) . . . . ?
C15 Ru1 N1 C1 -4.4(4) . . . . ?
Cl1 Ru1 N1 C1 -93.0(4) . . . . ?
C9 Ru1 N1 N2 -6.3(2) . . . . ?
C13 Ru1 N1 N2 -127.7(2) . . . . ?
C11 Ru1 N1 N2 -83.4(4) . . . . ?
C10 Ru1 N1 N2 164.5(4) . . . . ?
C12 Ru1 N1 N2 -95.6(3) . . . . ?
C14 Ru1 N1 N2 -165.1(2) . . . . ?
C15 Ru1 N1 N2 168.5(2) . . . . ?
Cl1 Ru1 N1 N2 79.9(2) . . . . ?
C1 N1 N2 C3 0.1(4) . . . . ?
Ru1 N1 N2 C3 -175.0(2) . . . . ?
C1 N1 N2 C4 -177.4(3) . . . . ?
Ru1 N1 N2 C4 7.5(4) . . . . ?
N2 N1 C1 C2 0.5(4) . . . . ?
Ru1 N1 C1 C2 174.0(3) . . . . ?
N1 C1 C2 C3 -0.9(4) . . . . ?
N1 N2 C3 C2 -0.7(4) . . . . ?
C4 N2 C3 C2 176.2(3) . . . . ?
C1 C2 C3 N2 1.0(4) . . . . ?
C3 N2 C4 C5 -1.5(6) . . . . ?
N1 N2 C4 C5 175.2(3) . . . . ?
C3 N2 C4 C9 179.4(4) . . . . ?
N1 N2 C4 C9 -3.8(4) . . . . ?
C9 C4 C5 C6 -1.6(6) . . . . ?
N2 C4 C5 C6 179.5(3) . . . . ?
C4 C5 C6 C7 1.1(5) . . . . ?
C5 C6 C7 O1 178.9(3) . . . . ?
C5 C6 C7 C8 0.0(5) . . . . ?
C20 O1 C7 C6 7.4(5) . . . . ?
C20 O1 C7 C8 -173.6(3) . . . . ?
C6 C7 C8 C9 -0.6(5) . . . . ?
O1 C7 C8 C9 -179.7(3) . . . . ?
C5 C4 C9 C8 0.9(5) . . . . ?
N2 C4 C9 C8 179.9(3) . . . . ?
C5 C4 C9 Ru1 179.4(3) . . . . ?
N2 C4 C9 Ru1 -1.6(4) . . . . ?
C7 C8 C9 C4 0.2(5) . . . . ?
C7 C8 C9 Ru1 -178.0(3) . . . . ?
N1 Ru1 C9 C4 4.2(3) . . . . ?
C13 Ru1 C9 C4 90.4(3) . . . . ?
C11 Ru1 C9 C4 157.9(3) . . . . ?
C10 Ru1 C9 C4 -172.5(2) . . . . ?
C12 Ru1 C9 C4 119.5(3) . . . . ?
C14 Ru1 C9 C4 85.8(5) . . . . ?
C15 Ru1 C9 C4 -164.7(3) . . . . ?
Cl1 Ru1 C9 C4 -82.6(3) . . . . ?
N1 Ru1 C9 C8 -177.6(3) . . . . ?
C13 Ru1 C9 C8 -91.4(3) . . . . ?
C11 Ru1 C9 C8 -23.9(3) . . . . ?
C10 Ru1 C9 C8 5.8(4) . . . . ?
C12 Ru1 C9 C8 -62.2(3) . . . . ?
C14 Ru1 C9 C8 -95.9(5) . . . . ?
C15 Ru1 C9 C8 13.6(6) . . . . ?
Cl1 Ru1 C9 C8 95.6(3) . . . . ?
N1 Ru1 C10 C11 136.5(4) . . . . ?
C9 Ru1 C10 C11 -53.8(3) . . . . ?
C13 Ru1 C10 C11 66.8(2) . . . . ?
C12 Ru1 C10 C11 28.8(2) . . . . ?
C14 Ru1 C10 C11 103.3(2) . . . . ?
C15 Ru1 C10 C11 131.1(3) . . . . ?
Cl1 Ru1 C10 C11 -139.8(2) . . . . ?
N1 Ru1 C10 C15 5.4(5) . . . . ?
C9 Ru1 C10 C15 175.1(2) . . . . ?
C13 Ru1 C10 C15 -64.3(2) . . . . ?
C11 Ru1 C10 C15 -131.1(3) . . . . ?
C12 Ru1 C10 C15 -102.3(2) . . . . ?
C14 Ru1 C10 C15 -27.8(2) . . . . ?
Cl1 Ru1 C10 C15 89.1(2) . . . . ?
C15 C10 C11 C12 5.4(5) . . . . ?
Ru1 C10 C11 C12 -53.5(3) . . . . ?
C15 C10 C11 Ru1 58.8(3) . . . . ?
N1 Ru1 C11 C10 -151.3(3) . . . . ?
C9 Ru1 C11 C10 135.7(2) . . . . ?
C13 Ru1 C11 C10 -102.6(2) . . . . ?
C12 Ru1 C11 C10 -133.4(3) . . . . ?
C14 Ru1 C11 C10 -64.8(2) . . . . ?
C15 Ru1 C11 C10 -29.7(2) . . . . ?
Cl1 Ru1 C11 C10 47.9(2) . . . . ?
N1 Ru1 C11 C12 -17.9(4) . . . . ?
C9 Ru1 C11 C12 -90.8(2) . . . . ?
C13 Ru1 C11 C12 30.8(2) . . . . ?
C10 Ru1 C11 C12 133.4(3) . . . . ?
C14 Ru1 C11 C12 68.6(2) . . . . ?
C15 Ru1 C11 C12 103.8(2) . . . . ?
Cl1 Ru1 C11 C12 -178.66(16) . . . . ?
C10 C11 C12 C13 -0.7(5) . . . . ?
Ru1 C11 C12 C13 -54.2(3) . . . . ?
C10 C11 C12 C16 179.2(3) . . . . ?
Ru1 C11 C12 C16 125.7(3) . . . . ?
C10 C11 C12 Ru1 53.5(3) . . . . ?
N1 Ru1 C12 C13 -59.1(2) . . . . ?
C9 Ru1 C12 C13 -137.6(2) . . . . ?
C11 Ru1 C12 C13 129.8(3) . . . . ?
C10 Ru1 C12 C13 101.4(2) . . . . ?
C14 Ru1 C12 C13 29.9(2) . . . . ?
C15 Ru1 C12 C13 64.5(2) . . . . ?
Cl1 Ru1 C12 C13 132.8(2) . . . . ?
N1 Ru1 C12 C11 171.12(19) . . . . ?
C9 Ru1 C12 C11 92.7(2) . . . . ?
C13 Ru1 C12 C11 -129.8(3) . . . . ?
C10 Ru1 C12 C11 -28.4(2) . . . . ?
C14 Ru1 C12 C11 -99.9(2) . . . . ?
C15 Ru1 C12 C11 -65.3(2) . . . . ?
Cl1 Ru1 C12 C11 3.1(4) . . . . ?
N1 Ru1 C12 C16 57.9(4) . . . . ?
C9 Ru1 C12 C16 -20.5(3) . . . . ?
C13 Ru1 C12 C16 117.1(4) . . . . ?
C11 Ru1 C12 C16 -113.2(4) . . . . ?
C10 Ru1 C12 C16 -141.6(4) . . . . ?
C14 Ru1 C12 C16 146.9(4) . . . . ?
C15 Ru1 C12 C16 -178.5(4) . . . . ?
Cl1 Ru1 C12 C16 -110.1(3) . . . . ?
C11 C12 C13 C14 -4.3(5) . . . . ?
C16 C12 C13 C14 175.8(3) . . . . ?
Ru1 C12 C13 C14 -58.7(3) . . . . ?
C11 C12 C13 Ru1 54.4(3) . . . . ?
C16 C12 C13 Ru1 -125.6(3) . . . . ?
N1 Ru1 C13 C12 129.3(2) . . . . ?
C9 Ru1 C13 C12 51.9(3) . . . . ?
C11 Ru1 C13 C12 -30.8(2) . . . . ?
C10 Ru1 C13 C12 -68.0(2) . . . . ?
C14 Ru1 C13 C12 -130.8(3) . . . . ?
C15 Ru1 C13 C12 -104.4(2) . . . . ?
Cl1 Ru1 C13 C12 -143.4(2) . . . . ?
N1 Ru1 C13 C14 -99.9(2) . . . . ?
C9 Ru1 C13 C14 -177.3(2) . . . . ?
C11 Ru1 C13 C14 100.0(2) . . . . ?
C10 Ru1 C13 C14 62.8(2) . . . . ?
C12 Ru1 C13 C14 130.8(3) . . . . ?
C15 Ru1 C13 C14 26.4(2) . . . . ?
Cl1 Ru1 C13 C14 -12.6(4) . . . . ?
C12 C13 C14 C15 4.8(5) . . . . ?
Ru1 C13 C14 C15 -52.3(3) . . . . ?
C12 C13 C14 Ru1 57.1(3) . . . . ?
N1 Ru1 C14 C15 -140.7(2) . . . . ?
C9 Ru1 C14 C15 141.5(4) . . . . ?
C13 Ru1 C14 C15 135.1(3) . . . . ?
C11 Ru1 C14 C15 66.4(2) . . . . ?
C10 Ru1 C14 C15 29.2(2) . . . . ?
C12 Ru1 C14 C15 104.9(2) . . . . ?
Cl1 Ru1 C14 C15 -51.2(2) . . . . ?
N1 Ru1 C14 C13 84.1(2) . . . . ?
C9 Ru1 C14 C13 6.4(5) . . . . ?
C11 Ru1 C14 C13 -68.7(2) . . . . ?
C10 Ru1 C14 C13 -106.0(2) . . . . ?
C12 Ru1 C14 C13 -30.3(2) . . . . ?
C15 Ru1 C14 C13 -135.1(3) . . . . ?
Cl1 Ru1 C14 C13 173.61(18) . . . . ?
C13 C14 C15 C10 -0.2(5) . . . . ?
Ru1 C14 C15 C10 -49.9(3) . . . . ?
C13 C14 C15 C17 176.1(3) . . . . ?
Ru1 C14 C15 C17 126.5(3) . . . . ?
C13 C14 C15 Ru1 49.6(3) . . . . ?
C11 C10 C15 C14 -4.8(5) . . . . ?
Ru1 C10 C15 C14 51.7(3) . . . . ?
C11 C10 C15 C17 178.8(3) . . . . ?
Ru1 C10 C15 C17 -124.6(3) . . . . ?
C11 C10 C15 Ru1 -56.6(3) . . . . ?
N1 Ru1 C15 C14 49.3(3) . . . . ?
C9 Ru1 C15 C14 -143.9(3) . . . . ?
C13 Ru1 C15 C14 -27.9(2) . . . . ?
C11 Ru1 C15 C14 -102.8(2) . . . . ?
C10 Ru1 C15 C14 -132.8(3) . . . . ?
C12 Ru1 C15 C14 -65.3(2) . . . . ?
Cl1 Ru1 C15 C14 135.2(2) . . . . ?
N1 Ru1 C15 C10 -177.9(2) . . . . ?
C9 Ru1 C15 C10 -11.1(5) . . . . ?
C13 Ru1 C15 C10 104.8(2) . . . . ?
C11 Ru1 C15 C10 29.9(2) . . . . ?
C12 Ru1 C15 C10 67.5(2) . . . . ?
C14 Ru1 C15 C10 132.8(3) . . . . ?
Cl1 Ru1 C15 C10 -92.1(2) . . . . ?
N1 Ru1 C15 C17 -66.7(4) . . . . ?
C9 Ru1 C15 C17 100.1(5) . . . . ?
C13 Ru1 C15 C17 -143.9(4) . . . . ?
C11 Ru1 C15 C17 141.2(4) . . . . ?
C10 Ru1 C15 C17 111.3(5) . . . . ?
C12 Ru1 C15 C17 178.7(4) . . . . ?
C14 Ru1 C15 C17 -116.0(5) . . . . ?
Cl1 Ru1 C15 C17 19.2(4) . . . . ?
C13 C12 C16 C19 -97.2(4) . . . . ?
C11 C12 C16 C19 82.8(4) . . . . ?
Ru1 C12 C16 C19 171.7(3) . . . . ?
C13 C12 C16 C18 26.9(5) . . . . ?
C11 C12 C16 C18 -153.1(3) . . . . ?
Ru1 C12 C16 C18 -64.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.881
_refine_diff_density_rms         0.131
####################################################################### 
# 
# 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_17011
_database_code_depnum_ccdc_archive 'CCDC 1913189'
_audit_update_record             
;
2019-04-30 deposited with the CCDC.	2019-05-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H20 Cl F N2 Ru'
_chemical_formula_sum            'C19 H20 Cl F N2 Ru'
_chemical_formula_weight         431.89

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'
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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   7.8975(16)
_cell_length_b                   12.039(2)
_cell_length_c                   18.458(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.777(4)
_cell_angle_gamma                90.00
_cell_volume                     1734.4(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    834
_cell_measurement_theta_min      2.233
_cell_measurement_theta_max      23.286

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             872
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absoprtion correction based on 5795 reflections(SADABS);rint 0.0745 before
correction and 0.0462 after.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13275
_diffrn_reflns_av_R_equivalents  0.0790
_diffrn_reflns_av_sigmaI/netI    0.0802
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.03
_diffrn_reflns_theta_max         26.00
_reflns_number_total             3393
_reflns_number_gt                2636
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
DFIX restraints have been used for the aromatic ring C4-C9.

 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)+(0.0529P)²+0.0000P] 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         3393
_refine_ls_number_parameters     220
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.1094
_refine_ls_wR_factor_gt          0.1032
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.61415(5) 0.46910(3) 0.852507(19) 0.01847(14) Uani 1 1 d . . .
Cl1 Cl 0.31750(15) 0.50905(10) 0.86103(6) 0.0256(3) Uani 1 1 d . . .
F1 F 0.4436(5) 0.5559(3) 0.55904(18) 0.0626(11) Uani 1 1 d . . .
N1 N 0.5388(5) 0.3052(3) 0.8531(2) 0.0253(9) Uani 1 1 d . . .
N2 N 0.4606(5) 0.2627(3) 0.7873(2) 0.0272(9) Uani 1 1 d . . .
C1 C 0.5294(7) 0.2265(5) 0.9038(3) 0.0351(13) Uani 1 1 d . . .
H1 H 0.5738 0.2319 0.9545 0.042 Uiso 1 1 calc R . .
C2 C 0.4395(7) 0.1313(5) 0.8677(3) 0.0452(15) Uani 1 1 d . . .
H2 H 0.4136 0.0636 0.8900 0.054 Uiso 1 1 calc R . .
C3 C 0.3997(6) 0.1590(4) 0.7952(3) 0.0306(12) Uani 1 1 d . . .
H3 H 0.3404 0.1138 0.7574 0.037 Uiso 1 1 calc R . .
C4 C 0.4548(6) 0.3349(4) 0.7268(2) 0.0216(10) Uani 1 1 d D . .
C5 C 0.3829(6) 0.3036(5) 0.6570(3) 0.0298(12) Uani 1 1 d . . .
H5 H 0.3357 0.2314 0.6483 0.036 Uiso 1 1 calc R . .
C6 C 0.3800(7) 0.3775(5) 0.5999(3) 0.0425(14) Uani 1 1 d D . .
H6 H 0.3309 0.3577 0.5514 0.051 Uiso 1 1 calc R . .
C7 C 0.4497(8) 0.4796(5) 0.6152(3) 0.0433(15) Uani 1 1 d D . .
C8 C 0.5177(7) 0.5111(4) 0.6846(3) 0.0328(13) Uani 1 1 d D . .
H8 H 0.5599 0.5846 0.6929 0.039 Uiso 1 1 calc R . .
C9 C 0.5267(5) 0.4390(4) 0.7429(2) 0.0200(10) Uani 1 1 d D . .
C10 C 0.7968(6) 0.4713(4) 0.9580(3) 0.0252(11) Uani 1 1 d . . .
H10 H 0.7777 0.4168 0.9968 0.030 Uiso 1 1 calc R . .
C11 C 0.7046(6) 0.5691(4) 0.9534(3) 0.0232(11) Uani 1 1 d . . .
H11 H 0.6240 0.5831 0.9893 0.028 Uiso 1 1 calc R . .
C12 C 0.6942(6) 0.6379(4) 0.8895(2) 0.0225(11) Uani 1 1 d . . .
C13 C 0.7858(6) 0.6054(4) 0.8338(3) 0.0248(11) Uani 1 1 d . . .
H13 H 0.7653 0.6457 0.7859 0.030 Uiso 1 1 calc R . .
C14 C 0.8766(6) 0.5023(4) 0.8382(3) 0.0243(11) Uani 1 1 d . . .
H14 H 0.9196 0.4733 0.7936 0.029 Uiso 1 1 calc R . .
C15 C 0.8799(6) 0.4328(4) 0.8994(3) 0.0249(11) Uani 1 1 d . . .
C16 C 0.5869(6) 0.7423(4) 0.8862(3) 0.0259(11) Uani 1 1 d . . .
H16 H 0.4787 0.7231 0.9052 0.031 Uiso 1 1 calc R . .
C17 C 0.9709(6) 0.3234(4) 0.9034(3) 0.0301(12) Uani 1 1 d . . .
H17A H 1.0876 0.3326 0.9297 0.045 Uiso 1 1 calc R . .
H17B H 0.9756 0.2963 0.8537 0.045 Uiso 1 1 calc R . .
H17C H 0.9090 0.2697 0.9295 0.045 Uiso 1 1 calc R . .
C18 C 0.5361(7) 0.7881(5) 0.8084(3) 0.0362(13) Uani 1 1 d . . .
H18A H 0.6394 0.8101 0.7885 0.054 Uiso 1 1 calc R . .
H18B H 0.4615 0.8528 0.8098 0.054 Uiso 1 1 calc R . .
H18C H 0.4751 0.7306 0.7771 0.054 Uiso 1 1 calc R . .
C19 C 0.6797(7) 0.8305(4) 0.9374(3) 0.0412(14) Uani 1 1 d . . .
H19A H 0.7076 0.7999 0.9869 0.062 Uiso 1 1 calc R . .
H19B H 0.6053 0.8955 0.9384 0.062 Uiso 1 1 calc R . .
H19C H 0.7855 0.8527 0.9196 0.062 Uiso 1 1 calc R . .


_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 2.061(4) . ?
Ru1 C9 2.067(4) . ?
Ru1 C14 2.166(5) . ?
Ru1 C15 2.189(5) . ?
Ru1 C13 2.189(5) . ?
Ru1 C12 2.205(5) . ?
Ru1 C10 2.240(5) . ?
Ru1 C11 2.242(4) . ?
Ru1 Cl1 2.4201(13) . ?
F1 C7 1.381(6) . ?
N1 C1 1.342(6) . ?
N1 N2 1.374(5) . ?
N2 C3 1.353(6) . ?
N2 C4 1.410(6) . ?
C1 C2 1.455(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.369(7) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.380(6) . ?
C4 C9 1.390(5) . ?
C5 C6 1.376(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.359(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.365(6) . ?
C8 C9 1.376(6) . ?
C8 H8 0.9500 . ?
C10 C11 1.380(7) . ?
C10 C15 1.426(7) . ?
C10 H10 1.0000 . ?
C11 C12 1.433(6) . ?
C11 H11 1.0000 . ?
C12 C13 1.399(6) . ?
C12 C16 1.512(6) . ?
C13 C14 1.430(6) . ?
C13 H13 1.0000 . ?
C14 C15 1.403(7) . ?
C14 H14 1.0000 . ?
C15 C17 1.496(7) . ?
C16 C19 1.532(7) . ?
C16 C18 1.533(6) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 C9 77.53(17) . . ?
N1 Ru1 C14 117.36(17) . . ?
C9 Ru1 C14 95.49(18) . . ?
N1 Ru1 C15 93.83(17) . . ?
C9 Ru1 C15 120.59(18) . . ?
C14 Ru1 C15 37.58(18) . . ?
N1 Ru1 C13 154.77(17) . . ?
C9 Ru1 C13 95.73(17) . . ?
C14 Ru1 C13 38.33(17) . . ?
C15 Ru1 C13 68.43(18) . . ?
N1 Ru1 C12 161.74(16) . . ?
C9 Ru1 C12 120.11(17) . . ?
C14 Ru1 C12 68.49(17) . . ?
C15 Ru1 C12 81.33(18) . . ?
C13 Ru1 C12 37.13(16) . . ?
N1 Ru1 C10 98.89(16) . . ?
C9 Ru1 C10 158.05(18) . . ?
C14 Ru1 C10 66.61(18) . . ?
C15 Ru1 C10 37.55(17) . . ?
C13 Ru1 C10 78.23(18) . . ?
C12 Ru1 C10 66.66(17) . . ?
N1 Ru1 C11 124.43(17) . . ?
C9 Ru1 C11 157.49(18) . . ?
C14 Ru1 C11 79.22(17) . . ?
C15 Ru1 C11 67.29(17) . . ?
C13 Ru1 C11 66.52(17) . . ?
C12 Ru1 C11 37.60(17) . . ?
C10 Ru1 C11 35.88(17) . . ?
N1 Ru1 Cl1 84.66(12) . . ?
C9 Ru1 Cl1 85.20(13) . . ?
C14 Ru1 Cl1 157.66(13) . . ?
C15 Ru1 Cl1 153.30(13) . . ?
C13 Ru1 Cl1 119.34(13) . . ?
C12 Ru1 Cl1 91.80(13) . . ?
C10 Ru1 Cl1 116.26(13) . . ?
C11 Ru1 Cl1 91.61(12) . . ?
C1 N1 N2 106.7(4) . . ?
C1 N1 Ru1 136.6(4) . . ?
N2 N1 Ru1 116.3(3) . . ?
C3 N2 N1 111.6(4) . . ?
C3 N2 C4 133.2(4) . . ?
N1 N2 C4 115.2(4) . . ?
N1 C1 C2 108.2(5) . . ?
N1 C1 H1 125.9 . . ?
C2 C1 H1 125.9 . . ?
C3 C2 C1 106.2(5) . . ?
C3 C2 H2 126.9 . . ?
C1 C2 H2 126.9 . . ?
N2 C3 C2 107.3(5) . . ?
N2 C3 H3 126.4 . . ?
C2 C3 H3 126.4 . . ?
C5 C4 C9 122.8(4) . . ?
C5 C4 N2 122.1(4) . . ?
C9 C4 N2 115.1(4) . . ?
C6 C5 C4 119.7(5) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C7 C6 C5 117.8(5) . . ?
C7 C6 H6 121.1 . . ?
C5 C6 H6 121.1 . . ?
C6 C7 C8 122.3(5) . . ?
C6 C7 F1 118.6(5) . . ?
C8 C7 F1 119.0(5) . . ?
C7 C8 C9 121.7(5) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C8 C9 C4 115.6(4) . . ?
C8 C9 Ru1 128.6(3) . . ?
C4 C9 Ru1 115.6(3) . . ?
C11 C10 C15 122.0(5) . . ?
C11 C10 Ru1 72.1(3) . . ?
C15 C10 Ru1 69.3(3) . . ?
C11 C10 H10 117.9 . . ?
C15 C10 H10 117.9 . . ?
Ru1 C10 H10 117.9 . . ?
C10 C11 C12 120.4(4) . . ?
C10 C11 Ru1 72.0(3) . . ?
C12 C11 Ru1 69.8(3) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
Ru1 C11 H11 119.1 . . ?
C13 C12 C11 118.2(4) . . ?
C13 C12 C16 123.4(4) . . ?
C11 C12 C16 118.4(4) . . ?
C13 C12 Ru1 70.8(3) . . ?
C11 C12 Ru1 72.6(3) . . ?
C16 C12 Ru1 128.4(3) . . ?
C12 C13 C14 120.8(4) . . ?
C12 C13 Ru1 72.0(3) . . ?
C14 C13 Ru1 70.0(3) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
Ru1 C13 H13 118.8 . . ?
C15 C14 C13 120.7(4) . . ?
C15 C14 Ru1 72.1(3) . . ?
C13 C14 Ru1 71.7(3) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
Ru1 C14 H14 119.2 . . ?
C14 C15 C10 117.6(4) . . ?
C14 C15 C17 121.0(4) . . ?
C10 C15 C17 121.4(5) . . ?
C14 C15 Ru1 70.3(3) . . ?
C10 C15 Ru1 73.2(3) . . ?
C17 C15 Ru1 128.3(3) . . ?
C12 C16 C19 109.8(4) . . ?
C12 C16 C18 113.7(4) . . ?
C19 C16 C18 111.2(4) . . ?
C12 C16 H16 107.3 . . ?
C19 C16 H16 107.3 . . ?
C18 C16 H16 107.3 . . ?
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 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 Ru1 N1 C1 -176.7(5) . . . . ?
C14 Ru1 N1 C1 93.5(5) . . . . ?
C15 Ru1 N1 C1 62.8(5) . . . . ?
C13 Ru1 N1 C1 106.6(6) . . . . ?
C12 Ru1 N1 C1 -11.0(9) . . . . ?
C10 Ru1 N1 C1 25.3(5) . . . . ?
C11 Ru1 N1 C1 -2.2(6) . . . . ?
Cl1 Ru1 N1 C1 -90.5(5) . . . . ?
C9 Ru1 N1 N2 -5.1(3) . . . . ?
C14 Ru1 N1 N2 -94.8(3) . . . . ?
C15 Ru1 N1 N2 -125.5(3) . . . . ?
C13 Ru1 N1 N2 -81.8(5) . . . . ?
C12 Ru1 N1 N2 160.7(4) . . . . ?
C10 Ru1 N1 N2 -163.0(3) . . . . ?
C11 Ru1 N1 N2 169.5(3) . . . . ?
Cl1 Ru1 N1 N2 81.2(3) . . . . ?
C1 N1 N2 C3 0.7(5) . . . . ?
Ru1 N1 N2 C3 -173.3(3) . . . . ?
C1 N1 N2 C4 178.9(4) . . . . ?
Ru1 N1 N2 C4 4.9(5) . . . . ?
N2 N1 C1 C2 -0.6(6) . . . . ?
Ru1 N1 C1 C2 171.6(4) . . . . ?
N1 C1 C2 C3 0.3(6) . . . . ?
N1 N2 C3 C2 -0.5(6) . . . . ?
C4 N2 C3 C2 -178.2(5) . . . . ?
C1 C2 C3 N2 0.1(6) . . . . ?
C3 N2 C4 C5 -3.4(8) . . . . ?
N1 N2 C4 C5 178.9(4) . . . . ?
C3 N2 C4 C9 176.7(5) . . . . ?
N1 N2 C4 C9 -1.0(6) . . . . ?
C9 C4 C5 C6 -0.4(7) . . . . ?
N2 C4 C5 C6 179.8(5) . . . . ?
C4 C5 C6 C7 0.2(8) . . . . ?
C5 C6 C7 C8 -1.5(9) . . . . ?
C5 C6 C7 F1 -178.2(5) . . . . ?
C6 C7 C8 C9 3.0(9) . . . . ?
F1 C7 C8 C9 179.7(5) . . . . ?
C7 C8 C9 C4 -3.0(7) . . . . ?
C7 C8 C9 Ru1 -177.3(4) . . . . ?
C5 C4 C9 C8 1.7(7) . . . . ?
N2 C4 C9 C8 -178.4(4) . . . . ?
C5 C4 C9 Ru1 176.8(4) . . . . ?
N2 C4 C9 Ru1 -3.3(5) . . . . ?
N1 Ru1 C9 C8 178.7(5) . . . . ?
C14 Ru1 C9 C8 -64.4(5) . . . . ?
C15 Ru1 C9 C8 -94.2(5) . . . . ?
C13 Ru1 C9 C8 -25.9(5) . . . . ?
C12 Ru1 C9 C8 3.9(5) . . . . ?
C10 Ru1 C9 C8 -98.5(6) . . . . ?
C11 Ru1 C9 C8 10.6(7) . . . . ?
Cl1 Ru1 C9 C8 93.2(4) . . . . ?
N1 Ru1 C9 C4 4.5(3) . . . . ?
C14 Ru1 C9 C4 121.3(4) . . . . ?
C15 Ru1 C9 C4 91.5(4) . . . . ?
C13 Ru1 C9 C4 159.8(4) . . . . ?
C12 Ru1 C9 C4 -170.4(3) . . . . ?
C10 Ru1 C9 C4 87.3(6) . . . . ?
C11 Ru1 C9 C4 -163.7(4) . . . . ?
Cl1 Ru1 C9 C4 -81.1(3) . . . . ?
N1 Ru1 C10 C11 -139.5(3) . . . . ?
C9 Ru1 C10 C11 141.9(4) . . . . ?
C14 Ru1 C10 C11 104.5(3) . . . . ?
C15 Ru1 C10 C11 135.8(4) . . . . ?
C13 Ru1 C10 C11 66.0(3) . . . . ?
C12 Ru1 C10 C11 28.9(3) . . . . ?
Cl1 Ru1 C10 C11 -51.1(3) . . . . ?
N1 Ru1 C10 C15 84.7(3) . . . . ?
C9 Ru1 C10 C15 6.0(6) . . . . ?
C14 Ru1 C10 C15 -31.4(3) . . . . ?
C13 Ru1 C10 C15 -69.8(3) . . . . ?
C12 Ru1 C10 C15 -107.0(3) . . . . ?
C11 Ru1 C10 C15 -135.8(4) . . . . ?
Cl1 Ru1 C10 C15 173.1(2) . . . . ?
C15 C10 C11 C12 -2.0(7) . . . . ?
Ru1 C10 C11 C12 -52.3(4) . . . . ?
C15 C10 C11 Ru1 50.2(4) . . . . ?
N1 Ru1 C11 C10 51.1(3) . . . . ?
C9 Ru1 C11 C10 -142.9(4) . . . . ?
C14 Ru1 C11 C10 -64.8(3) . . . . ?
C15 Ru1 C11 C10 -27.4(3) . . . . ?
C13 Ru1 C11 C10 -102.8(3) . . . . ?
C12 Ru1 C11 C10 -133.4(4) . . . . ?
Cl1 Ru1 C11 C10 135.7(3) . . . . ?
N1 Ru1 C11 C12 -175.5(2) . . . . ?
C9 Ru1 C11 C12 -9.5(6) . . . . ?
C14 Ru1 C11 C12 68.6(3) . . . . ?
C15 Ru1 C11 C12 106.0(3) . . . . ?
C13 Ru1 C11 C12 30.6(3) . . . . ?
C10 Ru1 C11 C12 133.4(4) . . . . ?
Cl1 Ru1 C11 C12 -90.9(3) . . . . ?
C10 C11 C12 C13 -2.8(7) . . . . ?
Ru1 C11 C12 C13 -56.0(4) . . . . ?
C10 C11 C12 C16 178.0(4) . . . . ?
Ru1 C11 C12 C16 124.8(4) . . . . ?
C10 C11 C12 Ru1 53.3(4) . . . . ?
N1 Ru1 C12 C13 141.2(5) . . . . ?
C9 Ru1 C12 C13 -54.9(3) . . . . ?
C14 Ru1 C12 C13 28.8(3) . . . . ?
C15 Ru1 C12 C13 65.5(3) . . . . ?
C10 Ru1 C12 C13 101.6(3) . . . . ?
C11 Ru1 C12 C13 129.3(4) . . . . ?
Cl1 Ru1 C12 C13 -140.4(3) . . . . ?
N1 Ru1 C12 C11 12.0(6) . . . . ?
C9 Ru1 C12 C11 175.8(3) . . . . ?
C14 Ru1 C12 C11 -100.5(3) . . . . ?
C15 Ru1 C12 C11 -63.8(3) . . . . ?
C13 Ru1 C12 C11 -129.3(4) . . . . ?
C10 Ru1 C12 C11 -27.6(3) . . . . ?
Cl1 Ru1 C12 C11 90.3(3) . . . . ?
N1 Ru1 C12 C16 -100.8(6) . . . . ?
C9 Ru1 C12 C16 63.0(4) . . . . ?
C14 Ru1 C12 C16 146.8(4) . . . . ?
C15 Ru1 C12 C16 -176.5(4) . . . . ?
C13 Ru1 C12 C16 118.0(5) . . . . ?
C10 Ru1 C12 C16 -140.4(4) . . . . ?
C11 Ru1 C12 C16 -112.7(5) . . . . ?
Cl1 Ru1 C12 C16 -22.4(4) . . . . ?
C11 C12 C13 C14 4.7(7) . . . . ?
C16 C12 C13 C14 -176.2(4) . . . . ?
Ru1 C12 C13 C14 -52.2(4) . . . . ?
C11 C12 C13 Ru1 56.9(4) . . . . ?
C16 C12 C13 Ru1 -124.0(4) . . . . ?
N1 Ru1 C13 C12 -152.6(4) . . . . ?
C9 Ru1 C13 C12 134.6(3) . . . . ?
C14 Ru1 C13 C12 -133.7(4) . . . . ?
C15 Ru1 C13 C12 -104.7(3) . . . . ?
C10 Ru1 C13 C12 -66.7(3) . . . . ?
C11 Ru1 C13 C12 -31.0(3) . . . . ?
Cl1 Ru1 C13 C12 46.9(3) . . . . ?
N1 Ru1 C13 C14 -18.8(5) . . . . ?
C9 Ru1 C13 C14 -91.6(3) . . . . ?
C15 Ru1 C13 C14 29.1(3) . . . . ?
C12 Ru1 C13 C14 133.7(4) . . . . ?
C10 Ru1 C13 C14 67.0(3) . . . . ?
C11 Ru1 C13 C14 102.8(3) . . . . ?
Cl1 Ru1 C13 C14 -179.3(2) . . . . ?
C12 C13 C14 C15 -1.9(7) . . . . ?
Ru1 C13 C14 C15 -55.0(4) . . . . ?
C12 C13 C14 Ru1 53.2(4) . . . . ?
N1 Ru1 C14 C15 -56.7(3) . . . . ?
C9 Ru1 C14 C15 -135.5(3) . . . . ?
C13 Ru1 C14 C15 132.2(4) . . . . ?
C12 Ru1 C14 C15 104.3(3) . . . . ?
C10 Ru1 C14 C15 31.3(3) . . . . ?
C11 Ru1 C14 C15 66.6(3) . . . . ?
Cl1 Ru1 C14 C15 133.8(3) . . . . ?
N1 Ru1 C14 C13 171.1(3) . . . . ?
C9 Ru1 C14 C13 92.3(3) . . . . ?
C15 Ru1 C14 C13 -132.2(4) . . . . ?
C12 Ru1 C14 C13 -28.0(3) . . . . ?
C10 Ru1 C14 C13 -100.9(3) . . . . ?
C11 Ru1 C14 C13 -65.6(3) . . . . ?
Cl1 Ru1 C14 C13 1.6(5) . . . . ?
C13 C14 C15 C10 -2.9(6) . . . . ?
Ru1 C14 C15 C10 -57.7(4) . . . . ?
C13 C14 C15 C17 178.4(4) . . . . ?
Ru1 C14 C15 C17 123.6(4) . . . . ?
C13 C14 C15 Ru1 54.9(4) . . . . ?
C11 C10 C15 C14 4.9(7) . . . . ?
Ru1 C10 C15 C14 56.3(4) . . . . ?
C11 C10 C15 C17 -176.4(4) . . . . ?
Ru1 C10 C15 C17 -125.0(4) . . . . ?
C11 C10 C15 Ru1 -51.5(4) . . . . ?
N1 Ru1 C15 C14 131.9(3) . . . . ?
C9 Ru1 C15 C14 54.1(3) . . . . ?
C13 Ru1 C15 C14 -29.6(3) . . . . ?
C12 Ru1 C15 C14 -65.8(3) . . . . ?
C10 Ru1 C15 C14 -128.5(4) . . . . ?
C11 Ru1 C15 C14 -102.2(3) . . . . ?
Cl1 Ru1 C15 C14 -142.4(3) . . . . ?
N1 Ru1 C15 C10 -99.6(3) . . . . ?
C9 Ru1 C15 C10 -177.4(3) . . . . ?
C14 Ru1 C15 C10 128.5(4) . . . . ?
C13 Ru1 C15 C10 98.9(3) . . . . ?
C12 Ru1 C15 C10 62.7(3) . . . . ?
C11 Ru1 C15 C10 26.3(3) . . . . ?
Cl1 Ru1 C15 C10 -13.9(5) . . . . ?
N1 Ru1 C15 C17 17.5(5) . . . . ?
C9 Ru1 C15 C17 -60.3(5) . . . . ?
C14 Ru1 C15 C17 -114.5(5) . . . . ?
C13 Ru1 C15 C17 -144.1(5) . . . . ?
C12 Ru1 C15 C17 179.7(5) . . . . ?
C10 Ru1 C15 C17 117.1(6) . . . . ?
C11 Ru1 C15 C17 143.3(5) . . . . ?
Cl1 Ru1 C15 C17 103.2(5) . . . . ?
C13 C12 C16 C19 -105.3(5) . . . . ?
C11 C12 C16 C19 73.8(5) . . . . ?
Ru1 C12 C16 C19 163.4(4) . . . . ?
C13 C12 C16 C18 19.9(7) . . . . ?
C11 C12 C16 C18 -160.9(4) . . . . ?
Ru1 C12 C16 C18 -71.3(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         1.449
_refine_diff_density_min         -0.651
_refine_diff_density_rms         0.139
####################################################################### 
# 
# 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_16146
_database_code_depnum_ccdc_archive 'CCDC 1913190'
_audit_update_record             
;
2019-04-30 deposited with the CCDC.	2019-05-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H20 Cl F3 N2 Ru'
_chemical_formula_sum            'C20 H20 Cl F3 N2 Ru'
_chemical_formula_weight         481.90

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'
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                   7.9136(17)
_cell_length_b                   10.349(2)
_cell_length_c                   11.554(3)
_cell_angle_alpha                96.208(4)
_cell_angle_beta                 95.953(4)
_cell_angle_gamma                91.935(4)
_cell_volume                     934.7(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    769
_cell_measurement_theta_min      2.812
_cell_measurement_theta_max      27.813

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             484
_exptl_absorpt_coefficient_mu    1.017
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absoprtion correction based on 4928 reflections(SADABS);Rint 0.0941 before
correction and 0.0271 after.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7909
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0659
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.78
_diffrn_reflns_theta_max         27.00
_reflns_number_total             4010
_reflns_number_gt                3444
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0433P)²+0.0000P] 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         4010
_refine_ls_number_parameters     274
_refine_ls_number_restraints     40
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.0883
_refine_ls_wR_factor_gt          0.0858
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      1.027
_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 0.62726(3) 0.70281(3) 0.68572(2) 0.01586(10) Uani 1 1 d . . .
Cl1 Cl 0.72299(11) 0.69851(9) 0.49262(7) 0.0226(2) Uani 1 1 d . . .
N1 N 0.4125(4) 0.7885(3) 0.6191(2) 0.0198(6) Uani 1 1 d . . .
N2 N 0.4188(4) 0.9206(3) 0.6239(2) 0.0189(6) Uani 1 1 d . . .
C1 C 0.6996(4) 0.8975(3) 0.7115(3) 0.0174(7) Uani 1 1 d . . .
C2 C 0.5748(4) 0.9833(3) 0.6773(3) 0.0182(7) Uani 1 1 d . . .
C3 C 0.5953(5) 1.1178(4) 0.6945(3) 0.0224(8) Uani 1 1 d . . .
H3 H 0.5060 1.1711 0.6700 0.027 Uiso 1 1 calc R . .
C4 C 0.7497(5) 1.1720(3) 0.7483(3) 0.0222(8) Uani 1 1 d . . .
H4 H 0.7674 1.2638 0.7627 0.027 Uiso 1 1 calc R . .
C5 C 0.8784(4) 1.0913(3) 0.7813(3) 0.0203(7) Uani 1 1 d . A .
C6 C 0.8543(4) 0.9562(3) 0.7625(3) 0.0195(7) Uani 1 1 d . . .
H6 H 0.9451 0.9033 0.7849 0.023 Uiso 1 1 calc R . .
C7 C 0.2548(4) 0.7499(4) 0.5729(3) 0.0224(8) Uani 1 1 d . . .
H7 H 0.2125 0.6620 0.5591 0.027 Uiso 1 1 calc R . .
C8 C 0.1610(5) 0.8569(4) 0.5478(3) 0.0251(8) Uani 1 1 d . . .
H8 H 0.0459 0.8558 0.5147 0.030 Uiso 1 1 calc R . .
C9 C 0.2691(4) 0.9642(4) 0.5807(3) 0.0244(8) Uani 1 1 d . . .
H9 H 0.2433 1.0523 0.5742 0.029 Uiso 1 1 calc R . .
C10 C 1.0448(4) 1.1509(4) 0.8420(3) 0.0318(9) Uani 1 1 d DU . .
F1A F 1.0376(12) 1.2577(7) 0.9124(8) 0.072(4) Uani 0.50 1 d PDU A 1
F2A F 1.1290(8) 1.2002(9) 0.7624(4) 0.0638(18) Uani 0.50 1 d PD A 1
F3A F 1.0574(8) 1.1255(9) 0.9525(4) 0.0628(19) Uani 0.50 1 d PD A 1
F1B F 1.0533(14) 1.2735(6) 0.8549(9) 0.069(3) Uani 0.50 1 d PU A 2
F2B F 1.1822(6) 1.1016(10) 0.8058(9) 0.071(3) Uani 0.50 1 d PDU A 2
F3B F 1.1538(10) 1.0720(7) 0.8760(10) 0.072(3) Uani 0.50 1 d PU A 2
C11 C 0.6688(5) 0.6883(3) 0.8711(3) 0.0209(7) Uani 1 1 d . . .
H11 H 0.6827 0.7698 0.9269 0.025 Uiso 1 1 calc R . .
C12 C 0.8132(4) 0.6392(4) 0.8200(3) 0.0215(8) Uani 1 1 d . . .
H12 H 0.9252 0.6885 0.8394 0.026 Uiso 1 1 calc R . .
C13 C 0.7937(4) 0.5409(3) 0.7256(3) 0.0194(7) Uani 1 1 d . . .
C14 C 0.6264(4) 0.4842(3) 0.6870(3) 0.0198(7) Uani 1 1 d . . .
H14 H 0.6076 0.4274 0.6107 0.024 Uiso 1 1 calc R . .
C15 C 0.4867(4) 0.5308(3) 0.7381(3) 0.0195(7) Uani 1 1 d . . .
H15 H 0.3707 0.5055 0.6972 0.023 Uiso 1 1 calc R . .
C16 C 0.5038(4) 0.6370(3) 0.8297(3) 0.0199(7) Uani 1 1 d . . .
C17 C 0.9442(5) 0.4959(4) 0.6657(3) 0.0252(8) Uani 1 1 d . . .
H17A H 0.9295 0.5145 0.5840 0.038 Uiso 1 1 calc R . .
H17B H 0.9534 0.4020 0.6682 0.038 Uiso 1 1 calc R . .
H17C H 1.0479 0.5417 0.7058 0.038 Uiso 1 1 calc R . .
C18 C 0.3452(5) 0.6862(4) 0.8810(3) 0.0252(8) Uani 1 1 d . . .
H18 H 0.2528 0.6850 0.8148 0.030 Uiso 1 1 calc R . .
C19 C 0.2885(5) 0.5921(4) 0.9642(4) 0.0337(10) Uani 1 1 d . . .
H19A H 0.2702 0.5045 0.9223 0.051 Uiso 1 1 calc R . .
H19B H 0.1823 0.6204 0.9935 0.051 Uiso 1 1 calc R . .
H19C H 0.3767 0.5912 1.0302 0.051 Uiso 1 1 calc R . .
C20 C 0.3691(6) 0.8270(4) 0.9414(4) 0.0372(10) Uani 1 1 d . . .
H20A H 0.4468 0.8291 1.0135 0.056 Uiso 1 1 calc R . .
H20B H 0.2588 0.8585 0.9605 0.056 Uiso 1 1 calc R . .
H20C H 0.4170 0.8830 0.8886 0.056 Uiso 1 1 calc R . .


_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 C1 2.058(3) . ?
Ru1 N1 2.061(3) . ?
Ru1 C11 2.155(3) . ?
Ru1 C16 2.173(3) . ?
Ru1 C12 2.195(3) . ?
Ru1 C13 2.223(3) . ?
Ru1 C15 2.239(3) . ?
Ru1 C14 2.264(3) . ?
Ru1 Cl1 2.4259(10) . ?
N1 C7 1.335(4) . ?
N1 N2 1.361(4) . ?
N2 C9 1.348(4) . ?
N2 C2 1.424(4) . ?
C1 C6 1.392(5) . ?
C1 C2 1.404(5) . ?
C2 C3 1.386(5) . ?
C3 C4 1.384(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.395(5) . ?
C5 C10 1.505(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.393(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.374(5) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 F1B 1.260(8) . ?
C10 F3B 1.269(8) . ?
C10 F2B 1.306(2) . ?
C10 F1A 1.307(2) . ?
C10 F2A 1.325(2) . ?
C10 F3A 1.325(2) . ?
C11 C16 1.409(5) . ?
C11 C12 1.424(5) . ?
C11 H11 1.0000 . ?
C12 C13 1.401(5) . ?
C12 H12 1.0000 . ?
C13 C14 1.437(5) . ?
C13 C17 1.500(5) . ?
C14 C15 1.383(5) . ?
C14 H14 1.0000 . ?
C15 C16 1.434(5) . ?
C15 H15 1.0000 . ?
C16 C18 1.522(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.529(5) . ?
C18 C20 1.543(5) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ru1 N1 77.45(12) . . ?
C1 Ru1 C11 91.21(13) . . ?
N1 Ru1 C11 119.30(13) . . ?
C1 Ru1 C16 113.25(13) . . ?
N1 Ru1 C16 93.01(12) . . ?
C11 Ru1 C16 37.98(13) . . ?
C1 Ru1 C12 97.18(14) . . ?
N1 Ru1 C12 157.34(12) . . ?
C11 Ru1 C12 38.21(13) . . ?
C16 Ru1 C12 68.62(13) . . ?
C1 Ru1 C13 125.50(13) . . ?
N1 Ru1 C13 156.83(12) . . ?
C11 Ru1 C13 68.17(13) . . ?
C16 Ru1 C13 81.09(13) . . ?
C12 Ru1 C13 36.96(13) . . ?
C1 Ru1 C15 150.52(13) . . ?
N1 Ru1 C15 95.12(12) . . ?
C11 Ru1 C15 67.34(13) . . ?
C16 Ru1 C15 37.90(13) . . ?
C12 Ru1 C15 78.67(13) . . ?
C13 Ru1 C15 66.56(13) . . ?
C1 Ru1 C14 162.63(13) . . ?
N1 Ru1 C14 119.87(12) . . ?
C11 Ru1 C14 79.17(13) . . ?
C16 Ru1 C14 67.20(13) . . ?
C12 Ru1 C14 66.36(13) . . ?
C13 Ru1 C14 37.35(12) . . ?
C15 Ru1 C14 35.77(12) . . ?
C1 Ru1 Cl1 87.42(9) . . ?
N1 Ru1 Cl1 87.21(8) . . ?
C11 Ru1 Cl1 152.49(10) . . ?
C16 Ru1 Cl1 158.90(10) . . ?
C12 Ru1 Cl1 114.76(10) . . ?
C13 Ru1 Cl1 90.45(9) . . ?
C15 Ru1 Cl1 121.04(9) . . ?
C14 Ru1 Cl1 94.46(9) . . ?
C7 N1 N2 105.6(3) . . ?
C7 N1 Ru1 137.1(3) . . ?
N2 N1 Ru1 117.2(2) . . ?
C9 N2 N1 111.2(3) . . ?
C9 N2 C2 133.7(3) . . ?
N1 N2 C2 115.0(3) . . ?
C6 C1 C2 115.4(3) . . ?
C6 C1 Ru1 128.5(3) . . ?
C2 C1 Ru1 116.0(2) . . ?
C3 C2 C1 124.6(3) . . ?
C3 C2 N2 121.2(3) . . ?
C1 C2 N2 114.2(3) . . ?
C4 C3 C2 118.0(3) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 121.1(3) . . ?
C4 C5 C10 119.3(3) . . ?
C6 C5 C10 119.5(3) . . ?
C1 C6 C5 121.2(3) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
N1 C7 C8 110.4(3) . . ?
N1 C7 H7 124.8 . . ?
C8 C7 H7 124.8 . . ?
C9 C8 C7 105.9(3) . . ?
C9 C8 H8 127.0 . . ?
C7 C8 H8 127.0 . . ?
N2 C9 C8 106.9(3) . . ?
N2 C9 H9 126.5 . . ?
C8 C9 H9 126.5 . . ?
F1B C10 F3B 129.2(6) . . ?
F1B C10 F2B 112.5(7) . . ?
F3B C10 F1A 115.4(7) . . ?
F2B C10 F1A 126.2(6) . . ?
F1B C10 F2A 67.5(6) . . ?
F3B C10 F2A 98.4(6) . . ?
F2B C10 F2A 56.8(5) . . ?
F1A C10 F2A 98.1(6) . . ?
F1B C10 F3A 101.1(6) . . ?
F3B C10 F3A 60.9(5) . . ?
F2B C10 F3A 102.1(6) . . ?
F1A C10 F3A 69.4(6) . . ?
F2A C10 F3A 143.5(5) . . ?
F1B C10 C5 114.5(5) . . ?
F3B C10 C5 116.3(4) . . ?
F2B C10 C5 116.2(4) . . ?
F1A C10 C5 116.7(5) . . ?
F2A C10 C5 107.8(4) . . ?
F3A C10 C5 108.4(3) . . ?
C16 C11 C12 120.7(3) . . ?
C16 C11 Ru1 71.7(2) . . ?
C12 C11 Ru1 72.4(2) . . ?
C16 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
Ru1 C11 H11 119.2 . . ?
C13 C12 C11 120.6(3) . . ?
C13 C12 Ru1 72.6(2) . . ?
C11 C12 Ru1 69.4(2) . . ?
C13 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
Ru1 C12 H12 119.0 . . ?
C12 C13 C14 118.6(3) . . ?
C12 C13 C17 120.8(3) . . ?
C14 C13 C17 120.6(3) . . ?
C12 C13 Ru1 70.4(2) . . ?
C14 C13 Ru1 72.8(2) . . ?
C17 C13 Ru1 128.0(2) . . ?
C15 C14 C13 120.5(3) . . ?
C15 C14 Ru1 71.1(2) . . ?
C13 C14 Ru1 69.81(19) . . ?
C15 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
Ru1 C14 H14 118.9 . . ?
C14 C15 C16 121.3(3) . . ?
C14 C15 Ru1 73.1(2) . . ?
C16 C15 Ru1 68.57(19) . . ?
C14 C15 H15 118.4 . . ?
C16 C15 H15 118.4 . . ?
Ru1 C15 H15 118.4 . . ?
C11 C16 C15 118.0(3) . . ?
C11 C16 C18 122.8(3) . . ?
C15 C16 C18 119.1(3) . . ?
C11 C16 Ru1 70.31(19) . . ?
C15 C16 Ru1 73.53(19) . . ?
C18 C16 Ru1 129.0(2) . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 C19 109.2(3) . . ?
C16 C18 C20 113.2(3) . . ?
C19 C18 C20 111.6(3) . . ?
C16 C18 H18 107.5 . . ?
C19 C18 H18 107.5 . . ?
C20 C18 H18 107.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ru1 N1 C7 -177.1(4) . . . . ?
C11 Ru1 N1 C7 -92.8(4) . . . . ?
C16 Ru1 N1 C7 -63.9(4) . . . . ?
C12 Ru1 N1 C7 -98.7(4) . . . . ?
C13 Ru1 N1 C7 10.4(5) . . . . ?
C15 Ru1 N1 C7 -26.0(4) . . . . ?
C14 Ru1 N1 C7 1.4(4) . . . . ?
Cl1 Ru1 N1 C7 95.0(3) . . . . ?
C1 Ru1 N1 N2 -0.5(2) . . . . ?
C11 Ru1 N1 N2 83.8(3) . . . . ?
C16 Ru1 N1 N2 112.7(2) . . . . ?
C12 Ru1 N1 N2 77.9(4) . . . . ?
C13 Ru1 N1 N2 -173.0(3) . . . . ?
C15 Ru1 N1 N2 150.6(2) . . . . ?
C14 Ru1 N1 N2 178.0(2) . . . . ?
Cl1 Ru1 N1 N2 -88.4(2) . . . . ?
C7 N1 N2 C9 -0.6(4) . . . . ?
Ru1 N1 N2 C9 -178.2(2) . . . . ?
C7 N1 N2 C2 176.5(3) . . . . ?
Ru1 N1 N2 C2 -1.1(4) . . . . ?
N1 Ru1 C1 C6 179.3(3) . . . . ?
C11 Ru1 C1 C6 59.6(3) . . . . ?
C16 Ru1 C1 C6 91.5(3) . . . . ?
C12 Ru1 C1 C6 21.7(3) . . . . ?
C13 Ru1 C1 C6 -4.2(4) . . . . ?
C15 Ru1 C1 C6 101.4(4) . . . . ?
C14 Ru1 C1 C6 3.8(6) . . . . ?
Cl1 Ru1 C1 C6 -92.9(3) . . . . ?
N1 Ru1 C1 C2 2.0(2) . . . . ?
C11 Ru1 C1 C2 -117.8(3) . . . . ?
C16 Ru1 C1 C2 -85.9(3) . . . . ?
C12 Ru1 C1 C2 -155.7(3) . . . . ?
C13 Ru1 C1 C2 178.4(2) . . . . ?
C15 Ru1 C1 C2 -76.0(4) . . . . ?
C14 Ru1 C1 C2 -173.6(3) . . . . ?
Cl1 Ru1 C1 C2 89.7(2) . . . . ?
C6 C1 C2 C3 -2.1(5) . . . . ?
Ru1 C1 C2 C3 175.6(3) . . . . ?
C6 C1 C2 N2 179.1(3) . . . . ?
Ru1 C1 C2 N2 -3.1(4) . . . . ?
C9 N2 C2 C3 0.2(6) . . . . ?
N1 N2 C2 C3 -176.1(3) . . . . ?
C9 N2 C2 C1 179.0(3) . . . . ?
N1 N2 C2 C1 2.7(4) . . . . ?
C1 C2 C3 C4 0.5(5) . . . . ?
N2 C2 C3 C4 179.2(3) . . . . ?
C2 C3 C4 C5 1.1(5) . . . . ?
C3 C4 C5 C6 -0.9(5) . . . . ?
C3 C4 C5 C10 -178.8(3) . . . . ?
C2 C1 C6 C5 2.3(5) . . . . ?
Ru1 C1 C6 C5 -175.1(3) . . . . ?
C4 C5 C6 C1 -0.9(5) . . . . ?
C10 C5 C6 C1 177.0(3) . . . . ?
N2 N1 C7 C8 0.3(4) . . . . ?
Ru1 N1 C7 C8 177.2(3) . . . . ?
N1 C7 C8 C9 0.1(4) . . . . ?
N1 N2 C9 C8 0.7(4) . . . . ?
C2 N2 C9 C8 -175.7(3) . . . . ?
C7 C8 C9 N2 -0.5(4) . . . . ?
C4 C5 C10 F1B -1.9(7) . . . . ?
C6 C5 C10 F1B -179.8(6) . . . . ?
C4 C5 C10 F3B 176.0(7) . . . . ?
C6 C5 C10 F3B -1.9(8) . . . . ?
C4 C5 C10 F2B -135.8(7) . . . . ?
C6 C5 C10 F2B 46.3(8) . . . . ?
C4 C5 C10 F1A 34.4(7) . . . . ?
C6 C5 C10 F1A -143.5(6) . . . . ?
C4 C5 C10 F2A -74.7(6) . . . . ?
C6 C5 C10 F2A 107.4(6) . . . . ?
C4 C5 C10 F3A 110.1(6) . . . . ?
C6 C5 C10 F3A -67.9(6) . . . . ?
C1 Ru1 C11 C16 127.9(2) . . . . ?
N1 Ru1 C11 C16 51.6(2) . . . . ?
C12 Ru1 C11 C16 -132.0(3) . . . . ?
C13 Ru1 C11 C16 -104.0(2) . . . . ?
C15 Ru1 C11 C16 -31.3(2) . . . . ?
C14 Ru1 C11 C16 -66.7(2) . . . . ?
Cl1 Ru1 C11 C16 -145.36(19) . . . . ?
C1 Ru1 C11 C12 -100.1(2) . . . . ?
N1 Ru1 C11 C12 -176.35(19) . . . . ?
C16 Ru1 C11 C12 132.0(3) . . . . ?
C13 Ru1 C11 C12 28.0(2) . . . . ?
C15 Ru1 C11 C12 100.7(2) . . . . ?
C14 Ru1 C11 C12 65.4(2) . . . . ?
Cl1 Ru1 C11 C12 -13.3(3) . . . . ?
C16 C11 C12 C13 1.6(5) . . . . ?
Ru1 C11 C12 C13 -53.6(3) . . . . ?
C16 C11 C12 Ru1 55.1(3) . . . . ?
C1 Ru1 C12 C13 -143.7(2) . . . . ?
N1 Ru1 C12 C13 141.8(3) . . . . ?
C11 Ru1 C12 C13 133.5(3) . . . . ?
C16 Ru1 C12 C13 104.1(2) . . . . ?
C15 Ru1 C12 C13 65.9(2) . . . . ?
C14 Ru1 C12 C13 30.5(2) . . . . ?
Cl1 Ru1 C12 C13 -53.2(2) . . . . ?
C1 Ru1 C12 C11 82.8(2) . . . . ?
N1 Ru1 C12 C11 8.3(4) . . . . ?
C16 Ru1 C12 C11 -29.4(2) . . . . ?
C13 Ru1 C12 C11 -133.5(3) . . . . ?
C15 Ru1 C12 C11 -67.6(2) . . . . ?
C14 Ru1 C12 C11 -103.0(2) . . . . ?
Cl1 Ru1 C12 C11 173.26(17) . . . . ?
C11 C12 C13 C14 -4.5(5) . . . . ?
Ru1 C12 C13 C14 -56.6(3) . . . . ?
C11 C12 C13 C17 175.4(3) . . . . ?
Ru1 C12 C13 C17 123.3(3) . . . . ?
C11 C12 C13 Ru1 52.1(3) . . . . ?
C1 Ru1 C13 C12 46.2(3) . . . . ?
N1 Ru1 C13 C12 -142.7(3) . . . . ?
C11 Ru1 C13 C12 -28.9(2) . . . . ?
C16 Ru1 C13 C12 -66.1(2) . . . . ?
C15 Ru1 C13 C12 -102.7(2) . . . . ?
C14 Ru1 C13 C12 -129.9(3) . . . . ?
Cl1 Ru1 C13 C12 133.3(2) . . . . ?
C1 Ru1 C13 C14 176.08(19) . . . . ?
N1 Ru1 C13 C14 -12.8(4) . . . . ?
C11 Ru1 C13 C14 101.0(2) . . . . ?
C16 Ru1 C13 C14 63.8(2) . . . . ?
C12 Ru1 C13 C14 129.9(3) . . . . ?
C15 Ru1 C13 C14 27.2(2) . . . . ?
Cl1 Ru1 C13 C14 -96.76(19) . . . . ?
C1 Ru1 C13 C17 -68.1(3) . . . . ?
N1 Ru1 C13 C17 103.0(4) . . . . ?
C11 Ru1 C13 C17 -143.2(3) . . . . ?
C16 Ru1 C13 C17 179.6(3) . . . . ?
C12 Ru1 C13 C17 -114.3(4) . . . . ?
C15 Ru1 C13 C17 143.0(3) . . . . ?
C14 Ru1 C13 C17 115.8(4) . . . . ?
Cl1 Ru1 C13 C17 19.0(3) . . . . ?
C12 C13 C14 C15 3.4(5) . . . . ?
C17 C13 C14 C15 -176.5(3) . . . . ?
Ru1 C13 C14 C15 -52.0(3) . . . . ?
C12 C13 C14 Ru1 55.4(3) . . . . ?
C17 C13 C14 Ru1 -124.5(3) . . . . ?
C1 Ru1 C14 C15 123.4(4) . . . . ?
N1 Ru1 C14 C15 -51.6(2) . . . . ?
C11 Ru1 C14 C15 66.1(2) . . . . ?
C16 Ru1 C14 C15 28.3(2) . . . . ?
C12 Ru1 C14 C15 103.9(2) . . . . ?
C13 Ru1 C14 C15 134.2(3) . . . . ?
Cl1 Ru1 C14 C15 -140.9(2) . . . . ?
C1 Ru1 C14 C13 -10.7(5) . . . . ?
N1 Ru1 C14 C13 174.23(19) . . . . ?
C11 Ru1 C14 C13 -68.1(2) . . . . ?
C16 Ru1 C14 C13 -105.9(2) . . . . ?
C12 Ru1 C14 C13 -30.2(2) . . . . ?
C15 Ru1 C14 C13 -134.2(3) . . . . ?
Cl1 Ru1 C14 C13 84.89(19) . . . . ?
C13 C14 C15 C16 0.6(5) . . . . ?
Ru1 C14 C15 C16 -50.8(3) . . . . ?
C13 C14 C15 Ru1 51.4(3) . . . . ?
C1 Ru1 C15 C14 -149.6(3) . . . . ?
N1 Ru1 C15 C14 137.0(2) . . . . ?
C11 Ru1 C15 C14 -103.4(2) . . . . ?
C16 Ru1 C15 C14 -134.7(3) . . . . ?
C12 Ru1 C15 C14 -65.1(2) . . . . ?
C13 Ru1 C15 C14 -28.3(2) . . . . ?
Cl1 Ru1 C15 C14 47.2(2) . . . . ?
C1 Ru1 C15 C16 -14.9(4) . . . . ?
N1 Ru1 C15 C16 -88.3(2) . . . . ?
C11 Ru1 C15 C16 31.3(2) . . . . ?
C12 Ru1 C15 C16 69.6(2) . . . . ?
C13 Ru1 C15 C16 106.4(2) . . . . ?
C14 Ru1 C15 C16 134.7(3) . . . . ?
Cl1 Ru1 C15 C16 -178.15(17) . . . . ?
C12 C11 C16 C15 2.4(5) . . . . ?
Ru1 C11 C16 C15 57.9(3) . . . . ?
C12 C11 C16 C18 -179.8(3) . . . . ?
Ru1 C11 C16 C18 -124.3(3) . . . . ?
C12 C11 C16 Ru1 -55.5(3) . . . . ?
C14 C15 C16 C11 -3.5(5) . . . . ?
Ru1 C15 C16 C11 -56.3(3) . . . . ?
C14 C15 C16 C18 178.7(3) . . . . ?
Ru1 C15 C16 C18 125.9(3) . . . . ?
C14 C15 C16 Ru1 52.8(3) . . . . ?
C1 Ru1 C16 C11 -59.2(2) . . . . ?
N1 Ru1 C16 C11 -136.8(2) . . . . ?
C12 Ru1 C16 C11 29.6(2) . . . . ?
C13 Ru1 C16 C11 65.8(2) . . . . ?
C15 Ru1 C16 C11 128.7(3) . . . . ?
C14 Ru1 C16 C11 102.0(2) . . . . ?
Cl1 Ru1 C16 C11 133.2(2) . . . . ?
C1 Ru1 C16 C15 172.1(2) . . . . ?
N1 Ru1 C16 C15 94.5(2) . . . . ?
C11 Ru1 C16 C15 -128.7(3) . . . . ?
C12 Ru1 C16 C15 -99.2(2) . . . . ?
C13 Ru1 C16 C15 -63.0(2) . . . . ?
C14 Ru1 C16 C15 -26.8(2) . . . . ?
Cl1 Ru1 C16 C15 4.4(4) . . . . ?
C1 Ru1 C16 C18 57.7(4) . . . . ?
N1 Ru1 C16 C18 -20.0(3) . . . . ?
C11 Ru1 C16 C18 116.8(4) . . . . ?
C12 Ru1 C16 C18 146.4(4) . . . . ?
C13 Ru1 C16 C18 -177.4(3) . . . . ?
C15 Ru1 C16 C18 -114.4(4) . . . . ?
C14 Ru1 C16 C18 -141.2(4) . . . . ?
Cl1 Ru1 C16 C18 -110.0(3) . . . . ?
C11 C16 C18 C19 -100.8(4) . . . . ?
C15 C16 C18 C19 76.9(4) . . . . ?
Ru1 C16 C18 C19 168.8(3) . . . . ?
C11 C16 C18 C20 24.2(5) . . . . ?
C15 C16 C18 C20 -158.1(3) . . . . ?
Ru1 C16 C18 C20 -66.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         1.262
_refine_diff_density_min         -1.385
_refine_diff_density_rms         0.119
####################################################################### 
# 
# 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_17051
_database_code_depnum_ccdc_archive 'CCDC 1913192'
_audit_update_record             
;
2019-04-30 deposited with the CCDC.	2019-05-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H20 Cl F N2 Ru'
_chemical_formula_sum            'C19 H20 Cl F N2 Ru'
_chemical_formula_weight         431.89

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'
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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.227(3)
_cell_length_b                   7.9265(14)
_cell_length_c                   14.503(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.776(3)
_cell_angle_gamma                90.00
_cell_volume                     1732.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    868
_cell_measurement_theta_min      2.904
_cell_measurement_theta_max      20.226

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             872
_exptl_absorpt_coefficient_mu    1.071
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absorption correction based on 7137 reflections(SADABS);Rint 0.0600 before
correction and 0.0432 after.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14053
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.35
_diffrn_reflns_theta_max         26.99
_reflns_number_total             3780
_reflns_number_gt                3103
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0370P)²+0.0000P] 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         3780
_refine_ls_number_parameters     220
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.0814
_refine_ls_wR_factor_gt          0.0777
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_restrained_S_all      0.963
_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 0.214622(17) 0.04017(3) 0.209535(18) 0.01597(9) Uani 1 1 d . . .
Cl1 Cl 0.16601(5) -0.24827(10) 0.16775(6) 0.02406(19) Uani 1 1 d . . .
F1 F 0.43056(12) -0.1005(3) 0.31226(14) 0.0307(5) Uani 1 1 d . . .
N1 N 0.13537(17) 0.0385(3) 0.29327(19) 0.0185(6) Uani 1 1 d . . .
N2 N 0.17117(17) -0.0312(3) 0.38542(19) 0.0182(6) Uani 1 1 d . . .
C1 C 0.0526(2) 0.0801(4) 0.2812(2) 0.0217(7) Uani 1 1 d . . .
H1 H 0.0115 0.1325 0.2236 0.026 Uiso 1 1 calc R . .
C2 C 0.0347(2) 0.0360(4) 0.3651(3) 0.0247(8) Uani 1 1 d . . .
H2 H -0.0194 0.0516 0.3753 0.030 Uiso 1 1 calc R . .
C3 C 0.1118(2) -0.0349(4) 0.4300(2) 0.0221(7) Uani 1 1 d . . .
H3 H 0.1213 -0.0784 0.4941 0.027 Uiso 1 1 calc R . .
C4 C 0.2616(2) -0.0805(4) 0.4163(2) 0.0180(7) Uani 1 1 d . . .
C5 C 0.3063(2) -0.1417(4) 0.5119(2) 0.0223(7) Uani 1 1 d . . .
H5 H 0.2774 -0.1514 0.5579 0.027 Uiso 1 1 calc R . .
C6 C 0.3945(2) -0.1881(4) 0.5377(2) 0.0248(8) Uani 1 1 d . . .
H6 H 0.4271 -0.2295 0.6025 0.030 Uiso 1 1 calc R . .
C7 C 0.4350(2) -0.1740(4) 0.4693(2) 0.0232(7) Uani 1 1 d . . .
H7 H 0.4951 -0.2073 0.4860 0.028 Uiso 1 1 calc R . .
C8 C 0.3865(2) -0.1106(4) 0.3763(2) 0.0204(7) Uani 1 1 d . . .
C9 C 0.2992(2) -0.0589(4) 0.3444(2) 0.0170(7) Uani 1 1 d . . .
C10 C 0.2559(2) 0.0671(4) 0.0822(2) 0.0227(8) Uani 1 1 d . . .
H10 H 0.2732 -0.0358 0.0537 0.027 Uiso 1 1 calc R . .
C11 C 0.3191(2) 0.1455(4) 0.1651(2) 0.0208(7) Uani 1 1 d . . .
H11 H 0.3802 0.0968 0.1941 0.025 Uiso 1 1 calc R . .
C12 C 0.2926(2) 0.2686(4) 0.2210(2) 0.0197(7) Uani 1 1 d . . .
C13 C 0.2017(2) 0.3106(4) 0.1878(2) 0.0214(7) Uani 1 1 d . . .
H13 H 0.1796 0.3796 0.2316 0.026 Uiso 1 1 calc R . .
C14 C 0.1391(2) 0.2384(4) 0.0993(2) 0.0243(8) Uani 1 1 d . . .
H14 H 0.0744 0.2531 0.0855 0.029 Uiso 1 1 calc R . .
C15 C 0.1646(2) 0.1181(4) 0.0460(2) 0.0247(8) Uani 1 1 d . . .
C16 C 0.3625(2) 0.3462(4) 0.3123(2) 0.0210(7) Uani 1 1 d . . .
H16 H 0.4079 0.2573 0.3441 0.025 Uiso 1 1 calc R . .
C17 C 0.0990(3) 0.0328(5) -0.0444(2) 0.0345(9) Uani 1 1 d . . .
H17A H 0.0393 0.0760 -0.0568 0.052 Uiso 1 1 calc R . .
H17B H 0.1002 -0.0893 -0.0332 0.052 Uiso 1 1 calc R . .
H17C H 0.1149 0.0561 -0.1021 0.052 Uiso 1 1 calc R . .
C18 C 0.3261(2) 0.4060(5) 0.3893(2) 0.0294(8) Uani 1 1 d . . .
H18A H 0.2849 0.4997 0.3621 0.044 Uiso 1 1 calc R . .
H18B H 0.3752 0.4438 0.4489 0.044 Uiso 1 1 calc R . .
H18C H 0.2948 0.3129 0.4067 0.044 Uiso 1 1 calc R . .
C19 C 0.4091(3) 0.4893(4) 0.2803(3) 0.0300(8) Uani 1 1 d . . .
H19A H 0.4325 0.4470 0.2314 0.045 Uiso 1 1 calc R . .
H19B H 0.4580 0.5326 0.3383 0.045 Uiso 1 1 calc R . .
H19C H 0.3666 0.5803 0.2507 0.045 Uiso 1 1 calc R . .


_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 2.071(3) . ?
Ru1 C9 2.082(3) . ?
Ru1 C13 2.165(3) . ?
Ru1 C12 2.180(3) . ?
Ru1 C11 2.190(3) . ?
Ru1 C10 2.196(3) . ?
Ru1 C14 2.252(3) . ?
Ru1 C15 2.288(3) . ?
Ru1 Cl1 2.4212(9) . ?
F1 C8 1.369(4) . ?
N1 C1 1.329(4) . ?
N1 N2 1.361(3) . ?
N2 C3 1.345(4) . ?
N2 C4 1.421(4) . ?
C1 C2 1.398(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.376(5) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.392(4) . ?
C4 C9 1.400(4) . ?
C5 C6 1.388(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.383(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.379(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.379(4) . ?
C10 C11 1.403(4) . ?
C10 C15 1.434(5) . ?
C10 H10 1.0000 . ?
C11 C12 1.432(4) . ?
C11 H11 1.0000 . ?
C12 C13 1.412(4) . ?
C12 C16 1.518(4) . ?
C13 C14 1.428(4) . ?
C13 H13 1.0000 . ?
C14 C15 1.385(5) . ?
C14 H14 1.0000 . ?
C15 C17 1.508(4) . ?
C16 C18 1.521(4) . ?
C16 C19 1.527(4) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 C9 77.46(11) . . ?
N1 Ru1 C13 92.53(11) . . ?
C9 Ru1 C13 120.31(12) . . ?
N1 Ru1 C12 115.47(11) . . ?
C9 Ru1 C12 94.58(12) . . ?
C13 Ru1 C12 37.92(11) . . ?
N1 Ru1 C11 153.11(11) . . ?
C9 Ru1 C11 96.19(12) . . ?
C13 Ru1 C11 67.88(12) . . ?
C12 Ru1 C11 38.26(12) . . ?
N1 Ru1 C10 160.64(12) . . ?
C9 Ru1 C10 121.75(13) . . ?
C13 Ru1 C10 79.91(12) . . ?
C12 Ru1 C10 68.52(12) . . ?
C11 Ru1 C10 37.32(12) . . ?
N1 Ru1 C14 97.34(11) . . ?
C9 Ru1 C14 157.73(12) . . ?
C13 Ru1 C14 37.65(11) . . ?
C12 Ru1 C14 67.82(12) . . ?
C11 Ru1 C14 78.59(12) . . ?
C10 Ru1 C14 65.86(12) . . ?
N1 Ru1 C15 123.44(12) . . ?
C9 Ru1 C15 158.78(13) . . ?
C13 Ru1 C15 66.67(12) . . ?
C12 Ru1 C15 80.07(12) . . ?
C11 Ru1 C15 66.91(12) . . ?
C10 Ru1 C15 37.22(12) . . ?
C14 Ru1 C15 35.50(12) . . ?
N1 Ru1 Cl1 85.70(7) . . ?
C9 Ru1 Cl1 85.35(8) . . ?
C13 Ru1 Cl1 153.29(9) . . ?
C12 Ru1 Cl1 158.35(9) . . ?
C11 Ru1 Cl1 120.15(9) . . ?
C10 Ru1 Cl1 93.09(9) . . ?
C14 Ru1 Cl1 116.11(9) . . ?
C15 Ru1 Cl1 92.18(9) . . ?
C1 N1 N2 105.8(3) . . ?
C1 N1 Ru1 137.5(2) . . ?
N2 N1 Ru1 116.55(19) . . ?
C3 N2 N1 111.1(3) . . ?
C3 N2 C4 133.1(3) . . ?
N1 N2 C4 115.8(3) . . ?
N1 C1 C2 110.5(3) . . ?
N1 C1 H1 124.8 . . ?
C2 C1 H1 124.8 . . ?
C3 C2 C1 105.5(3) . . ?
C3 C2 H2 127.3 . . ?
C1 C2 H2 127.3 . . ?
N2 C3 C2 107.1(3) . . ?
N2 C3 H3 126.4 . . ?
C2 C3 H3 126.4 . . ?
C5 C4 C9 125.1(3) . . ?
C5 C4 N2 120.4(3) . . ?
C9 C4 N2 114.6(3) . . ?
C6 C5 C4 117.7(3) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
C7 C6 C5 120.1(3) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C8 C7 C6 118.7(3) . . ?
C8 C7 H7 120.7 . . ?
C6 C7 H7 120.7 . . ?
F1 C8 C9 119.0(3) . . ?
F1 C8 C7 115.6(3) . . ?
C9 C8 C7 125.4(3) . . ?
C8 C9 C4 113.0(3) . . ?
C8 C9 Ru1 131.6(2) . . ?
C4 C9 Ru1 115.4(2) . . ?
C11 C10 C15 121.1(3) . . ?
C11 C10 Ru1 71.12(18) . . ?
C15 C10 Ru1 74.90(19) . . ?
C11 C10 H10 119.2 . . ?
C15 C10 H10 119.2 . . ?
Ru1 C10 H10 119.2 . . ?
C10 C11 C12 120.6(3) . . ?
C10 C11 Ru1 71.56(18) . . ?
C12 C11 Ru1 70.49(18) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
Ru1 C11 H11 119.0 . . ?
C13 C12 C11 117.5(3) . . ?
C13 C12 C16 123.4(3) . . ?
C11 C12 C16 119.1(3) . . ?
C13 C12 Ru1 70.48(18) . . ?
C11 C12 Ru1 71.26(18) . . ?
C16 C12 Ru1 128.9(2) . . ?
C12 C13 C14 121.2(3) . . ?
C12 C13 Ru1 71.61(18) . . ?
C14 C13 Ru1 74.49(19) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
Ru1 C13 H13 119.2 . . ?
C15 C14 C13 121.1(3) . . ?
C15 C14 Ru1 73.67(19) . . ?
C13 C14 Ru1 67.86(17) . . ?
C15 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
Ru1 C14 H14 118.5 . . ?
C14 C15 C10 118.2(3) . . ?
C14 C15 C17 122.2(3) . . ?
C10 C15 C17 119.5(3) . . ?
C14 C15 Ru1 70.83(18) . . ?
C10 C15 Ru1 67.88(17) . . ?
C17 C15 Ru1 130.2(2) . . ?
C12 C16 C18 113.5(3) . . ?
C12 C16 C19 109.2(3) . . ?
C18 C16 C19 111.2(3) . . ?
C12 C16 H16 107.5 . . ?
C18 C16 H16 107.5 . . ?
C19 C16 H16 107.5 . . ?
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 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 Ru1 N1 C1 -179.4(3) . . . . ?
C13 Ru1 N1 C1 60.1(3) . . . . ?
C12 Ru1 N1 C1 91.5(3) . . . . ?
C11 Ru1 N1 C1 101.9(4) . . . . ?
C10 Ru1 N1 C1 -6.1(6) . . . . ?
C14 Ru1 N1 C1 22.6(3) . . . . ?
C15 Ru1 N1 C1 -3.4(4) . . . . ?
Cl1 Ru1 N1 C1 -93.2(3) . . . . ?
C9 Ru1 N1 N2 -4.1(2) . . . . ?
C13 Ru1 N1 N2 -124.6(2) . . . . ?
C12 Ru1 N1 N2 -93.2(2) . . . . ?
C11 Ru1 N1 N2 -82.9(3) . . . . ?
C10 Ru1 N1 N2 169.2(3) . . . . ?
C14 Ru1 N1 N2 -162.1(2) . . . . ?
C15 Ru1 N1 N2 171.85(19) . . . . ?
Cl1 Ru1 N1 N2 82.1(2) . . . . ?
C1 N1 N2 C3 0.7(3) . . . . ?
Ru1 N1 N2 C3 -176.0(2) . . . . ?
C1 N1 N2 C4 -177.8(3) . . . . ?
Ru1 N1 N2 C4 5.5(3) . . . . ?
N2 N1 C1 C2 -0.5(3) . . . . ?
Ru1 N1 C1 C2 175.0(2) . . . . ?
N1 C1 C2 C3 0.2(4) . . . . ?
N1 N2 C3 C2 -0.5(4) . . . . ?
C4 N2 C3 C2 177.6(3) . . . . ?
C1 C2 C3 N2 0.2(4) . . . . ?
C3 N2 C4 C5 -2.7(5) . . . . ?
N1 N2 C4 C5 175.4(3) . . . . ?
C3 N2 C4 C9 178.3(3) . . . . ?
N1 N2 C4 C9 -3.6(4) . . . . ?
C9 C4 C5 C6 -1.3(5) . . . . ?
N2 C4 C5 C6 179.9(3) . . . . ?
C4 C5 C6 C7 -0.5(5) . . . . ?
C5 C6 C7 C8 1.1(5) . . . . ?
C6 C7 C8 F1 -179.8(3) . . . . ?
C6 C7 C8 C9 0.0(5) . . . . ?
F1 C8 C9 C4 178.3(3) . . . . ?
C7 C8 C9 C4 -1.5(5) . . . . ?
F1 C8 C9 Ru1 -0.5(5) . . . . ?
C7 C8 C9 Ru1 179.7(2) . . . . ?
C5 C4 C9 C8 2.2(5) . . . . ?
N2 C4 C9 C8 -179.0(3) . . . . ?
C5 C4 C9 Ru1 -178.8(2) . . . . ?
N2 C4 C9 Ru1 0.1(3) . . . . ?
N1 Ru1 C9 C8 -179.1(3) . . . . ?
C13 Ru1 C9 C8 -93.6(3) . . . . ?
C12 Ru1 C9 C8 -64.0(3) . . . . ?
C11 Ru1 C9 C8 -25.6(3) . . . . ?
C10 Ru1 C9 C8 3.5(4) . . . . ?
C14 Ru1 C9 C8 -100.5(4) . . . . ?
C15 Ru1 C9 C8 10.2(5) . . . . ?
Cl1 Ru1 C9 C8 94.3(3) . . . . ?
N1 Ru1 C9 C4 2.1(2) . . . . ?
C13 Ru1 C9 C4 87.6(2) . . . . ?
C12 Ru1 C9 C4 117.2(2) . . . . ?
C11 Ru1 C9 C4 155.6(2) . . . . ?
C10 Ru1 C9 C4 -175.3(2) . . . . ?
C14 Ru1 C9 C4 80.7(4) . . . . ?
C15 Ru1 C9 C4 -168.6(3) . . . . ?
Cl1 Ru1 C9 C4 -84.5(2) . . . . ?
N1 Ru1 C10 C11 134.8(3) . . . . ?
C9 Ru1 C10 C11 -52.9(2) . . . . ?
C13 Ru1 C10 C11 66.6(2) . . . . ?
C12 Ru1 C10 C11 28.87(19) . . . . ?
C14 Ru1 C10 C11 103.3(2) . . . . ?
C15 Ru1 C10 C11 131.1(3) . . . . ?
Cl1 Ru1 C10 C11 -139.37(18) . . . . ?
N1 Ru1 C10 C15 3.7(4) . . . . ?
C9 Ru1 C10 C15 175.99(18) . . . . ?
C13 Ru1 C10 C15 -64.50(19) . . . . ?
C12 Ru1 C10 C15 -102.2(2) . . . . ?
C11 Ru1 C10 C15 -131.1(3) . . . . ?
C14 Ru1 C10 C15 -27.77(18) . . . . ?
Cl1 Ru1 C10 C15 89.54(18) . . . . ?
C15 C10 C11 C12 5.5(5) . . . . ?
Ru1 C10 C11 C12 -52.7(3) . . . . ?
C15 C10 C11 Ru1 58.2(3) . . . . ?
N1 Ru1 C11 C10 -148.6(2) . . . . ?
C9 Ru1 C11 C10 136.97(19) . . . . ?
C13 Ru1 C11 C10 -102.8(2) . . . . ?
C12 Ru1 C11 C10 -133.5(3) . . . . ?
C14 Ru1 C11 C10 -64.9(2) . . . . ?
C15 Ru1 C11 C10 -29.71(19) . . . . ?
Cl1 Ru1 C11 C10 48.8(2) . . . . ?
N1 Ru1 C11 C12 -15.2(3) . . . . ?
C9 Ru1 C11 C12 -89.56(19) . . . . ?
C13 Ru1 C11 C12 30.70(18) . . . . ?
C10 Ru1 C11 C12 133.5(3) . . . . ?
C14 Ru1 C11 C12 68.53(19) . . . . ?
C15 Ru1 C11 C12 103.8(2) . . . . ?
Cl1 Ru1 C11 C12 -177.77(15) . . . . ?
C10 C11 C12 C13 -1.8(4) . . . . ?
Ru1 C11 C12 C13 -54.9(2) . . . . ?
C10 C11 C12 C16 177.9(3) . . . . ?
Ru1 C11 C12 C16 124.8(3) . . . . ?
C10 C11 C12 Ru1 53.1(3) . . . . ?
N1 Ru1 C12 C13 -57.9(2) . . . . ?
C9 Ru1 C12 C13 -136.14(19) . . . . ?
C11 Ru1 C12 C13 129.7(3) . . . . ?
C10 Ru1 C12 C13 101.5(2) . . . . ?
C14 Ru1 C12 C13 29.77(18) . . . . ?
C15 Ru1 C12 C13 64.57(19) . . . . ?
Cl1 Ru1 C12 C13 134.9(2) . . . . ?
N1 Ru1 C12 C11 172.47(17) . . . . ?
C9 Ru1 C12 C11 94.2(2) . . . . ?
C13 Ru1 C12 C11 -129.7(3) . . . . ?
C10 Ru1 C12 C11 -28.22(18) . . . . ?
C14 Ru1 C12 C11 -99.9(2) . . . . ?
C15 Ru1 C12 C11 -65.1(2) . . . . ?
Cl1 Ru1 C12 C11 5.2(4) . . . . ?
N1 Ru1 C12 C16 59.8(3) . . . . ?
C9 Ru1 C12 C16 -18.5(3) . . . . ?
C13 Ru1 C12 C16 117.7(4) . . . . ?
C11 Ru1 C12 C16 -112.6(4) . . . . ?
C10 Ru1 C12 C16 -140.9(3) . . . . ?
C14 Ru1 C12 C16 147.4(3) . . . . ?
C15 Ru1 C12 C16 -177.8(3) . . . . ?
Cl1 Ru1 C12 C16 -107.4(3) . . . . ?
C11 C12 C13 C14 -2.7(4) . . . . ?
C16 C12 C13 C14 177.7(3) . . . . ?
Ru1 C12 C13 C14 -58.0(3) . . . . ?
C11 C12 C13 Ru1 55.3(2) . . . . ?
C16 C12 C13 Ru1 -124.3(3) . . . . ?
N1 Ru1 C13 C12 130.08(19) . . . . ?
C9 Ru1 C13 C12 53.1(2) . . . . ?
C11 Ru1 C13 C12 -30.96(18) . . . . ?
C10 Ru1 C13 C12 -67.87(19) . . . . ?
C14 Ru1 C13 C12 -131.2(3) . . . . ?
C15 Ru1 C13 C12 -104.4(2) . . . . ?
Cl1 Ru1 C13 C12 -144.45(18) . . . . ?
N1 Ru1 C13 C14 -98.8(2) . . . . ?
C9 Ru1 C13 C14 -175.70(19) . . . . ?
C12 Ru1 C13 C14 131.2(3) . . . . ?
C11 Ru1 C13 C14 100.2(2) . . . . ?
C10 Ru1 C13 C14 63.3(2) . . . . ?
C15 Ru1 C13 C14 26.82(19) . . . . ?
Cl1 Ru1 C13 C14 -13.3(3) . . . . ?
C12 C13 C14 C15 3.5(5) . . . . ?
Ru1 C13 C14 C15 -53.1(3) . . . . ?
C12 C13 C14 Ru1 56.6(3) . . . . ?
N1 Ru1 C14 C15 -140.9(2) . . . . ?
C9 Ru1 C14 C15 144.3(3) . . . . ?
C13 Ru1 C14 C15 134.5(3) . . . . ?
C12 Ru1 C14 C15 104.5(2) . . . . ?
C11 Ru1 C14 C15 66.0(2) . . . . ?
C10 Ru1 C14 C15 29.0(2) . . . . ?
Cl1 Ru1 C14 C15 -52.1(2) . . . . ?
N1 Ru1 C14 C13 84.6(2) . . . . ?
C9 Ru1 C14 C13 9.8(4) . . . . ?
C12 Ru1 C14 C13 -29.97(18) . . . . ?
C11 Ru1 C14 C13 -68.5(2) . . . . ?
C10 Ru1 C14 C13 -105.5(2) . . . . ?
C15 Ru1 C14 C13 -134.5(3) . . . . ?
Cl1 Ru1 C14 C13 173.40(16) . . . . ?
C13 C14 C15 C10 0.2(5) . . . . ?
Ru1 C14 C15 C10 -50.3(3) . . . . ?
C13 C14 C15 C17 176.5(3) . . . . ?
Ru1 C14 C15 C17 126.0(3) . . . . ?
C13 C14 C15 Ru1 50.5(3) . . . . ?
C11 C10 C15 C14 -4.7(5) . . . . ?
Ru1 C10 C15 C14 51.7(3) . . . . ?
C11 C10 C15 C17 178.9(3) . . . . ?
Ru1 C10 C15 C17 -124.7(3) . . . . ?
C11 C10 C15 Ru1 -56.4(3) . . . . ?
N1 Ru1 C15 C14 48.5(2) . . . . ?
C9 Ru1 C15 C14 -142.4(3) . . . . ?
C13 Ru1 C15 C14 -28.3(2) . . . . ?
C12 Ru1 C15 C14 -65.5(2) . . . . ?
C11 Ru1 C15 C14 -103.1(2) . . . . ?
C10 Ru1 C15 C14 -132.9(3) . . . . ?
Cl1 Ru1 C15 C14 134.83(19) . . . . ?
N1 Ru1 C15 C10 -178.53(17) . . . . ?
C9 Ru1 C15 C10 -9.5(4) . . . . ?
C13 Ru1 C15 C10 104.6(2) . . . . ?
C12 Ru1 C15 C10 67.42(19) . . . . ?
C11 Ru1 C15 C10 29.79(18) . . . . ?
C14 Ru1 C15 C10 132.9(3) . . . . ?
Cl1 Ru1 C15 C10 -92.24(18) . . . . ?
N1 Ru1 C15 C17 -67.9(4) . . . . ?
C9 Ru1 C15 C17 101.2(4) . . . . ?
C13 Ru1 C15 C17 -144.8(4) . . . . ?
C12 Ru1 C15 C17 178.0(3) . . . . ?
C11 Ru1 C15 C17 140.4(4) . . . . ?
C10 Ru1 C15 C17 110.6(4) . . . . ?
C14 Ru1 C15 C17 -116.4(4) . . . . ?
Cl1 Ru1 C15 C17 18.4(3) . . . . ?
C13 C12 C16 C18 26.6(4) . . . . ?
C11 C12 C16 C18 -153.0(3) . . . . ?
Ru1 C12 C16 C18 -64.4(4) . . . . ?
C13 C12 C16 C19 -98.1(4) . . . . ?
C11 C12 C16 C19 82.2(4) . . . . ?
Ru1 C12 C16 C19 170.8(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.99
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.859
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.116





####################################################################### 
# 
# 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_17063
_database_code_depnum_ccdc_archive 'CCDC 1913191'
_audit_update_record             
;
2019-04-30 deposited with the CCDC.	2019-05-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H20 Cl N3 O2 Ru'
_chemical_formula_sum            'C19 H20 Cl N3 O2 Ru'
_chemical_formula_weight         458.90

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                   7.846(4)
_cell_length_b                   10.387(5)
_cell_length_c                   11.278(5)
_cell_angle_alpha                98.230(10)
_cell_angle_beta                 96.173(9)
_cell_angle_gamma                91.436(10)
_cell_volume                     903.7(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    741
_cell_measurement_theta_min      2.497
_cell_measurement_theta_max      28.262

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             464
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_T_max  0.831
_exptl_absorpt_process_details   
;
absoprtion correction based on 2310 reflections(SADABS);Rint 0.0938 before
correction and 0.0563 after.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7102
_diffrn_reflns_av_R_equivalents  0.1142
_diffrn_reflns_av_sigmaI/netI    0.1734
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.84
_diffrn_reflns_theta_max         26.00
_reflns_number_total             3501
_reflns_number_gt                2347
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0429P)²+0.0000P] 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         3501
_refine_ls_number_parameters     238
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1077
_refine_ls_R_factor_gt           0.0700
_refine_ls_wR_factor_ref         0.1415
_refine_ls_wR_factor_gt          0.1286
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_restrained_S_all      0.935
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.62848(8) 0.70981(6) 0.69209(6) 0.0179(2) Uani 1 1 d . . .
Cl1 Cl 0.7231(2) 0.70011(19) 0.49281(16) 0.0241(5) Uani 1 1 d . . .
O1 O 1.1703(8) 1.0832(6) 0.8632(6) 0.0464(18) Uani 1 1 d . . .
O2 O 1.0802(7) 1.2731(6) 0.8468(6) 0.0487(18) Uani 1 1 d . . .
N1 N 0.4111(7) 0.7968(6) 0.6259(5) 0.0202(15) Uani 1 1 d . . .
N2 N 0.4202(8) 0.9281(6) 0.6316(5) 0.0209(15) Uani 1 1 d . . .
N3 N 1.0555(9) 1.1537(7) 0.8337(6) 0.0281(16) Uani 1 1 d . . .
C1 C 0.2512(9) 0.7583(7) 0.5803(6) 0.0197(17) Uani 1 1 d . . .
H1 H 0.2072 0.6708 0.5661 0.024 Uiso 1 1 calc R . .
C2 C 0.1571(10) 0.8679(8) 0.5564(7) 0.0269(19) Uani 1 1 d . . .
H2 H 0.0407 0.8683 0.5229 0.032 Uiso 1 1 calc R . .
C3 C 0.2686(9) 0.9732(8) 0.5916(6) 0.0251(19) Uani 1 1 d . . .
H3 H 0.2436 1.0617 0.5884 0.030 Uiso 1 1 calc R . .
C4 C 0.5795(9) 0.9896(7) 0.6833(6) 0.0203(17) Uani 1 1 d . . .
C5 C 0.6046(9) 1.1243(8) 0.6939(7) 0.0234(18) Uani 1 1 d . . .
H5 H 0.5161 1.1771 0.6662 0.028 Uiso 1 1 calc R . .
C6 C 0.7622(10) 1.1784(7) 0.7460(7) 0.0231(18) Uani 1 1 d . . .
H6 H 0.7826 1.2701 0.7584 0.028 Uiso 1 1 calc R . .
C7 C 0.8898(9) 1.0974(7) 0.7798(6) 0.0212(18) Uani 1 1 d . . .
C8 C 0.8641(9) 0.9627(8) 0.7669(6) 0.0215(18) Uani 1 1 d . . .
H8 H 0.9556 0.9103 0.7908 0.026 Uiso 1 1 calc R . .
C9 C 0.7039(9) 0.9040(7) 0.7187(6) 0.0178(17) Uani 1 1 d . . .
C10 C 0.6286(9) 0.4917(7) 0.6893(7) 0.0214(18) Uani 1 1 d . . .
H10 H 0.6092 0.4337 0.6099 0.026 Uiso 1 1 calc R . .
C11 C 0.4875(9) 0.5380(7) 0.7438(7) 0.0204(17) Uani 1 1 d . . .
H11 H 0.3706 0.5122 0.7012 0.025 Uiso 1 1 calc R . .
C12 C 0.5037(9) 0.6462(7) 0.8401(7) 0.0199(17) Uani 1 1 d . . .
C13 C 0.6690(10) 0.6977(7) 0.8837(6) 0.0224(18) Uani 1 1 d . . .
H13 H 0.6827 0.7798 0.9428 0.027 Uiso 1 1 calc R . .
C14 C 0.8157(9) 0.6478(7) 0.8292(7) 0.0239(19) Uani 1 1 d . . .
H14 H 0.9279 0.6979 0.8505 0.029 Uiso 1 1 calc R . .
C15 C 0.7985(9) 0.5495(7) 0.7298(7) 0.0221(18) Uani 1 1 d . . .
C16 C 0.3436(10) 0.6960(8) 0.8920(7) 0.0244(19) Uani 1 1 d . . .
H16 H 0.2511 0.6939 0.8234 0.029 Uiso 1 1 calc R . .
C17 C 0.9501(10) 0.5022(8) 0.6680(7) 0.0272(19) Uani 1 1 d . . .
H17A H 0.9306 0.5120 0.5825 0.041 Uiso 1 1 calc R . .
H17B H 0.9654 0.4103 0.6755 0.041 Uiso 1 1 calc R . .
H17C H 1.0534 0.5536 0.7056 0.041 Uiso 1 1 calc R . .
C18 C 0.3657(11) 0.8357(8) 0.9562(7) 0.035(2) Uani 1 1 d . . .
H18A H 0.4513 0.8400 1.0269 0.052 Uiso 1 1 calc R . .
H18B H 0.2559 0.8646 0.9821 0.052 Uiso 1 1 calc R . .
H18C H 0.4043 0.8922 0.9011 0.052 Uiso 1 1 calc R . .
C19 C 0.2858(10) 0.6034(8) 0.9750(7) 0.0275(19) Uani 1 1 d . . .
H19A H 0.2665 0.5155 0.9299 0.041 Uiso 1 1 calc R . .
H19B H 0.1790 0.6329 1.0056 0.041 Uiso 1 1 calc R . .
H19C H 0.3748 0.6025 1.0429 0.041 Uiso 1 1 calc R . .


_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 C9 2.058(8) . ?
Ru1 N1 2.068(6) . ?
Ru1 C13 2.172(7) . ?
Ru1 C14 2.193(7) . ?
Ru1 C12 2.194(7) . ?
Ru1 C15 2.220(7) . ?
Ru1 C11 2.255(7) . ?
Ru1 C10 2.261(7) . ?
Ru1 Cl1 2.431(2) . ?
O1 N3 1.223(8) . ?
O2 N3 1.236(8) . ?
N1 C1 1.332(8) . ?
N1 N2 1.356(8) . ?
N2 C3 1.346(9) . ?
N2 C4 1.417(9) . ?
N3 C7 1.446(9) . ?
C1 C2 1.414(10) . ?
C1 H1 0.9500 . ?
C2 C3 1.368(11) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.394(10) . ?
C4 C9 1.401(10) . ?
C5 C6 1.380(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.381(10) . ?
C6 H6 0.9500 . ?
C7 C8 1.393(10) . ?
C8 C9 1.403(9) . ?
C8 H8 0.9500 . ?
C10 C11 1.386(9) . ?
C10 C15 1.448(10) . ?
C10 H10 1.0000 . ?
C11 C12 1.439(10) . ?
C11 H11 1.0000 . ?
C12 C13 1.401(10) . ?
C12 C16 1.514(10) . ?
C13 C14 1.436(10) . ?
C13 H13 1.0000 . ?
C14 C15 1.397(10) . ?
C14 H14 1.0000 . ?
C15 C17 1.501(10) . ?
C16 C18 1.523(11) . ?
C16 C19 1.528(10) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C9 Ru1 N1 77.2(3) . . ?
C9 Ru1 C13 92.5(3) . . ?
N1 Ru1 C13 118.6(3) . . ?
C9 Ru1 C14 97.6(3) . . ?
N1 Ru1 C14 156.8(3) . . ?
C13 Ru1 C14 38.4(3) . . ?
C9 Ru1 C12 114.6(3) . . ?
N1 Ru1 C12 93.0(2) . . ?
C13 Ru1 C12 37.4(3) . . ?
C14 Ru1 C12 68.3(3) . . ?
C9 Ru1 C15 124.8(3) . . ?
N1 Ru1 C15 157.7(3) . . ?
C13 Ru1 C15 68.5(3) . . ?
C14 Ru1 C15 36.9(3) . . ?
C12 Ru1 C15 81.4(3) . . ?
C9 Ru1 C11 151.7(3) . . ?
N1 Ru1 C11 95.7(2) . . ?
C13 Ru1 C11 66.6(3) . . ?
C14 Ru1 C11 78.1(3) . . ?
C12 Ru1 C11 37.7(3) . . ?
C15 Ru1 C11 66.8(3) . . ?
C9 Ru1 C10 162.4(3) . . ?
N1 Ru1 C10 120.4(3) . . ?
C13 Ru1 C10 79.0(3) . . ?
C14 Ru1 C10 66.2(3) . . ?
C12 Ru1 C10 67.2(3) . . ?
C15 Ru1 C10 37.7(3) . . ?
C11 Ru1 C10 35.8(2) . . ?
C9 Ru1 Cl1 86.6(2) . . ?
N1 Ru1 Cl1 87.43(17) . . ?
C13 Ru1 Cl1 153.1(2) . . ?
C14 Ru1 Cl1 115.1(2) . . ?
C12 Ru1 Cl1 158.4(2) . . ?
C15 Ru1 Cl1 90.1(2) . . ?
C11 Ru1 Cl1 120.7(2) . . ?
C10 Ru1 Cl1 94.0(2) . . ?
C1 N1 N2 106.3(6) . . ?
C1 N1 Ru1 136.6(5) . . ?
N2 N1 Ru1 117.0(4) . . ?
C3 N2 N1 111.2(6) . . ?
C3 N2 C4 133.4(7) . . ?
N1 N2 C4 115.3(6) . . ?
O1 N3 O2 120.8(7) . . ?
O1 N3 C7 120.1(7) . . ?
O2 N3 C7 119.1(7) . . ?
N1 C1 C2 109.6(7) . . ?
N1 C1 H1 125.2 . . ?
C2 C1 H1 125.2 . . ?
C3 C2 C1 105.6(7) . . ?
C3 C2 H2 127.2 . . ?
C1 C2 H2 127.2 . . ?
N2 C3 C2 107.3(7) . . ?
N2 C3 H3 126.3 . . ?
C2 C3 H3 126.3 . . ?
C5 C4 C9 125.0(7) . . ?
C5 C4 N2 120.6(7) . . ?
C9 C4 N2 114.4(7) . . ?
C6 C5 C4 117.8(7) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
C5 C6 C7 119.1(7) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
C6 C7 C8 122.5(7) . . ?
C6 C7 N3 119.3(7) . . ?
C8 C7 N3 118.2(7) . . ?
C7 C8 C9 120.3(7) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C4 C9 C8 115.2(7) . . ?
C4 C9 Ru1 116.0(5) . . ?
C8 C9 Ru1 128.7(5) . . ?
C11 C10 C15 120.6(7) . . ?
C11 C10 Ru1 71.9(4) . . ?
C15 C10 Ru1 69.6(4) . . ?
C11 C10 H10 118.9 . . ?
C15 C10 H10 118.9 . . ?
Ru1 C10 H10 118.9 . . ?
C10 C11 C12 121.6(7) . . ?
C10 C11 Ru1 72.4(4) . . ?
C12 C11 Ru1 68.9(4) . . ?
C10 C11 H11 118.2 . . ?
C12 C11 H11 118.2 . . ?
Ru1 C11 H11 118.2 . . ?
C13 C12 C11 117.8(7) . . ?
C13 C12 C16 123.2(7) . . ?
C11 C12 C16 119.0(6) . . ?
C13 C12 Ru1 70.4(4) . . ?
C11 C12 Ru1 73.4(4) . . ?
C16 C12 Ru1 128.7(5) . . ?
C12 C13 C14 120.6(7) . . ?
C12 C13 Ru1 72.2(4) . . ?
C14 C13 Ru1 71.6(4) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
Ru1 C13 H13 119.3 . . ?
C15 C14 C13 121.5(7) . . ?
C15 C14 Ru1 72.6(4) . . ?
C13 C14 Ru1 70.0(4) . . ?
C15 C14 H14 118.5 . . ?
C13 C14 H14 118.5 . . ?
Ru1 C14 H14 118.5 . . ?
C14 C15 C10 117.6(7) . . ?
C14 C15 C17 121.8(7) . . ?
C10 C15 C17 120.6(7) . . ?
C14 C15 Ru1 70.5(4) . . ?
C10 C15 Ru1 72.7(4) . . ?
C17 C15 Ru1 128.7(5) . . ?
C12 C16 C18 113.3(7) . . ?
C12 C16 C19 109.3(6) . . ?
C18 C16 C19 111.5(6) . . ?
C12 C16 H16 107.5 . . ?
C18 C16 H16 107.5 . . ?
C19 C16 H16 107.5 . . ?
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 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 Ru1 N1 C1 -176.8(8) . . . . ?
C13 Ru1 N1 C1 -91.0(7) . . . . ?
C14 Ru1 N1 C1 -97.5(9) . . . . ?
C12 Ru1 N1 C1 -62.3(7) . . . . ?
C15 Ru1 N1 C1 12.2(11) . . . . ?
C11 Ru1 N1 C1 -24.6(7) . . . . ?
C10 Ru1 N1 C1 2.9(8) . . . . ?
Cl1 Ru1 N1 C1 96.1(7) . . . . ?
C9 Ru1 N1 N2 -0.3(5) . . . . ?
C13 Ru1 N1 N2 85.5(5) . . . . ?
C14 Ru1 N1 N2 79.0(8) . . . . ?
C12 Ru1 N1 N2 114.2(5) . . . . ?
C15 Ru1 N1 N2 -171.3(6) . . . . ?
C11 Ru1 N1 N2 151.9(5) . . . . ?
C10 Ru1 N1 N2 179.4(4) . . . . ?
Cl1 Ru1 N1 N2 -87.4(5) . . . . ?
C1 N1 N2 C3 0.6(8) . . . . ?
Ru1 N1 N2 C3 -176.9(5) . . . . ?
C1 N1 N2 C4 177.3(6) . . . . ?
Ru1 N1 N2 C4 -0.2(7) . . . . ?
N2 N1 C1 C2 0.1(8) . . . . ?
Ru1 N1 C1 C2 176.9(5) . . . . ?
N1 C1 C2 C3 -0.8(8) . . . . ?
N1 N2 C3 C2 -1.1(8) . . . . ?
C4 N2 C3 C2 -176.9(7) . . . . ?
C1 C2 C3 N2 1.1(8) . . . . ?
C3 N2 C4 C5 -4.4(12) . . . . ?
N1 N2 C4 C5 179.9(6) . . . . ?
C3 N2 C4 C9 176.6(7) . . . . ?
N1 N2 C4 C9 1.0(9) . . . . ?
C9 C4 C5 C6 -1.7(11) . . . . ?
N2 C4 C5 C6 179.4(7) . . . . ?
C4 C5 C6 C7 3.0(11) . . . . ?
C5 C6 C7 C8 -2.1(11) . . . . ?
C5 C6 C7 N3 179.6(7) . . . . ?
O1 N3 C7 C6 -179.4(7) . . . . ?
O2 N3 C7 C6 -1.0(11) . . . . ?
O1 N3 C7 C8 2.2(11) . . . . ?
O2 N3 C7 C8 -179.4(7) . . . . ?
C6 C7 C8 C9 -0.4(11) . . . . ?
N3 C7 C8 C9 177.9(6) . . . . ?
C5 C4 C9 C8 -0.7(11) . . . . ?
N2 C4 C9 C8 178.2(6) . . . . ?
C5 C4 C9 Ru1 179.8(6) . . . . ?
N2 C4 C9 Ru1 -1.3(8) . . . . ?
C7 C8 C9 C4 1.7(10) . . . . ?
C7 C8 C9 Ru1 -178.9(5) . . . . ?
N1 Ru1 C9 C4 0.9(5) . . . . ?
C13 Ru1 C9 C4 -117.9(6) . . . . ?
C14 Ru1 C9 C4 -156.1(5) . . . . ?
C12 Ru1 C9 C4 -86.6(6) . . . . ?
C15 Ru1 C9 C4 176.7(5) . . . . ?
C11 Ru1 C9 C4 -77.1(8) . . . . ?
C10 Ru1 C9 C4 -178.4(8) . . . . ?
Cl1 Ru1 C9 C4 89.0(5) . . . . ?
N1 Ru1 C9 C8 -178.5(7) . . . . ?
C13 Ru1 C9 C8 62.7(7) . . . . ?
C14 Ru1 C9 C8 24.5(7) . . . . ?
C12 Ru1 C9 C8 94.0(7) . . . . ?
C15 Ru1 C9 C8 -2.7(8) . . . . ?
C11 Ru1 C9 C8 103.5(8) . . . . ?
C10 Ru1 C9 C8 2.2(14) . . . . ?
Cl1 Ru1 C9 C8 -90.4(6) . . . . ?
C9 Ru1 C10 C11 127.4(9) . . . . ?
N1 Ru1 C10 C11 -51.8(5) . . . . ?
C13 Ru1 C10 C11 65.0(5) . . . . ?
C14 Ru1 C10 C11 103.2(5) . . . . ?
C12 Ru1 C10 C11 27.8(4) . . . . ?
C15 Ru1 C10 C11 133.9(7) . . . . ?
Cl1 Ru1 C10 C11 -141.2(4) . . . . ?
C9 Ru1 C10 C15 -6.5(11) . . . . ?
N1 Ru1 C10 C15 174.3(4) . . . . ?
C13 Ru1 C10 C15 -68.9(5) . . . . ?
C14 Ru1 C10 C15 -30.8(4) . . . . ?
C12 Ru1 C10 C15 -106.2(5) . . . . ?
C11 Ru1 C10 C15 -133.9(7) . . . . ?
Cl1 Ru1 C10 C15 84.9(4) . . . . ?
C15 C10 C11 C12 1.4(11) . . . . ?
Ru1 C10 C11 C12 -50.3(6) . . . . ?
C15 C10 C11 Ru1 51.7(6) . . . . ?
C9 Ru1 C11 C10 -149.5(5) . . . . ?
N1 Ru1 C11 C10 137.0(4) . . . . ?
C13 Ru1 C11 C10 -104.2(5) . . . . ?
C14 Ru1 C11 C10 -65.6(5) . . . . ?
C12 Ru1 C11 C10 -135.4(6) . . . . ?
C15 Ru1 C11 C10 -28.6(4) . . . . ?
Cl1 Ru1 C11 C10 46.7(5) . . . . ?
C9 Ru1 C11 C12 -14.1(8) . . . . ?
N1 Ru1 C11 C12 -87.6(4) . . . . ?
C13 Ru1 C11 C12 31.2(4) . . . . ?
C14 Ru1 C11 C12 69.8(4) . . . . ?
C15 Ru1 C11 C12 106.7(5) . . . . ?
C10 Ru1 C11 C12 135.4(6) . . . . ?
Cl1 Ru1 C11 C12 -177.9(3) . . . . ?
C10 C11 C12 C13 -4.7(11) . . . . ?
Ru1 C11 C12 C13 -56.5(6) . . . . ?
C10 C11 C12 C16 177.3(7) . . . . ?
Ru1 C11 C12 C16 125.5(7) . . . . ?
C10 C11 C12 Ru1 51.8(7) . . . . ?
C9 Ru1 C12 C13 -58.8(5) . . . . ?
N1 Ru1 C12 C13 -136.1(5) . . . . ?
C14 Ru1 C12 C13 29.8(4) . . . . ?
C15 Ru1 C12 C13 65.6(5) . . . . ?
C11 Ru1 C12 C13 128.5(6) . . . . ?
C10 Ru1 C12 C13 102.1(5) . . . . ?
Cl1 Ru1 C12 C13 133.3(5) . . . . ?
C9 Ru1 C12 C11 172.7(4) . . . . ?
N1 Ru1 C12 C11 95.4(4) . . . . ?
C13 Ru1 C12 C11 -128.5(6) . . . . ?
C14 Ru1 C12 C11 -98.8(5) . . . . ?
C15 Ru1 C12 C11 -62.9(4) . . . . ?
C10 Ru1 C12 C11 -26.4(4) . . . . ?
Cl1 Ru1 C12 C11 4.8(8) . . . . ?
C9 Ru1 C12 C16 58.6(7) . . . . ?
N1 Ru1 C12 C16 -18.8(7) . . . . ?
C13 Ru1 C12 C16 117.3(8) . . . . ?
C14 Ru1 C12 C16 147.1(7) . . . . ?
C15 Ru1 C12 C16 -177.0(7) . . . . ?
C11 Ru1 C12 C16 -114.2(8) . . . . ?
C10 Ru1 C12 C16 -140.6(7) . . . . ?
Cl1 Ru1 C12 C16 -109.4(7) . . . . ?
C11 C12 C13 C14 3.1(11) . . . . ?
C16 C12 C13 C14 -178.9(7) . . . . ?
Ru1 C12 C13 C14 -54.9(6) . . . . ?
C11 C12 C13 Ru1 58.0(6) . . . . ?
C16 C12 C13 Ru1 -124.1(7) . . . . ?
C9 Ru1 C13 C12 128.9(5) . . . . ?
N1 Ru1 C13 C12 52.1(5) . . . . ?
C14 Ru1 C13 C12 -132.1(7) . . . . ?
C15 Ru1 C13 C12 -104.5(5) . . . . ?
C11 Ru1 C13 C12 -31.4(4) . . . . ?
C10 Ru1 C13 C12 -66.7(5) . . . . ?
Cl1 Ru1 C13 C12 -143.7(4) . . . . ?
C9 Ru1 C13 C14 -99.0(5) . . . . ?
N1 Ru1 C13 C14 -175.9(4) . . . . ?
C12 Ru1 C13 C14 132.1(7) . . . . ?
C15 Ru1 C13 C14 27.6(4) . . . . ?
C11 Ru1 C13 C14 100.6(5) . . . . ?
C10 Ru1 C13 C14 65.4(4) . . . . ?
Cl1 Ru1 C13 C14 -11.6(7) . . . . ?
C12 C13 C14 C15 1.8(11) . . . . ?
Ru1 C13 C14 C15 -53.4(7) . . . . ?
C12 C13 C14 Ru1 55.1(6) . . . . ?
C9 Ru1 C14 C15 -141.4(5) . . . . ?
N1 Ru1 C14 C15 143.4(6) . . . . ?
C13 Ru1 C14 C15 134.2(7) . . . . ?
C12 Ru1 C14 C15 105.1(5) . . . . ?
C11 Ru1 C14 C15 67.0(5) . . . . ?
C10 Ru1 C14 C15 31.4(4) . . . . ?
Cl1 Ru1 C14 C15 -51.6(5) . . . . ?
C9 Ru1 C14 C13 84.5(5) . . . . ?
N1 Ru1 C14 C13 9.2(9) . . . . ?
C12 Ru1 C14 C13 -29.0(4) . . . . ?
C15 Ru1 C14 C13 -134.2(7) . . . . ?
C11 Ru1 C14 C13 -67.2(4) . . . . ?
C10 Ru1 C14 C13 -102.7(5) . . . . ?
Cl1 Ru1 C14 C13 174.2(4) . . . . ?
C13 C14 C15 C10 -5.0(11) . . . . ?
Ru1 C14 C15 C10 -57.2(6) . . . . ?
C13 C14 C15 C17 176.4(7) . . . . ?
Ru1 C14 C15 C17 124.1(7) . . . . ?
C13 C14 C15 Ru1 52.2(6) . . . . ?
C11 C10 C15 C14 3.4(11) . . . . ?
Ru1 C10 C15 C14 56.1(6) . . . . ?
C11 C10 C15 C17 -177.9(7) . . . . ?
Ru1 C10 C15 C17 -125.2(7) . . . . ?
C11 C10 C15 Ru1 -52.7(6) . . . . ?
C9 Ru1 C15 C14 48.9(6) . . . . ?
N1 Ru1 C15 C14 -141.9(6) . . . . ?
C13 Ru1 C15 C14 -28.6(5) . . . . ?
C12 Ru1 C15 C14 -65.1(5) . . . . ?
C11 Ru1 C15 C14 -101.5(5) . . . . ?
C10 Ru1 C15 C14 -128.7(7) . . . . ?
Cl1 Ru1 C15 C14 134.8(4) . . . . ?
C9 Ru1 C15 C10 177.6(4) . . . . ?
N1 Ru1 C15 C10 -13.1(9) . . . . ?
C13 Ru1 C15 C10 100.1(5) . . . . ?
C14 Ru1 C15 C10 128.7(7) . . . . ?
C12 Ru1 C15 C10 63.6(4) . . . . ?
C11 Ru1 C15 C10 27.2(4) . . . . ?
Cl1 Ru1 C15 C10 -96.5(4) . . . . ?
C9 Ru1 C15 C17 -66.8(8) . . . . ?
N1 Ru1 C15 C17 102.5(8) . . . . ?
C13 Ru1 C15 C17 -144.3(7) . . . . ?
C14 Ru1 C15 C17 -115.7(9) . . . . ?
C12 Ru1 C15 C17 179.2(7) . . . . ?
C11 Ru1 C15 C17 142.9(7) . . . . ?
C10 Ru1 C15 C17 115.6(8) . . . . ?
Cl1 Ru1 C15 C17 19.1(7) . . . . ?
C13 C12 C16 C18 23.7(10) . . . . ?
C11 C12 C16 C18 -158.4(7) . . . . ?
Ru1 C12 C16 C18 -66.9(8) . . . . ?
C13 C12 C16 C19 -101.3(8) . . . . ?
C11 C12 C16 C19 76.7(8) . . . . ?
Ru1 C12 C16 C19 168.2(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         1.093
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.186
