# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_cg_bc_520_3_0m
_database_code_depnum_ccdc_archive 'CCDC 1557989'
_audit_update_record             
;
2017-06-23 deposited with the CCDC.	2020-06-25 downloaded from the CCDC.
;
_audit_creation_date             2017-03-24
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2016.02.24 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H21 Cl2 N Ru'
_chemical_formula_sum            'C19 H21 Cl2 N Ru'
_chemical_formula_weight         435.34
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z'

_cell_length_a                   7.1672(3)
_cell_length_b                   13.7037(5)
_cell_length_c                   17.9697(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1764.93(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3679
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.72
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.189
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6332
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0709 before and 0.0426 after correction.
The Ratio of minimum to maximum transmission is 0.8495.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark brown'
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7724
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         4.115
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_type              'Incoatec I\ms'
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.930
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                2039
_reflns_number_total             2199
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.565
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.057
_refine_ls_abs_structure_details 
;
 Flack x determined using 479 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.00(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     216
_refine_ls_number_reflns         2199
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0232
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0186P)²+0.6734P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0463
_refine_ls_wR_factor_ref         0.0477
_refine_special_details          ?
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.46(7) 0.54(7)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C7(H7)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C12(H12), C13(H13), C16(H16), C17(H17),
 C18(H18), C19(H19)
3.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.29132(4) 0.70052(2) 0.00351(4) 0.02453(10) Uani 1 1 d . . . . .
Cl1 Cl 0.0390(2) 0.68666(10) 0.09287(10) 0.0385(4) Uani 1 1 d . . . . .
Cl2 Cl 0.0497(2) 0.72689(12) -0.08869(9) 0.0453(4) Uani 1 1 d . . . . .
C1 C 0.2778(8) 0.9144(4) -0.0362(4) 0.0401(13) Uani 1 1 d . . . . .
C0AA C 0.4769(8) 0.6103(4) 0.0737(3) 0.0338(14) Uani 1 1 d . . . . .
C2 C 0.3733(8) 0.5509(4) 0.0239(3) 0.0356(15) Uani 1 1 d . . . . .
H2 H 0.300473 0.498707 0.043087 0.043 Uiso 1 1 calc R . . . .
C3 C 0.3760(8) 0.5674(4) -0.0521(3) 0.0344(13) Uani 1 1 d . . . . .
H3 H 0.307504 0.525127 -0.083833 0.041 Uiso 1 1 calc R . . . .
C4 C 0.4784(7) 0.6457(4) -0.0839(3) 0.0308(12) Uani 1 1 d . . . . .
C5 C 0.5811(11) 0.7049(4) -0.0345(4) 0.0301(16) Uani 1 1 d . . . . .
H5 H 0.655037 0.756826 -0.053384 0.036 Uiso 1 1 calc R . . . .
C6 C 0.5748(10) 0.6875(4) 0.0431(4) 0.0309(16) Uani 1 1 d . . . . .
H6 H 0.640222 0.730377 0.075367 0.037 Uiso 1 1 calc R . . . .
C7 C 0.4789(8) 0.6611(4) -0.1673(3) 0.0423(13) Uani 1 1 d . . . . .
H7 H 0.350546 0.646964 -0.186300 0.051 Uiso 1 1 calc R . . . .
C8 C 0.5309(10) 0.7637(4) -0.1912(3) 0.0659(18) Uani 1 1 d . . . . .
H8A H 0.447901 0.810656 -0.166772 0.099 Uiso 1 1 calc GR . . . .
H8B H 0.518146 0.769553 -0.245281 0.099 Uiso 1 1 calc GR . . . .
H8C H 0.660318 0.777183 -0.176857 0.099 Uiso 1 1 calc GR . . . .
C9 C 0.6120(9) 0.5872(4) -0.2019(3) 0.0615(16) Uani 1 1 d . . . . .
H9A H 0.739426 0.600462 -0.184900 0.092 Uiso 1 1 calc GR . . . .
H9B H 0.606628 0.592403 -0.256230 0.092 Uiso 1 1 calc GR . . . .
H9C H 0.575545 0.521181 -0.186750 0.092 Uiso 1 1 calc GR . . . .
C10 C 0.4730(9) 0.5910(5) 0.1557(3) 0.0565(17) Uani 1 1 d . . . . .
H10A H 0.537212 0.529389 0.166285 0.085 Uiso 1 1 calc GR . . . .
H10B H 0.343248 0.586635 0.172643 0.085 Uiso 1 1 calc GR . . . .
H10C H 0.535953 0.644342 0.181975 0.085 Uiso 1 1 calc GR . . . .
N11 N 0.2948(6) 0.8579(3) 0.0217(2) 0.0341(13) Uani 1 1 d . . . . .
C12 C 0.3033(8) 1.0167(4) -0.0356(4) 0.0464(15) Uani 1 1 d . . . . .
H12 H 0.289449 1.053770 -0.079968 0.056 Uiso 1 1 calc R . . . .
C13 C 0.3477(8) 1.0604(4) 0.0290(4) 0.0513(19) Uani 1 1 d . . . . .
H13 H 0.367420 1.128935 0.030344 0.062 Uiso 1 1 calc R . . . .
C14 C 0.3649(7) 1.0051(4) 0.0944(4) 0.0402(13) Uani 1 1 d . . . . .
C15 C 0.3386(7) 0.9019(4) 0.0891(4) 0.0346(12) Uani 1 1 d . . . . .
C16 C 0.3591(7) 0.8450(4) 0.1552(3) 0.0397(13) Uani 1 1 d . . . . .
H16 H 0.339274 0.776533 0.153614 0.048 Uiso 1 1 calc R . . . .
C17 C 0.4071(8) 0.8887(5) 0.2207(3) 0.0515(15) Uani 1 1 d . . . . .
H17 H 0.423277 0.850112 0.264170 0.062 Uiso 1 1 calc R . . . .
C18 C 0.4326(8) 0.9901(5) 0.2244(4) 0.0591(17) Uani 1 1 d . . . . .
H18 H 0.465942 1.019557 0.270376 0.071 Uiso 1 1 calc R . . . .
C19 C 0.4106(8) 1.0460(4) 0.1638(4) 0.0578(18) Uani 1 1 d . . . . .
H19 H 0.426208 1.114675 0.167787 0.069 Uiso 1 1 calc R . . . .
H1 H 0.261(7) 0.885(4) -0.088(4) 0.043(17) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.4256(18) . ?
Ru1 Cl2 2.4239(18) . ?
Ru1 C0AA 2.211(5) . ?
Ru1 C2 2.164(5) . ?
Ru1 C3 2.167(5) . ?
Ru1 C4 2.197(5) . ?
Ru1 C5 2.187(8) . ?
Ru1 C6 2.160(7) . ?
Ru1 N11 2.182(4) . ?
C1 N11 1.302(7) . ?
C1 C12 1.414(8) . ?
C1 H1 1.02(6) . ?
C0AA C2 1.420(8) . ?
C0AA C6 1.384(9) . ?
C0AA C10 1.498(8) . ?
C2 H2 0.9500 . ?
C2 C3 1.383(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.421(7) . ?
C4 C5 1.410(8) . ?
C4 C7 1.514(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.415(6) . ?
C6 H6 0.9500 . ?
C7 H7 1.0000 . ?
C7 C8 1.517(8) . ?
C7 C9 1.523(7) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
N11 C15 1.389(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.344(8) . ?
C13 H13 0.9500 . ?
C13 C14 1.404(8) . ?
C14 C15 1.431(7) . ?
C14 C19 1.406(9) . ?
C15 C16 1.428(8) . ?
C16 H16 0.9500 . ?
C16 C17 1.364(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.404(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.341(9) . ?
C19 H19 0.9500 . ?

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
Cl2 Ru1 Cl1 86.08(4) . . ?
C0AA Ru1 Cl1 91.54(15) . . ?
C0AA Ru1 Cl2 154.56(15) . . ?
C2 Ru1 Cl1 90.93(15) . . ?
C2 Ru1 Cl2 116.79(15) . . ?
C2 Ru1 C0AA 37.8(2) . . ?
C2 Ru1 C3 37.3(2) . . ?
C2 Ru1 C4 68.38(19) . . ?
C2 Ru1 C5 79.7(2) . . ?
C2 Ru1 N11 155.27(19) . . ?
C3 Ru1 Cl1 116.62(16) . . ?
C3 Ru1 Cl2 90.61(15) . . ?
C3 Ru1 C0AA 67.9(2) . . ?
C3 Ru1 C4 37.99(19) . . ?
C3 Ru1 C5 67.2(2) . . ?
C3 Ru1 N11 153.9(2) . . ?
C4 Ru1 Cl1 154.33(13) . . ?
C4 Ru1 Cl2 89.91(15) . . ?
C4 Ru1 C0AA 81.35(18) . . ?
C5 Ru1 Cl1 156.44(18) . . ?
C5 Ru1 Cl2 117.46(18) . . ?
C5 Ru1 C0AA 67.8(2) . . ?
C5 Ru1 C4 37.5(2) . . ?
C6 Ru1 Cl1 118.47(19) . . ?
C6 Ru1 Cl2 155.43(19) . . ?
C6 Ru1 C0AA 36.9(2) . . ?
C6 Ru1 C2 67.1(2) . . ?
C6 Ru1 C3 79.5(2) . . ?
C6 Ru1 C4 68.5(2) . . ?
C6 Ru1 C5 37.98(15) . . ?
C6 Ru1 N11 91.24(19) . . ?
N11 Ru1 Cl1 89.25(12) . . ?
N11 Ru1 Cl2 87.90(12) . . ?
N11 Ru1 C0AA 117.43(19) . . ?
N11 Ru1 C4 115.96(17) . . ?
N11 Ru1 C5 90.49(17) . . ?
N11 C1 C12 124.9(6) . . ?
N11 C1 H1 121(3) . . ?
C12 C1 H1 114(3) . . ?
C2 C0AA Ru1 69.3(3) . . ?
C2 C0AA C10 120.7(5) . . ?
C6 C0AA Ru1 69.5(4) . . ?
C6 C0AA C2 116.9(5) . . ?
C6 C0AA C10 122.4(6) . . ?
C10 C0AA Ru1 130.5(4) . . ?
Ru1 C2 H2 128.7 . . ?
C0AA C2 Ru1 72.9(3) . . ?
C0AA C2 H2 119.3 . . ?
C3 C2 Ru1 71.5(3) . . ?
C3 C2 C0AA 121.4(6) . . ?
C3 C2 H2 119.3 . . ?
Ru1 C3 H3 130.2 . . ?
C2 C3 Ru1 71.3(4) . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.9(6) . . ?
C4 C3 Ru1 72.2(3) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 Ru1 69.8(3) . . ?
C3 C4 C7 120.3(5) . . ?
C5 C4 Ru1 70.9(4) . . ?
C5 C4 C3 116.8(5) . . ?
C5 C4 C7 122.9(5) . . ?
C7 C4 Ru1 131.5(4) . . ?
Ru1 C5 H5 131.5 . . ?
C4 C5 Ru1 71.6(4) . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(7) . . ?
C6 C5 Ru1 70.0(5) . . ?
C6 C5 H5 119.8 . . ?
Ru1 C6 H6 127.9 . . ?
C0AA C6 Ru1 73.6(4) . . ?
C0AA C6 C5 122.5(6) . . ?
C0AA C6 H6 118.8 . . ?
C5 C6 Ru1 72.0(5) . . ?
C5 C6 H6 118.8 . . ?
C4 C7 H7 108.0 . . ?
C4 C7 C8 114.1(5) . . ?
C4 C7 C9 108.3(5) . . ?
C8 C7 H7 108.0 . . ?
C8 C7 C9 110.3(5) . . ?
C9 C7 H7 108.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C0AA C10 H10A 109.5 . . ?
C0AA C10 H10B 109.5 . . ?
C0AA C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C1 N11 Ru1 117.8(4) . . ?
C1 N11 C15 117.4(5) . . ?
C15 N11 Ru1 124.2(3) . . ?
C1 C12 H12 120.7 . . ?
C13 C12 C1 118.6(6) . . ?
C13 C12 H12 120.7 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.2(5) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 117.8(6) . . ?
C13 C14 C19 123.2(5) . . ?
C19 C14 C15 118.9(6) . . ?
N11 C15 C14 121.1(6) . . ?
N11 C15 C16 120.8(4) . . ?
C16 C15 C14 118.1(5) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.3(5) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.5(6) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.8(6) . . ?
C19 C18 H18 119.6 . . ?
C14 C19 H19 119.3 . . ?
C18 C19 C14 121.4(5) . . ?
C18 C19 H19 119.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 C0AA C2 C3 54.7(5) . . . . ?
Ru1 C0AA C6 C5 -55.3(8) . . . . ?
Ru1 C2 C3 C4 53.7(5) . . . . ?
Ru1 C3 C4 C5 54.8(5) . . . . ?
Ru1 C3 C4 C7 -127.0(5) . . . . ?
Ru1 C4 C5 C6 52.2(7) . . . . ?
Ru1 C4 C7 C8 69.9(7) . . . . ?
Ru1 C4 C7 C9 -166.9(4) . . . . ?
Ru1 C5 C6 C0AA 56.0(7) . . . . ?
Ru1 N11 C15 C14 170.7(3) . . . . ?
Ru1 N11 C15 C16 -9.1(7) . . . . ?
C1 N11 C15 C14 -0.4(7) . . . . ?
C1 N11 C15 C16 179.8(5) . . . . ?
C1 C12 C13 C14 -1.0(10) . . . . ?
C0AA C2 C3 Ru1 -55.4(5) . . . . ?
C0AA C2 C3 C4 -1.6(9) . . . . ?
C2 C0AA C6 Ru1 52.2(5) . . . . ?
C2 C0AA C6 C5 -3.1(11) . . . . ?
C2 C3 C4 Ru1 -53.3(5) . . . . ?
C2 C3 C4 C5 1.4(8) . . . . ?
C2 C3 C4 C7 179.6(6) . . . . ?
C3 C4 C5 Ru1 -54.3(4) . . . . ?
C3 C4 C5 C6 -2.1(10) . . . . ?
C3 C4 C7 C8 158.9(5) . . . . ?
C3 C4 C7 C9 -77.8(6) . . . . ?
C4 C5 C6 Ru1 -52.9(6) . . . . ?
C4 C5 C6 C0AA 3.1(13) . . . . ?
C5 C4 C7 C8 -23.0(8) . . . . ?
C5 C4 C7 C9 100.2(6) . . . . ?
C6 C0AA C2 Ru1 -52.3(5) . . . . ?
C6 C0AA C2 C3 2.4(8) . . . . ?
C7 C4 C5 Ru1 127.6(5) . . . . ?
C7 C4 C5 C6 179.7(7) . . . . ?
C10 C0AA C2 Ru1 125.6(5) . . . . ?
C10 C0AA C2 C3 -179.7(6) . . . . ?
C10 C0AA C6 Ru1 -125.7(5) . . . . ?
C10 C0AA C6 C5 179.0(7) . . . . ?
N11 C1 C12 C13 -0.3(10) . . . . ?
N11 C15 C16 C17 178.2(5) . . . . ?
C12 C1 N11 Ru1 -170.7(4) . . . . ?
C12 C1 N11 C15 1.0(9) . . . . ?
C12 C13 C14 C15 1.6(9) . . . . ?
C12 C13 C14 C19 -179.9(6) . . . . ?
C13 C14 C15 N11 -0.8(8) . . . . ?
C13 C14 C15 C16 178.9(5) . . . . ?
C13 C14 C19 C18 -177.5(6) . . . . ?
C14 C15 C16 C17 -1.6(8) . . . . ?
C15 C14 C19 C18 1.1(8) . . . . ?
C15 C16 C17 C18 1.5(9) . . . . ?
C16 C17 C18 C19 0.0(9) . . . . ?
C17 C18 C19 C14 -1.2(9) . . . . ?
C19 C14 C15 N11 -179.5(5) . . . . ?
C19 C14 C15 C16 0.3(7) . . . . ?

_shelx_SHELXL_version_number     2016/4
_olex2_submission_special_instructions 'No special instructions were received'

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.46(7)
2 0.54(7)

