# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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. 
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data_mo_AK513_0m
_database_code_depnum_ccdc_archive 'CCDC 1063666'
_audit_update_record             
;
2015-05-06 deposited with the CCDC.
2015-07-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H26 B F4 N Ru'
_chemical_formula_weight         444.28
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'
B B 0.0013 0.0007 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_space_group_IT_number           33
_symmetry_space_group_name_H-M   Pna2(1)
_space_group_name_Hall           'P 2c -2n'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   16.1385(9)
_cell_length_b                   14.1014(9)
_cell_length_c                   8.2801(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1884.35(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2968
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      25.86

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_F_000             904
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    0.869
_shelx_estimated_absorpt_T_min   0.780
_shelx_estimated_absorpt_T_max   0.974
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.842
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus source E025 IuS'
_diffrn_source_type              'Bruker APEX DUO'
_diffrn_source_power             50
_diffrn_source_current           0.6
_diffrn_source_size              '0.2 mm x 0.2 mm fine focus'
_diffrn_radiation_monochromator  'Quazar MX Multilayer Optics'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'APEX DUO Kappa 4-axis goniometer'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            11948
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         1.918
_diffrn_reflns_theta_max         26.469
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             3757
_reflns_number_gt                3036
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.802
_reflns_Friedel_fraction_max     0.925
_reflns_Friedel_fraction_full    0.938

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2 v2011.4-0'
_computing_cell_refinement       'Bruker APEX2 v2011.4-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0707P)²+1.5888P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1180 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_chemical_absolute_configuration ad
_refine_ls_abs_structure_Flack   -0.03(3)
_refine_ls_number_reflns         3757
_refine_ls_number_parameters     279
_refine_ls_number_restraints     105
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.1289
_refine_ls_wR_factor_gt          0.1190
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.79249(3) 0.42590(4) 0.6178(3) 0.0301(2) Uani 1 1 d . . . . .
N1 N 0.6457(5) 0.5949(6) 0.7133(11) 0.048(2) Uani 1 1 d . . . . .
C1 C 0.7154(5) 0.5439(7) 0.7496(12) 0.036(2) Uani 1 1 d . . . . .
C2 C 0.7954(5) 0.5762(6) 0.7011(14) 0.038(2) Uani 1 1 d . . . . .
H2 H 0.7997 0.6301 0.6328 0.046 Uiso 1 1 calc R U . . .
C3 C 0.8677(6) 0.5302(7) 0.7523(12) 0.041(2) Uani 1 1 d . . . . .
H3 H 0.9205 0.5560 0.7269 0.050 Uiso 1 1 calc R U . . .
C4 C 0.8617(8) 0.4435(9) 0.8435(14) 0.050(3) Uani 1 1 d . . . . .
H4 H 0.9104 0.4117 0.8782 0.060 Uiso 1 1 calc R U . . .
C5 C 0.7838(8) 0.4067(9) 0.8807(15) 0.042(3) Uani 1 1 d . . . . .
H5 H 0.7793 0.3493 0.9402 0.050 Uiso 1 1 calc R U . . .
C6 C 0.7112(6) 0.4551(8) 0.8295(12) 0.037(2) Uani 1 1 d . . . . .
H6 H 0.6586 0.4272 0.8492 0.045 Uiso 1 1 calc R U . . .
C7 C 0.6510(6) 0.6783(6) 0.613(2) 0.052(2) Uani 1 1 d . . . . .
H7A H 0.6680 0.6599 0.5035 0.078 Uiso 1 1 calc R U . . .
H7B H 0.6919 0.7223 0.6581 0.078 Uiso 1 1 calc R U . . .
H7C H 0.5967 0.7094 0.6082 0.078 Uiso 1 1 calc R U . . .
C8 C 0.5642(6) 0.5493(8) 0.7332(17) 0.060(3) Uani 1 1 d . . . . .
H8A H 0.5569 0.5303 0.8462 0.090 Uiso 1 1 calc R U . . .
H8B H 0.5610 0.4932 0.6637 0.090 Uiso 1 1 calc R U . . .
H8C H 0.5204 0.5941 0.7031 0.090 Uiso 1 1 calc R U . . .
C9 C 0.7427(7) 0.4026(9) 0.3770(13) 0.039(3) Uani 1 1 d . . . . .
C10 C 0.8291(9) 0.4204(8) 0.3650(14) 0.042(3) Uani 1 1 d . . . . .
C11 C 0.8700(6) 0.3490(7) 0.4532(11) 0.037(2) Uani 1 1 d . . . . .
C12 C 0.8097(7) 0.2865(7) 0.5164(12) 0.044(2) Uani 1 1 d . . . . .
C13 C 0.7309(6) 0.3219(7) 0.4676(12) 0.041(2) Uani 1 1 d . . . . .
C14 C 0.6772(7) 0.4606(9) 0.2929(14) 0.056(3) Uani 1 1 d . . . . .
H14A H 0.6290 0.4675 0.3640 0.083 Uiso 1 1 calc R U . . .
H14B H 0.6604 0.4285 0.1931 0.083 Uiso 1 1 calc R U . . .
H14C H 0.6996 0.5234 0.2670 0.083 Uiso 1 1 calc R U . . .
C15 C 0.8698(8) 0.4988(9) 0.2731(14) 0.064(3) Uani 1 1 d . . . . .
H15A H 0.8890 0.4747 0.1685 0.096 Uiso 1 1 calc R U . . .
H15B H 0.9171 0.5229 0.3347 0.096 Uiso 1 1 calc R U . . .
H15C H 0.8299 0.5501 0.2556 0.096 Uiso 1 1 calc R U . . .
C16 C 0.9639(6) 0.3380(10) 0.4677(14) 0.063(3) Uani 1 1 d . . . . .
H16A H 0.9859 0.3099 0.3683 0.094 Uiso 1 1 calc R U . . .
H16B H 0.9769 0.2966 0.5594 0.094 Uiso 1 1 calc R U . . .
H16C H 0.9893 0.4003 0.4848 0.094 Uiso 1 1 calc R U . . .
C17 C 0.8248(7) 0.1972(6) 0.609(2) 0.062(3) Uani 1 1 d . . . . .
H17A H 0.8724 0.2061 0.6812 0.093 Uiso 1 1 calc R U . . .
H17B H 0.8364 0.1453 0.5338 0.093 Uiso 1 1 calc R U . . .
H17C H 0.7756 0.1817 0.6733 0.093 Uiso 1 1 calc R U . . .
C18 C 0.6482(7) 0.2743(9) 0.5045(15) 0.059(3) Uani 1 1 d . . . . .
H18A H 0.6353 0.2283 0.4195 0.088 Uiso 1 1 calc R U . . .
H18B H 0.6044 0.3224 0.5089 0.088 Uiso 1 1 calc R U . . .
H18C H 0.6516 0.2417 0.6087 0.088 Uiso 1 1 calc R U . . .
B1 B 0.5706(19) 0.2488(19) -0.049(3) 0.063(4) Uani 0.5 1 d D U P A 1
F1 F 0.5245(9) 0.2045(12) -0.149(2) 0.081(4) Uani 0.5 1 d D U P A 1
F2 F 0.5455(9) 0.2209(12) 0.106(2) 0.083(4) Uani 0.5 1 d D U P A 1
F3 F 0.6530(11) 0.2440(16) -0.066(3) 0.061(5) Uani 0.5 1 d D U P A 1
F4 F 0.5462(10) 0.3483(10) -0.053(2) 0.066(4) Uani 0.5 1 d D U P A 1
B1' B 0.5664(16) 0.2507(15) -0.027(3) 0.017(4) Uani 0.5 1 d D U P B 2
F1' F 0.5767(9) 0.2835(11) 0.115(2) 0.083(4) Uani 0.5 1 d D U P B 2
F2' F 0.5240(8) 0.1646(8) -0.010(2) 0.075(4) Uani 0.5 1 d D U P B 2
F3' F 0.5305(10) 0.3061(14) -0.1378(19) 0.082(5) Uani 0.5 1 d D U P B 2
F4' F 0.6476(10) 0.2224(15) -0.087(3) 0.068(7) Uani 0.5 1 d D U P B 2


_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 C11 2.144(9) . ?
Ru1 C12 2.156(10) . ?
Ru1 C13 2.164(9) . ?
Ru1 C9 2.175(10) . ?
Ru1 C10 2.177(11) . ?
Ru1 C4 2.191(12) . ?
Ru1 C5 2.199(12) . ?
Ru1 C3 2.208(9) . ?
Ru1 C6 2.227(9) . ?
Ru1 C2 2.230(9) . ?
Ru1 C1 2.347(9) . ?
N1 C1 1.368(12) . ?
N1 C7 1.444(14) . ?
N1 C8 1.474(13) . ?
C1 C6 1.417(15) . ?
C1 C2 1.428(12) . ?
C2 C3 1.401(14) . ?
C3 C4 1.440(16) . ?
C4 C5 1.395(17) . ?
C5 C6 1.420(15) . ?
C9 C13 1.376(16) . ?
C9 C10 1.421(18) . ?
C9 C14 1.507(16) . ?
C10 C11 1.408(15) . ?
C10 C15 1.493(15) . ?
C11 C12 1.415(14) . ?
C11 C16 1.529(14) . ?
C12 C13 1.424(14) . ?
C12 C17 1.495(15) . ?
C13 C18 1.526(14) . ?
B1 F1 1.28(3) . ?
B1 F3 1.34(3) . ?
B1 F2 1.40(2) . ?
B1 F4 1.46(3) . ?
B1' F1' 1.28(3) . ?
B1' F3' 1.34(3) . ?
B1' F2' 1.401(19) . ?
B1' F4' 1.46(3) . ?

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
C11 Ru1 C12 38.4(4) . . ?
C11 Ru1 C13 63.9(4) . . ?
C12 Ru1 C13 38.5(4) . . ?
C11 Ru1 C9 63.7(4) . . ?
C12 Ru1 C9 63.4(4) . . ?
C13 Ru1 C9 37.0(4) . . ?
C11 Ru1 C10 38.0(4) . . ?
C12 Ru1 C10 63.8(4) . . ?
C13 Ru1 C10 63.1(4) . . ?
C9 Ru1 C10 38.1(5) . . ?
C11 Ru1 C4 107.6(4) . . ?
C12 Ru1 C4 111.7(4) . . ?
C13 Ru1 C4 143.2(5) . . ?
C9 Ru1 C4 170.9(5) . . ?
C10 Ru1 C4 133.3(6) . . ?
C11 Ru1 C5 127.2(4) . . ?
C12 Ru1 C5 106.3(4) . . ?
C13 Ru1 C5 117.1(4) . . ?
C9 Ru1 C5 150.0(5) . . ?
C10 Ru1 C5 164.9(5) . . ?
C4 Ru1 C5 37.0(4) . . ?
C11 Ru1 C3 109.7(3) . . ?
C12 Ru1 C3 137.1(4) . . ?
C13 Ru1 C3 173.4(4) . . ?
C9 Ru1 C3 140.0(4) . . ?
C10 Ru1 C3 111.0(4) . . ?
C4 Ru1 C3 38.2(4) . . ?
C5 Ru1 C3 67.5(4) . . ?
C11 Ru1 C6 159.6(4) . . ?
C12 Ru1 C6 123.4(4) . . ?
C13 Ru1 C6 107.9(4) . . ?
C9 Ru1 C6 122.1(4) . . ?
C10 Ru1 C6 157.4(5) . . ?
C4 Ru1 C6 66.9(4) . . ?
C5 Ru1 C6 37.4(4) . . ?
C3 Ru1 C6 78.7(4) . . ?
C11 Ru1 C2 131.7(4) . . ?
C12 Ru1 C2 170.0(4) . . ?
C13 Ru1 C2 146.3(4) . . ?
C9 Ru1 C2 115.8(4) . . ?
C10 Ru1 C2 109.0(4) . . ?
C4 Ru1 C2 67.5(4) . . ?
C5 Ru1 C2 79.2(4) . . ?
C3 Ru1 C2 36.8(4) . . ?
C6 Ru1 C2 66.0(4) . . ?
C11 Ru1 C1 164.4(4) . . ?
C12 Ru1 C1 153.6(4) . . ?
C13 Ru1 C1 120.3(4) . . ?
C9 Ru1 C1 109.7(4) . . ?
C10 Ru1 C1 128.1(4) . . ?
C4 Ru1 C1 78.1(4) . . ?
C5 Ru1 C1 66.0(4) . . ?
C3 Ru1 C1 65.5(4) . . ?
C6 Ru1 C1 36.0(4) . . ?
C2 Ru1 C1 36.2(3) . . ?
C1 N1 C7 120.4(8) . . ?
C1 N1 C8 118.7(9) . . ?
C7 N1 C8 118.2(9) . . ?
N1 C1 C6 121.9(8) . . ?
N1 C1 C2 120.9(9) . . ?
C6 C1 C2 117.1(8) . . ?
N1 C1 Ru1 135.0(7) . . ?
C6 C1 Ru1 67.4(5) . . ?
C2 C1 Ru1 67.4(5) . . ?
C3 C2 C1 121.4(10) . . ?
C3 C2 Ru1 70.8(5) . . ?
C1 C2 Ru1 76.4(5) . . ?
C2 C3 C4 119.7(9) . . ?
C2 C3 Ru1 72.4(5) . . ?
C4 C3 Ru1 70.3(6) . . ?
C5 C4 C3 119.6(10) . . ?
C5 C4 Ru1 71.8(7) . . ?
C3 C4 Ru1 71.5(6) . . ?
C4 C5 C6 119.8(12) . . ?
C4 C5 Ru1 71.2(7) . . ?
C6 C5 Ru1 72.4(7) . . ?
C1 C6 C5 121.7(10) . . ?
C1 C6 Ru1 76.6(5) . . ?
C5 C6 Ru1 70.2(6) . . ?
C13 C9 C10 108.7(10) . . ?
C13 C9 C14 127.2(11) . . ?
C10 C9 C14 124.1(11) . . ?
C13 C9 Ru1 71.1(6) . . ?
C10 C9 Ru1 71.0(6) . . ?
C14 C9 Ru1 126.9(8) . . ?
C11 C10 C9 107.3(9) . . ?
C11 C10 C15 126.0(12) . . ?
C9 C10 C15 126.7(12) . . ?
C11 C10 Ru1 69.7(6) . . ?
C9 C10 Ru1 70.9(6) . . ?
C15 C10 Ru1 125.7(7) . . ?
C10 C11 C12 108.4(9) . . ?
C10 C11 C16 125.4(10) . . ?
C12 C11 C16 126.1(10) . . ?
C10 C11 Ru1 72.2(6) . . ?
C12 C11 Ru1 71.2(5) . . ?
C16 C11 Ru1 125.5(7) . . ?
C11 C12 C13 106.9(9) . . ?
C11 C12 C17 127.1(10) . . ?
C13 C12 C17 126.0(10) . . ?
C11 C12 Ru1 70.4(6) . . ?
C13 C12 Ru1 71.1(6) . . ?
C17 C12 Ru1 126.1(8) . . ?
C9 C13 C12 108.8(9) . . ?
C9 C13 C18 126.4(11) . . ?
C12 C13 C18 124.7(10) . . ?
C9 C13 Ru1 72.0(6) . . ?
C12 C13 Ru1 70.4(6) . . ?
C18 C13 Ru1 125.8(7) . . ?
F1 B1 F3 119(2) . . ?
F1 B1 F2 106.7(16) . . ?
F3 B1 F2 112(2) . . ?
F1 B1 F4 107(2) . . ?
F3 B1 F4 108.4(15) . . ?
F2 B1 F4 102(2) . . ?
F1' B1' F3' 119(2) . . ?
F1' B1' F2' 106.5(15) . . ?
F3' B1' F2' 111(2) . . ?
F1' B1' F4' 107(2) . . ?
F3' B1' F4' 108.3(14) . . ?
F2' B1' F4' 103.7(18) . . ?

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
C7 N1 C1 C6 -171.4(10) . . . . ?
C8 N1 C1 C6 -10.4(14) . . . . ?
C7 N1 C1 C2 5.6(16) . . . . ?
C8 N1 C1 C2 166.6(10) . . . . ?
C7 N1 C1 Ru1 -82.4(14) . . . . ?
C8 N1 C1 Ru1 78.6(13) . . . . ?
N1 C1 C2 C3 173.0(9) . . . . ?
C6 C1 C2 C3 -9.9(14) . . . . ?
Ru1 C1 C2 C3 -57.0(8) . . . . ?
N1 C1 C2 Ru1 -130.0(9) . . . . ?
C6 C1 C2 Ru1 47.1(8) . . . . ?
C1 C2 C3 C4 5.7(14) . . . . ?
Ru1 C2 C3 C4 -54.0(8) . . . . ?
C1 C2 C3 Ru1 59.6(8) . . . . ?
C2 C3 C4 C5 -0.3(15) . . . . ?
Ru1 C3 C4 C5 -55.3(10) . . . . ?
C2 C3 C4 Ru1 55.0(8) . . . . ?
C3 C4 C5 C6 -0.5(17) . . . . ?
Ru1 C4 C5 C6 -55.7(10) . . . . ?
C3 C4 C5 Ru1 55.2(9) . . . . ?
N1 C1 C6 C5 -173.8(10) . . . . ?
C2 C1 C6 C5 9.1(14) . . . . ?
Ru1 C1 C6 C5 56.2(9) . . . . ?
N1 C1 C6 Ru1 130.0(9) . . . . ?
C2 C1 C6 Ru1 -47.1(8) . . . . ?
C4 C5 C6 C1 -4.1(17) . . . . ?
Ru1 C5 C6 C1 -59.2(9) . . . . ?
C4 C5 C6 Ru1 55.1(10) . . . . ?
C13 C9 C10 C11 -0.9(11) . . . . ?
C14 C9 C10 C11 -177.2(10) . . . . ?
Ru1 C9 C10 C11 60.5(7) . . . . ?
C13 C9 C10 C15 177.8(10) . . . . ?
C14 C9 C10 C15 1.5(16) . . . . ?
Ru1 C9 C10 C15 -120.8(11) . . . . ?
C13 C9 C10 Ru1 -61.4(7) . . . . ?
C14 C9 C10 Ru1 122.3(10) . . . . ?
C9 C10 C11 C12 1.2(11) . . . . ?
C15 C10 C11 C12 -177.5(10) . . . . ?
Ru1 C10 C11 C12 62.5(7) . . . . ?
C9 C10 C11 C16 177.4(9) . . . . ?
C15 C10 C11 C16 -1.3(17) . . . . ?
Ru1 C10 C11 C16 -121.3(10) . . . . ?
C9 C10 C11 Ru1 -61.3(7) . . . . ?
C15 C10 C11 Ru1 120.0(11) . . . . ?
C10 C11 C12 C13 -1.0(11) . . . . ?
C16 C11 C12 C13 -177.2(9) . . . . ?
Ru1 C11 C12 C13 62.1(6) . . . . ?
C10 C11 C12 C17 176.0(11) . . . . ?
C16 C11 C12 C17 -0.2(17) . . . . ?
Ru1 C11 C12 C17 -120.9(11) . . . . ?
C10 C11 C12 Ru1 -63.1(7) . . . . ?
C16 C11 C12 Ru1 120.7(10) . . . . ?
C10 C9 C13 C12 0.2(11) . . . . ?
C14 C9 C13 C12 176.4(10) . . . . ?
Ru1 C9 C13 C12 -61.1(7) . . . . ?
C10 C9 C13 C18 -177.0(9) . . . . ?
C14 C9 C13 C18 -0.9(17) . . . . ?
Ru1 C9 C13 C18 121.6(10) . . . . ?
C10 C9 C13 Ru1 61.4(7) . . . . ?
C14 C9 C13 Ru1 -122.5(11) . . . . ?
C11 C12 C13 C9 0.5(11) . . . . ?
C17 C12 C13 C9 -176.5(11) . . . . ?
Ru1 C12 C13 C9 62.1(7) . . . . ?
C11 C12 C13 C18 177.8(9) . . . . ?
C17 C12 C13 C18 0.8(16) . . . . ?
Ru1 C12 C13 C18 -120.6(9) . . . . ?
C11 C12 C13 Ru1 -61.6(7) . . . . ?
C17 C12 C13 Ru1 121.4(11) . . . . ?

_refine_diff_density_max         1.639
_refine_diff_density_min         -1.049
_refine_diff_density_rms         0.102
_shelxl_version_number           2014-3
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-dichloroethane, ether'
