# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 1431451'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2015-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46 H59 F6 N4 O P Ru'
_chemical_formula_weight         930.01

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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0812(3)
_cell_length_b                   12.9431(3)
_cell_length_c                   14.3806(3)
_cell_angle_alpha                98.2779(11)
_cell_angle_beta                 99.9999(10)
_cell_angle_gamma                90.2522(12)
_cell_volume                     2190.44(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9844
_cell_measurement_theta_min      3.79
_cell_measurement_theta_max      28.33

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_F_000             968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.460
_shelx_estimated_absorpt_T_min   0.902
_shelx_estimated_absorpt_T_max   0.955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6678
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25768
_diffrn_reflns_av_unetI/netI     0.0226
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.763
_diffrn_reflns_theta_max         28.355
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             10779
_reflns_number_gt                9898
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX II, Bruker (2012)'
_computing_cell_refinement       'APEX II, Bruker (2012)'
_computing_data_reduction        'XPREP, Bruker (2012)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL, Bruker (2015)'
_computing_publication_material  'SHELXTL, Bruker (2015)'
_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)+(0.0541P)²+2.1583P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10779
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_ref         0.0990
_refine_ls_wR_factor_gt          0.0960
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.29125(2) 0.84025(2) 0.34968(2) 0.01833(6) Uani 1 1 d . . . . .
P1 P 0.68377(6) 0.41650(5) 0.22690(5) 0.04152(16) Uani 1 1 d . . . . .
F1 F 0.75045(17) 0.50619(18) 0.30338(14) 0.0686(6) Uani 1 1 d . . . . .
F2 F 0.6359(3) 0.37213(19) 0.30957(18) 0.1005(10) Uani 1 1 d . . . . .
F3 F 0.6112(3) 0.3297(2) 0.15000(18) 0.1049(11) Uani 1 1 d . . . . .
F4 F 0.72354(19) 0.46447(17) 0.14216(14) 0.0684(6) Uani 1 1 d . . . . .
F5 F 0.7830(4) 0.3440(3) 0.2320(3) 0.1574(17) Uani 1 1 d . . . . .
F6 F 0.57913(18) 0.4921(2) 0.21820(16) 0.0790(7) Uani 1 1 d . . . . .
O1 O 1.0616(2) 0.8929(2) 0.63165(17) 0.0606(6) Uani 1 1 d . . . . .
N1 N 0.41385(13) 0.82523(12) 0.17044(11) 0.0198(3) Uani 1 1 d . . . . .
N2 N 0.28278(13) 0.70771(12) 0.14033(11) 0.0183(3) Uani 1 1 d . . . . .
N3 N 0.43027(14) 0.75784(13) 0.41583(12) 0.0223(3) Uani 1 1 d . . . . .
N4 N 0.19188(15) 0.70431(14) 0.36774(12) 0.0259(3) Uani 1 1 d . . . . .
C1 C 0.2100(2) 0.97898(17) 0.30754(17) 0.0326(5) Uani 1 1 d . . . . .
H1A H 0.1809 0.9859 0.2431 0.039 Uiso 1 1 calc R U . . .
C2 C 0.3219(2) 1.00742(16) 0.35677(17) 0.0322(5) Uani 1 1 d . . . . .
H2A H 0.3805 1.0363 0.3312 0.039 Uiso 1 1 calc R U . . .
C3 C 0.3284(2) 0.98425(16) 0.45088(16) 0.0305(4) Uani 1 1 d . . . . .
H3A H 0.3932 0.9950 0.4995 0.037 Uiso 1 1 calc R U . . .
C4 C 0.2239(2) 0.94274(17) 0.46150(16) 0.0312(5) Uani 1 1 d . . . . .
H4A H 0.2055 0.9214 0.5176 0.037 Uiso 1 1 calc R U . . .
C5 C 0.1508(2) 0.93904(18) 0.37103(17) 0.0330(5) Uani 1 1 d . . . . .
H5A H 0.0749 0.9138 0.3565 0.040 Uiso 1 1 calc R U . . .
C6 C 0.33021(15) 0.78642(13) 0.21149(13) 0.0165(3) Uani 1 1 d . . . . .
C7 C 0.41701(18) 0.77134(17) 0.08026(15) 0.0265(4) Uani 1 1 d . . . . .
H7A H 0.4679 0.7844 0.0395 0.032 Uiso 1 1 calc R U . . .
C8 C 0.33532(18) 0.69796(16) 0.06146(14) 0.0255(4) Uani 1 1 d . . . . .
H8A H 0.3168 0.6486 0.0050 0.031 Uiso 1 1 calc R U . . .
C9 C 0.48727(16) 0.91684(15) 0.20350(14) 0.0220(4) Uani 1 1 d . . . . .
C10 C 0.59662(17) 0.90484(16) 0.25064(14) 0.0245(4) Uani 1 1 d . . . . .
C11 C 0.6663(2) 0.99473(19) 0.27787(17) 0.0331(5) Uani 1 1 d . . . . .
H11A H 0.7404 0.9897 0.3119 0.040 Uiso 1 1 calc R U . . .
C12 C 0.6291(2) 1.09054(19) 0.25610(19) 0.0388(5) Uani 1 1 d . . . . .
H12A H 0.6768 1.1510 0.2770 0.047 Uiso 1 1 calc R U . . .
C13 C 0.5233(2) 1.09913(17) 0.20434(19) 0.0354(5) Uani 1 1 d . . . . .
H13A H 0.5000 1.1652 0.1880 0.042 Uiso 1 1 calc R U . . .
C14 C 0.44958(18) 1.01270(16) 0.17550(16) 0.0274(4) Uani 1 1 d . . . . .
C15 C 0.64371(18) 0.79857(17) 0.26438(15) 0.0272(4) Uani 1 1 d . . . . .
H15A H 0.5788 0.7482 0.2575 0.033 Uiso 1 1 calc R U . . .
C16 C 0.7157(2) 0.7971(2) 0.36282(19) 0.0397(5) Uani 1 1 d . . . . .
H16A H 0.7436 0.7267 0.3674 0.060 Uiso 1 1 calc R U . . .
H16B H 0.7795 0.8467 0.3718 0.060 Uiso 1 1 calc R U . . .
H16C H 0.6700 0.8170 0.4123 0.060 Uiso 1 1 calc R U . . .
C17 C 0.7120(3) 0.7610(2) 0.1862(2) 0.0475(6) Uani 1 1 d . . . . .
H17A H 0.7421 0.6924 0.1956 0.071 Uiso 1 1 calc R U . . .
H17B H 0.6633 0.7557 0.1235 0.071 Uiso 1 1 calc R U . . .
H17C H 0.7742 0.8110 0.1894 0.071 Uiso 1 1 calc R U . . .
C18 C 0.3357(2) 1.02265(18) 0.11365(18) 0.0336(5) Uani 1 1 d . . . . .
H18A H 0.2852 0.9649 0.1229 0.040 Uiso 1 1 calc R U . . .
C19 C 0.3446(3) 1.0093(3) 0.0068(2) 0.0530(7) Uani 1 1 d . . . . .
H19A H 0.2701 1.0160 -0.0313 0.080 Uiso 1 1 calc R U . . .
H19B H 0.3962 1.0632 -0.0040 0.080 Uiso 1 1 calc R U . . .
H19C H 0.3732 0.9401 -0.0121 0.080 Uiso 1 1 calc R U . . .
C20 C 0.2798(3) 1.1261(2) 0.1406(2) 0.0491(7) Uani 1 1 d . . . . .
H20A H 0.2070 1.1281 0.0985 0.074 Uiso 1 1 calc R U . . .
H20B H 0.2684 1.1321 0.2070 0.074 Uiso 1 1 calc R U . . .
H20C H 0.3283 1.1844 0.1336 0.074 Uiso 1 1 calc R U . . .
C21 C 0.17955(16) 0.64846(15) 0.13355(13) 0.0201(3) Uani 1 1 d . . . . .
C22 C 0.18476(17) 0.54383(15) 0.14776(14) 0.0233(4) Uani 1 1 d . . . . .
C23 C 0.08249(19) 0.48927(18) 0.13868(16) 0.0302(4) Uani 1 1 d . . . . .
H23A H 0.0828 0.4190 0.1506 0.036 Uiso 1 1 calc R U . . .
C24 C -0.01884(19) 0.5351(2) 0.11280(16) 0.0335(5) Uani 1 1 d . . . . .
H24A H -0.0873 0.4969 0.1086 0.040 Uiso 1 1 calc R U . . .
C25 C -0.02098(18) 0.63646(19) 0.09304(16) 0.0310(5) Uani 1 1 d . . . . .
H25A H -0.0911 0.6664 0.0730 0.037 Uiso 1 1 calc R U . . .
C26 C 0.07814(17) 0.69553(16) 0.10200(14) 0.0242(4) Uani 1 1 d . . . . .
C27 C 0.29476(18) 0.48812(16) 0.16562(15) 0.0267(4) Uani 1 1 d . . . . .
H27A H 0.3570 0.5423 0.1797 0.032 Uiso 1 1 calc R U . . .
C28 C 0.3109(2) 0.4143(2) 0.07596(18) 0.0376(5) Uani 1 1 d . . . . .
H28A H 0.3824 0.3789 0.0887 0.056 Uiso 1 1 calc R U . . .
H28B H 0.2489 0.3622 0.0585 0.056 Uiso 1 1 calc R U . . .
H28C H 0.3118 0.4545 0.0233 0.056 Uiso 1 1 calc R U . . .
C29 C 0.3050(2) 0.4287(2) 0.25077(18) 0.0412(6) Uani 1 1 d . . . . .
H29A H 0.3775 0.3944 0.2589 0.062 Uiso 1 1 calc R U . . .
H29B H 0.3003 0.4776 0.3086 0.062 Uiso 1 1 calc R U . . .
H29C H 0.2439 0.3759 0.2396 0.062 Uiso 1 1 calc R U . . .
C30 C 0.07602(19) 0.80410(18) 0.07308(16) 0.0305(4) Uani 1 1 d . . . . .
H30A H 0.1490 0.8410 0.1035 0.037 Uiso 1 1 calc R U . . .
C31 C 0.0669(3) 0.7958(2) -0.0351(2) 0.0479(7) Uani 1 1 d . . . . .
H31A H 0.0656 0.8660 -0.0532 0.072 Uiso 1 1 calc R U . . .
H31B H 0.1317 0.7591 -0.0547 0.072 Uiso 1 1 calc R U . . .
H31C H -0.0025 0.7569 -0.0667 0.072 Uiso 1 1 calc R U . . .
C32 C -0.0190(2) 0.8703(2) 0.1053(2) 0.0457(6) Uani 1 1 d . . . . .
H32A H -0.0158 0.9390 0.0847 0.069 Uiso 1 1 calc R U . . .
H32B H -0.0916 0.8354 0.0769 0.069 Uiso 1 1 calc R U . . .
H32C H -0.0102 0.8790 0.1751 0.069 Uiso 1 1 calc R U . . .
C33 C 0.46684(18) 0.66893(16) 0.37272(14) 0.0250(4) Uani 1 1 d . . . . .
H33A H 0.4400 0.6490 0.3064 0.030 Uiso 1 1 calc R U . . .
C34 C 0.5417(2) 0.60450(19) 0.41952(17) 0.0342(5) Uani 1 1 d . . . . .
H34A H 0.5643 0.5417 0.3861 0.041 Uiso 1 1 calc R U . . .
C35 C 0.5827(2) 0.6332(2) 0.51556(18) 0.0408(6) Uani 1 1 d . . . . .
H35A H 0.6345 0.5909 0.5494 0.049 Uiso 1 1 calc R U . . .
C36 C 0.5469(2) 0.7248(2) 0.56152(17) 0.0414(6) Uani 1 1 d . . . . .
H36A H 0.5739 0.7465 0.6276 0.050 Uiso 1 1 calc R U . . .
C37 C 0.4714(2) 0.78417(18) 0.51010(16) 0.0340(5) Uani 1 1 d . . . . .
H37A H 0.4470 0.8468 0.5426 0.041 Uiso 1 1 calc R U . . .
C38 C 0.2231(2) 0.64243(19) 0.43503(19) 0.0357(5) Uani 1 1 d . . . . .
H38A H 0.2976 0.6504 0.4702 0.043 Uiso 1 1 calc R U . . .
C39 C 0.1518(3) 0.5676(2) 0.4555(2) 0.0476(7) Uani 1 1 d . . . . .
H39A H 0.1777 0.5251 0.5030 0.057 Uiso 1 1 calc R U . . .
C40 C 0.0431(3) 0.5558(2) 0.4062(2) 0.0498(7) Uani 1 1 d . . . . .
H40A H -0.0063 0.5033 0.4171 0.060 Uiso 1 1 calc R U . . .
C41 C 0.0076(2) 0.6218(2) 0.34086(18) 0.0430(6) Uani 1 1 d . . . . .
H41A H -0.0680 0.6179 0.3080 0.052 Uiso 1 1 calc R U . . .
C42 C 0.0839(2) 0.6939(2) 0.32379(16) 0.0331(5) Uani 1 1 d . . . . .
H42A H 0.0584 0.7388 0.2782 0.040 Uiso 1 1 calc R U . . .
C43 C 0.9930(3) 0.8338(3) 0.5518(2) 0.0614(9) Uani 1 1 d . . . . .
H43A H 1.0395 0.7866 0.5151 0.074 Uiso 1 1 calc R U . . .
H43B H 0.9535 0.8807 0.5092 0.074 Uiso 1 1 calc R U . . .
C44 C 0.9100(3) 0.7718(3) 0.5887(3) 0.0619(8) Uani 1 1 d . . . . .
H44A H 0.8953 0.7017 0.5501 0.074 Uiso 1 1 calc R U . . .
H44B H 0.8380 0.8082 0.5881 0.074 Uiso 1 1 calc R U . . .
C45 C 0.9672(4) 0.7636(4) 0.6904(3) 0.0761(11) Uani 1 1 d . . . . .
H45A H 0.9119 0.7696 0.7341 0.091 Uiso 1 1 calc R U . . .
H45B H 1.0051 0.6962 0.6933 0.091 Uiso 1 1 calc R U . . .
C46 C 1.0498(3) 0.8518(3) 0.7156(3) 0.0654(9) Uani 1 1 d . . . . .
H46A H 1.0239 0.9066 0.7617 0.078 Uiso 1 1 calc R U . . .
H46B H 1.1232 0.8277 0.7458 0.078 Uiso 1 1 calc R U . . .


_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 C6 2.1412(18) . ?
Ru1 N3 2.1487(17) . ?
Ru1 C1 2.163(2) . ?
Ru1 C5 2.167(2) . ?
Ru1 C2 2.178(2) . ?
Ru1 C3 2.186(2) . ?
Ru1 N4 2.1968(17) . ?
Ru1 C4 2.204(2) . ?
P1 F5 1.523(3) . ?
P1 F2 1.584(2) . ?
P1 F4 1.5874(19) . ?
P1 F1 1.588(2) . ?
P1 F3 1.597(2) . ?
P1 F6 1.601(2) . ?
O1 C43 1.415(4) . ?
O1 C46 1.416(4) . ?
N1 C6 1.382(2) . ?
N1 C7 1.388(2) . ?
N1 C9 1.449(2) . ?
N2 C6 1.380(2) . ?
N2 C8 1.384(2) . ?
N2 C21 1.443(2) . ?
N3 C33 1.341(3) . ?
N3 C37 1.354(3) . ?
N4 C42 1.344(3) . ?
N4 C38 1.349(3) . ?
C1 C5 1.404(3) . ?
C1 C2 1.433(4) . ?
C2 C3 1.417(3) . ?
C3 C4 1.411(3) . ?
C4 C5 1.434(3) . ?
C7 C8 1.332(3) . ?
C9 C10 1.396(3) . ?
C9 C14 1.412(3) . ?
C10 C11 1.400(3) . ?
C10 C15 1.517(3) . ?
C11 C12 1.381(4) . ?
C12 C13 1.377(4) . ?
C13 C14 1.395(3) . ?
C14 C18 1.520(3) . ?
C15 C16 1.530(3) . ?
C15 C17 1.533(3) . ?
C18 C20 1.533(3) . ?
C18 C19 1.544(4) . ?
C21 C22 1.398(3) . ?
C21 C26 1.404(3) . ?
C22 C23 1.397(3) . ?
C22 C27 1.515(3) . ?
C23 C24 1.379(3) . ?
C24 C25 1.381(4) . ?
C25 C26 1.395(3) . ?
C26 C30 1.521(3) . ?
C27 C29 1.525(3) . ?
C27 C28 1.532(3) . ?
C30 C31 1.528(3) . ?
C30 C32 1.532(3) . ?
C33 C34 1.386(3) . ?
C34 C35 1.380(3) . ?
C35 C36 1.380(4) . ?
C36 C37 1.381(3) . ?
C38 C39 1.389(3) . ?
C39 C40 1.377(5) . ?
C40 C41 1.374(4) . ?
C41 C42 1.385(3) . ?
C43 C44 1.494(5) . ?
C44 C45 1.524(5) . ?
C45 C46 1.475(5) . ?

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
C6 Ru1 N3 90.71(6) . . ?
C6 Ru1 C1 94.36(8) . . ?
N3 Ru1 C1 153.50(8) . . ?
C6 Ru1 C5 122.92(8) . . ?
N3 Ru1 C5 146.36(8) . . ?
C1 Ru1 C5 37.85(9) . . ?
C6 Ru1 C2 99.76(8) . . ?
N3 Ru1 C2 114.96(8) . . ?
C1 Ru1 C2 38.54(9) . . ?
C5 Ru1 C2 63.85(9) . . ?
C6 Ru1 C3 134.27(8) . . ?
N3 Ru1 C3 94.79(8) . . ?
C1 Ru1 C3 63.48(9) . . ?
C5 Ru1 C3 63.21(9) . . ?
C2 Ru1 C3 37.89(9) . . ?
C6 Ru1 N4 99.40(6) . . ?
N3 Ru1 N4 83.70(7) . . ?
C1 Ru1 N4 120.89(8) . . ?
C5 Ru1 N4 89.62(8) . . ?
C2 Ru1 N4 152.92(8) . . ?
C3 Ru1 N4 126.32(8) . . ?
C6 Ru1 C4 158.13(8) . . ?
N3 Ru1 C4 108.91(8) . . ?
C1 Ru1 C4 63.77(9) . . ?
C5 Ru1 C4 38.30(9) . . ?
C2 Ru1 C4 63.67(9) . . ?
C3 Ru1 C4 37.49(9) . . ?
N4 Ru1 C4 92.47(8) . . ?
F5 P1 F2 93.3(2) . . ?
F5 P1 F4 90.50(19) . . ?
F2 P1 F4 176.04(17) . . ?
F5 P1 F1 93.5(2) . . ?
F2 P1 F1 89.63(13) . . ?
F4 P1 F1 91.21(11) . . ?
F5 P1 F3 89.3(2) . . ?
F2 P1 F3 89.92(14) . . ?
F4 P1 F3 89.06(12) . . ?
F1 P1 F3 177.15(16) . . ?
F5 P1 F6 178.32(18) . . ?
F2 P1 F6 87.97(16) . . ?
F4 P1 F6 88.20(13) . . ?
F1 P1 F6 87.56(13) . . ?
F3 P1 F6 89.61(16) . . ?
C43 O1 C46 109.6(3) . . ?
C6 N1 C7 112.13(15) . . ?
C6 N1 C9 129.64(16) . . ?
C7 N1 C9 117.90(16) . . ?
C6 N2 C8 112.91(16) . . ?
C6 N2 C21 128.14(15) . . ?
C8 N2 C21 118.24(16) . . ?
C33 N3 C37 116.39(18) . . ?
C33 N3 Ru1 122.80(13) . . ?
C37 N3 Ru1 119.77(15) . . ?
C42 N4 C38 115.96(19) . . ?
C42 N4 Ru1 118.31(15) . . ?
C38 N4 Ru1 124.21(16) . . ?
C5 C1 C2 108.2(2) . . ?
C5 C1 Ru1 71.23(13) . . ?
C2 C1 Ru1 71.32(12) . . ?
C3 C2 C1 106.8(2) . . ?
C3 C2 Ru1 71.34(12) . . ?
C1 C2 Ru1 70.14(12) . . ?
C4 C3 C2 109.7(2) . . ?
C4 C3 Ru1 71.95(12) . . ?
C2 C3 Ru1 70.76(12) . . ?
C3 C4 C5 106.6(2) . . ?
C3 C4 Ru1 70.56(12) . . ?
C5 C4 Ru1 69.45(12) . . ?
C1 C5 C4 108.7(2) . . ?
C1 C5 Ru1 70.92(13) . . ?
C4 C5 Ru1 72.25(12) . . ?
N2 C6 N1 101.26(15) . . ?
N2 C6 Ru1 131.71(13) . . ?
N1 C6 Ru1 127.03(13) . . ?
C8 C7 N1 107.23(17) . . ?
C7 C8 N2 106.46(17) . . ?
C10 C9 C14 122.48(18) . . ?
C10 C9 N1 119.13(17) . . ?
C14 C9 N1 117.87(18) . . ?
C9 C10 C11 117.3(2) . . ?
C9 C10 C15 122.36(18) . . ?
C11 C10 C15 120.10(19) . . ?
C12 C11 C10 121.1(2) . . ?
C13 C12 C11 120.4(2) . . ?
C12 C13 C14 121.3(2) . . ?
C13 C14 C9 117.2(2) . . ?
C13 C14 C18 120.3(2) . . ?
C9 C14 C18 122.46(19) . . ?
C10 C15 C16 113.27(19) . . ?
C10 C15 C17 110.00(19) . . ?
C16 C15 C17 110.0(2) . . ?
C14 C18 C20 113.2(2) . . ?
C14 C18 C19 111.3(2) . . ?
C20 C18 C19 109.3(2) . . ?
C22 C21 C26 122.69(18) . . ?
C22 C21 N2 119.12(17) . . ?
C26 C21 N2 117.77(17) . . ?
C23 C22 C21 116.94(19) . . ?
C23 C22 C27 120.31(19) . . ?
C21 C22 C27 122.62(17) . . ?
C24 C23 C22 121.5(2) . . ?
C23 C24 C25 120.1(2) . . ?
C24 C25 C26 121.1(2) . . ?
C25 C26 C21 117.31(19) . . ?
C25 C26 C30 120.91(19) . . ?
C21 C26 C30 121.68(18) . . ?
C22 C27 C29 113.1(2) . . ?
C22 C27 C28 110.52(17) . . ?
C29 C27 C28 110.19(19) . . ?
C26 C30 C31 109.93(19) . . ?
C26 C30 C32 113.4(2) . . ?
C31 C30 C32 109.7(2) . . ?
N3 C33 C34 123.7(2) . . ?
C35 C34 C33 118.8(2) . . ?
C34 C35 C36 118.7(2) . . ?
C35 C36 C37 119.0(2) . . ?
N3 C37 C36 123.4(2) . . ?
N4 C38 C39 123.3(2) . . ?
C40 C39 C38 119.2(3) . . ?
C41 C40 C39 118.5(2) . . ?
C40 C41 C42 118.9(3) . . ?
N4 C42 C41 124.0(2) . . ?
O1 C43 C44 107.4(3) . . ?
C43 C44 C45 103.7(3) . . ?
C46 C45 C44 104.5(3) . . ?
O1 C46 C45 109.0(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
C5 C1 C2 C3 -0.3(2) . . . . ?
Ru1 C1 C2 C3 -62.33(15) . . . . ?
C5 C1 C2 Ru1 62.06(15) . . . . ?
C1 C2 C3 C4 -0.2(2) . . . . ?
Ru1 C2 C3 C4 -61.75(15) . . . . ?
C1 C2 C3 Ru1 61.54(14) . . . . ?
C2 C3 C4 C5 0.6(2) . . . . ?
Ru1 C3 C4 C5 -60.42(15) . . . . ?
C2 C3 C4 Ru1 61.02(15) . . . . ?
C2 C1 C5 C4 0.6(2) . . . . ?
Ru1 C1 C5 C4 62.76(15) . . . . ?
C2 C1 C5 Ru1 -62.11(15) . . . . ?
C3 C4 C5 C1 -0.8(2) . . . . ?
Ru1 C4 C5 C1 -61.91(15) . . . . ?
C3 C4 C5 Ru1 61.14(15) . . . . ?
C8 N2 C6 N1 0.9(2) . . . . ?
C21 N2 C6 N1 -169.12(17) . . . . ?
C8 N2 C6 Ru1 -179.20(14) . . . . ?
C21 N2 C6 Ru1 10.7(3) . . . . ?
C7 N1 C6 N2 -0.9(2) . . . . ?
C9 N1 C6 N2 172.36(18) . . . . ?
C7 N1 C6 Ru1 179.25(14) . . . . ?
C9 N1 C6 Ru1 -7.5(3) . . . . ?
C6 N1 C7 C8 0.5(2) . . . . ?
C9 N1 C7 C8 -173.57(18) . . . . ?
N1 C7 C8 N2 0.1(2) . . . . ?
C6 N2 C8 C7 -0.7(2) . . . . ?
C21 N2 C8 C7 170.47(18) . . . . ?
C6 N1 C9 C10 99.3(2) . . . . ?
C7 N1 C9 C10 -87.8(2) . . . . ?
C6 N1 C9 C14 -88.8(2) . . . . ?
C7 N1 C9 C14 84.1(2) . . . . ?
C14 C9 C10 C11 5.9(3) . . . . ?
N1 C9 C10 C11 177.40(18) . . . . ?
C14 C9 C10 C15 -168.40(19) . . . . ?
N1 C9 C10 C15 3.1(3) . . . . ?
C9 C10 C11 C12 -2.0(3) . . . . ?
C15 C10 C11 C12 172.4(2) . . . . ?
C10 C11 C12 C13 -2.0(4) . . . . ?
C11 C12 C13 C14 2.3(4) . . . . ?
C12 C13 C14 C9 1.4(3) . . . . ?
C12 C13 C14 C18 -176.5(2) . . . . ?
C10 C9 C14 C13 -5.6(3) . . . . ?
N1 C9 C14 C13 -177.21(19) . . . . ?
C10 C9 C14 C18 172.3(2) . . . . ?
N1 C9 C14 C18 0.7(3) . . . . ?
C9 C10 C15 C16 -139.8(2) . . . . ?
C11 C10 C15 C16 46.0(3) . . . . ?
C9 C10 C15 C17 96.7(2) . . . . ?
C11 C10 C15 C17 -77.5(3) . . . . ?
C13 C14 C18 C20 -38.4(3) . . . . ?
C9 C14 C18 C20 143.8(2) . . . . ?
C13 C14 C18 C19 85.1(3) . . . . ?
C9 C14 C18 C19 -92.7(3) . . . . ?
C6 N2 C21 C22 -108.2(2) . . . . ?
C8 N2 C21 C22 82.2(2) . . . . ?
C6 N2 C21 C26 79.1(2) . . . . ?
C8 N2 C21 C26 -90.5(2) . . . . ?
C26 C21 C22 C23 -6.5(3) . . . . ?
N2 C21 C22 C23 -178.84(17) . . . . ?
C26 C21 C22 C27 169.50(18) . . . . ?
N2 C21 C22 C27 -2.9(3) . . . . ?
C21 C22 C23 C24 2.8(3) . . . . ?
C27 C22 C23 C24 -173.3(2) . . . . ?
C22 C23 C24 C25 1.5(3) . . . . ?
C23 C24 C25 C26 -2.3(3) . . . . ?
C24 C25 C26 C21 -1.2(3) . . . . ?
C24 C25 C26 C30 175.4(2) . . . . ?
C22 C21 C26 C25 5.7(3) . . . . ?
N2 C21 C26 C25 178.17(17) . . . . ?
C22 C21 C26 C30 -170.82(19) . . . . ?
N2 C21 C26 C30 1.7(3) . . . . ?
C23 C22 C27 C29 -52.8(3) . . . . ?
C21 C22 C27 C29 131.4(2) . . . . ?
C23 C22 C27 C28 71.3(3) . . . . ?
C21 C22 C27 C28 -104.5(2) . . . . ?
C25 C26 C30 C31 -80.3(3) . . . . ?
C21 C26 C30 C31 96.0(2) . . . . ?
C25 C26 C30 C32 42.9(3) . . . . ?
C21 C26 C30 C32 -140.7(2) . . . . ?
C37 N3 C33 C34 0.7(3) . . . . ?
Ru1 N3 C33 C34 -167.63(18) . . . . ?
N3 C33 C34 C35 -0.9(4) . . . . ?
C33 C34 C35 C36 0.5(4) . . . . ?
C34 C35 C36 C37 0.1(4) . . . . ?
C33 N3 C37 C36 0.0(4) . . . . ?
Ru1 N3 C37 C36 168.7(2) . . . . ?
C35 C36 C37 N3 -0.4(4) . . . . ?
C42 N4 C38 C39 3.5(4) . . . . ?
Ru1 N4 C38 C39 169.2(2) . . . . ?
N4 C38 C39 C40 -0.8(4) . . . . ?
C38 C39 C40 C41 -2.6(4) . . . . ?
C39 C40 C41 C42 3.1(4) . . . . ?
C38 N4 C42 C41 -3.0(3) . . . . ?
Ru1 N4 C42 C41 -169.54(19) . . . . ?
C40 C41 C42 N4 -0.3(4) . . . . ?
C46 O1 C43 C44 16.4(4) . . . . ?
O1 C43 C44 C45 -23.8(4) . . . . ?
C43 C44 C45 C46 22.1(4) . . . . ?
C43 O1 C46 C45 -1.7(4) . . . . ?
C44 C45 C46 O1 -13.2(5) . . . . ?

_refine_diff_density_max         2.654
_refine_diff_density_min         -0.780
_refine_diff_density_rms         0.072

####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1431452'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2015-11-15 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H43 Cl3 N2 Ru Si, 0.5(C4 H10 O)'
_chemical_formula_sum            'C34 H48 Cl3 N2 O0.50 Ru Si'
_chemical_formula_weight         728.25

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'
Si Si 0.0817 0.0704 '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'
_symmetry_space_group_name_Hall  '-P 1'

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

_cell_length_a                   11.0661(6)
_cell_length_b                   18.8580(10)
_cell_length_c                   18.9389(10)
_cell_angle_alpha                110.994(2)
_cell_angle_beta                 102.836(2)
_cell_angle_gamma                97.069(2)
_cell_volume                     3507.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9984
_cell_measurement_theta_min      2.619
_cell_measurement_theta_max      30.401

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1516
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9039
_exptl_absorpt_correction_T_max  0.9711
_exptl_absorpt_process_details   'SADABS (Bruker, 2013)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(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 D8 Venture'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            40608
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.96
_diffrn_reflns_theta_max         27.00
_reflns_number_total             15272
_reflns_number_gt                11291
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'

_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)+(0.0628P)²+3.6412P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15272
_refine_ls_number_parameters     767
_refine_ls_number_restraints     17
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0491
_refine_ls_wR_factor_ref         0.1294
_refine_ls_wR_factor_gt          0.1171
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.049
_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 0.18116(3) 0.491446(18) 0.347053(17) 0.01870(9) Uani 1 1 d . . .
H1A H 0.116(4) 0.541(2) 0.314(2) 0.032(11) Uiso 1 1 d . . .
H1B H 0.111(6) 0.408(4) 0.300(4) 0.10(2) Uiso 1 1 d . . .
Ru2 Ru 0.81216(3) -0.051476(17) 0.310043(17) 0.01858(9) Uani 1 1 d . . .
H2A H 0.786(5) -0.090(3) 0.222(3) 0.057(15) Uiso 1 1 d . . .
H2B H 0.935(4) 0.011(3) 0.348(3) 0.039(12) Uiso 1 1 d . . .
Si1 Si -0.03140(10) 0.47213(7) 0.32055(7) 0.0248(2) Uani 1 1 d . . .
Si2 Si 0.98556(10) -0.07180(6) 0.26870(6) 0.0217(2) Uani 1 1 d . . .
Cl11 Cl -0.09615(12) 0.56712(7) 0.38678(7) 0.0408(3) Uani 1 1 d . . .
Cl12 Cl -0.12438(10) 0.38638(6) 0.34899(7) 0.0345(2) Uani 1 1 d . . .
Cl13 Cl -0.14558(11) 0.44771(7) 0.20823(7) 0.0394(3) Uani 1 1 d . . .
Cl21 Cl 0.97171(12) -0.17985(6) 0.17843(6) 0.0374(3) Uani 1 1 d . . .
Cl22 Cl 1.14326(10) -0.07283(7) 0.35380(6) 0.0345(3) Uani 1 1 d . . .
Cl23 Cl 1.06795(10) 0.00333(6) 0.22690(6) 0.0305(2) Uani 1 1 d . . .
N11 N 0.2582(3) 0.51668(18) 0.20973(18) 0.0231(7) Uani 1 1 d . . .
N12 N 0.2239(3) 0.39522(18) 0.18628(17) 0.0201(7) Uani 1 1 d . . .
N21 N 0.6939(3) 0.02871(17) 0.20181(16) 0.0164(6) Uani 1 1 d . . .
N22 N 0.7898(3) 0.11258(17) 0.31939(17) 0.0168(6) Uani 1 1 d . . .
C11 C 0.2272(4) 0.5746(3) 0.4706(2) 0.0402(12) Uani 1 1 d . . .
H11 H 0.1784 0.6145 0.4918 0.048 Uiso 1 1 calc R . .
C12 C 0.3352(4) 0.5873(3) 0.4448(2) 0.0328(10) Uani 1 1 d . . .
H12 H 0.3748 0.6372 0.4433 0.039 Uiso 1 1 calc R . .
C13 C 0.3836(4) 0.5182(2) 0.4277(2) 0.0287(9) Uani 1 1 d . . .
H13 H 0.4615 0.5104 0.4100 0.034 Uiso 1 1 calc R . .
C14 C 0.3046(4) 0.4636(3) 0.4422(2) 0.0352(11) Uani 1 1 d . . .
H14 H 0.3176 0.4107 0.4374 0.042 Uiso 1 1 calc R . .
C15 C 0.2070(4) 0.4984(3) 0.4684(2) 0.0378(11) Uani 1 1 d . . .
H15 H 0.1419 0.4752 0.4878 0.045 Uiso 1 1 calc R . .
C16 C 0.2254(3) 0.4662(2) 0.2421(2) 0.0187(8) Uani 1 1 d . . .
C17 C 0.2758(4) 0.4788(2) 0.1364(2) 0.0320(10) Uani 1 1 d . . .
H17 H 0.2988 0.5022 0.1030 0.038 Uiso 1 1 calc R . .
C18 C 0.2541(4) 0.4030(2) 0.1219(2) 0.0296(9) Uani 1 1 d . . .
H18 H 0.2586 0.3620 0.0759 0.036 Uiso 1 1 calc R . .
C21 C 0.7864(5) -0.1574(3) 0.3343(3) 0.0449(13) Uani 1 1 d . . .
H21 H 0.8191 -0.2050 0.3104 0.054 Uiso 1 1 calc R . .
C22 C 0.6623(5) -0.1466(3) 0.3072(3) 0.0423(12) Uani 1 1 d . . .
H22 H 0.5933 -0.1842 0.2596 0.051 Uiso 1 1 calc R . .
C23 C 0.6510(4) -0.0763(3) 0.3625(3) 0.0353(11) Uani 1 1 d . . .
H23 H 0.5733 -0.0542 0.3600 0.042 Uiso 1 1 calc R . .
C24 C 0.7666(4) -0.0430(3) 0.4228(3) 0.0363(11) Uani 1 1 d . . .
H24 H 0.7842 0.0056 0.4715 0.044 Uiso 1 1 calc R . .
C25 C 0.8496(4) -0.0933(3) 0.4055(3) 0.0395(12) Uani 1 1 d . . .
H25 H 0.9353 -0.0874 0.4409 0.047 Uiso 1 1 calc R . .
C26 C 0.7588(3) 0.0339(2) 0.2749(2) 0.0150(7) Uani 1 1 d . . .
C27 C 0.6897(4) 0.1018(2) 0.2020(2) 0.0212(8) Uani 1 1 d . . .
H27 H 0.6511 0.1126 0.1580 0.025 Uiso 1 1 calc R . .
C28 C 0.7498(4) 0.1542(2) 0.2750(2) 0.0209(8) Uani 1 1 d . . .
H28 H 0.7626 0.2093 0.2929 0.025 Uiso 1 1 calc R . .
C31 C 0.2854(4) 0.6010(2) 0.2465(2) 0.0247(9) Uani 1 1 d . . .
C32 C 0.1895(4) 0.6394(2) 0.2287(2) 0.0298(10) Uani 1 1 d . . .
C33 C 0.2220(5) 0.7208(3) 0.2611(2) 0.0342(11) Uani 1 1 d . . .
H33 H 0.1598 0.7488 0.2498 0.041 Uiso 1 1 calc R . .
C34 C 0.3426(5) 0.7612(2) 0.3091(3) 0.0355(11) Uani 1 1 d . . .
H34 H 0.3622 0.8166 0.3311 0.043 Uiso 1 1 calc R . .
C35 C 0.4349(5) 0.7218(2) 0.3254(3) 0.0341(11) Uani 1 1 d . . .
H35 H 0.5174 0.7505 0.3588 0.041 Uiso 1 1 calc R . .
C36 C 0.4096(4) 0.6412(2) 0.2939(2) 0.0276(9) Uani 1 1 d . . .
C37 C 0.0585(5) 0.5963(3) 0.1748(2) 0.0379(11) Uani 1 1 d . . .
H37 H 0.0485 0.5403 0.1665 0.046 Uiso 1 1 calc R . .
C38 C 0.5153(4) 0.5991(3) 0.3082(2) 0.0314(10) Uani 1 1 d . . .
H38 H 0.4751 0.5466 0.3037 0.038 Uiso 1 1 calc R . .
C41 C 0.2144(4) 0.3216(2) 0.1942(2) 0.0197(8) Uani 1 1 d . . .
C42 C 0.0969(4) 0.2680(2) 0.1618(2) 0.0235(8) Uani 1 1 d . . .
C43 C 0.0938(4) 0.1968(2) 0.1677(2) 0.0291(9) Uani 1 1 d . . .
H43 H 0.0151 0.1599 0.1479 0.035 Uiso 1 1 calc R . .
C44 C 0.2015(4) 0.1781(2) 0.2015(2) 0.0323(10) Uani 1 1 d . . .
H44 H 0.1971 0.1286 0.2042 0.039 Uiso 1 1 calc R . .
C45 C 0.3169(4) 0.2316(2) 0.2316(2) 0.0297(9) Uani 1 1 d . . .
H45 H 0.3911 0.2180 0.2545 0.036 Uiso 1 1 calc R . .
C46 C 0.3264(4) 0.3047(2) 0.2289(2) 0.0217(8) Uani 1 1 d . . .
C47 C -0.0207(4) 0.2851(2) 0.1188(2) 0.0300(9) Uani 1 1 d . . .
H47 H -0.0077 0.3430 0.1377 0.036 Uiso 1 1 calc R . .
C48 C 0.4541(4) 0.3599(2) 0.2576(2) 0.0285(9) Uani 1 1 d . . .
H48 H 0.4390 0.4128 0.2638 0.034 Uiso 1 1 calc R . .
C51 C -0.0458(5) 0.6275(3) 0.2100(3) 0.0452(12) Uani 1 1 d . . .
H51A H -0.0372 0.6223 0.2604 0.068 Uiso 1 1 calc R . .
H51B H -0.1293 0.5977 0.1734 0.068 Uiso 1 1 calc R . .
H51C H -0.0375 0.6826 0.2186 0.068 Uiso 1 1 calc R . .
C52 C 0.0432(6) 0.6016(4) 0.0939(3) 0.0631(17) Uani 1 1 d . . .
H52A H 0.1063 0.5781 0.0701 0.095 Uiso 1 1 calc R . .
H52B H 0.0561 0.6564 0.1012 0.095 Uiso 1 1 calc R . .
H52C H -0.0424 0.5737 0.0592 0.095 Uiso 1 1 calc R . .
C53 C 0.5863(5) 0.5867(3) 0.2448(3) 0.0521(14) Uani 1 1 d . . .
H53A H 0.5253 0.5593 0.1923 0.078 Uiso 1 1 calc R . .
H53B H 0.6488 0.5555 0.2524 0.078 Uiso 1 1 calc R . .
H53C H 0.6300 0.6374 0.2495 0.078 Uiso 1 1 calc R . .
C54 C 0.6117(4) 0.6407(3) 0.3900(3) 0.0416(12) Uani 1 1 d . . .
H54A H 0.5667 0.6530 0.4305 0.062 Uiso 1 1 calc R . .
H54B H 0.6618 0.6890 0.3933 0.062 Uiso 1 1 calc R . .
H54C H 0.6685 0.6067 0.3987 0.062 Uiso 1 1 calc R . .
C55 C -0.1405(4) 0.2557(3) 0.1360(3) 0.0460(13) Uani 1 1 d . . .
H55A H -0.1262 0.2747 0.1933 0.069 Uiso 1 1 calc R . .
H55B H -0.1614 0.1986 0.1129 0.069 Uiso 1 1 calc R . .
H55C H -0.2110 0.2748 0.1130 0.069 Uiso 1 1 calc R . .
C56 C -0.0374(5) 0.2526(3) 0.0296(3) 0.0446(12) Uani 1 1 d . . .
H56A H 0.0392 0.2742 0.0196 0.067 Uiso 1 1 calc R . .
H56B H -0.1110 0.2671 0.0032 0.067 Uiso 1 1 calc R . .
H56C H -0.0510 0.1957 0.0090 0.067 Uiso 1 1 calc R . .
C57 C 0.5282(5) 0.3359(3) 0.1966(3) 0.0483(13) Uani 1 1 d . . .
H57A H 0.4779 0.3339 0.1460 0.073 Uiso 1 1 calc R . .
H57B H 0.5451 0.2844 0.1898 0.073 Uiso 1 1 calc R . .
H57C H 0.6089 0.3740 0.2150 0.073 Uiso 1 1 calc R . .
C58 C 0.5347(4) 0.3664(3) 0.3374(3) 0.0387(11) Uani 1 1 d . . .
H58A H 0.4836 0.3754 0.3746 0.058 Uiso 1 1 calc R . .
H58B H 0.6086 0.4100 0.3578 0.058 Uiso 1 1 calc R . .
H58C H 0.5635 0.3179 0.3308 0.058 Uiso 1 1 calc R . .
C61 C 0.6235(3) -0.0411(2) 0.1326(2) 0.0183(8) Uani 1 1 d . . .
C62 C 0.6722(4) -0.0654(2) 0.0683(2) 0.0223(8) Uani 1 1 d . . .
C63 C 0.5966(4) -0.1293(3) 0.0007(2) 0.0321(10) Uani 1 1 d . . .
H63 H 0.6276 -0.1484 -0.0440 0.038 Uiso 1 1 calc R . .
C64 C 0.4790(4) -0.1647(3) -0.0023(3) 0.0384(11) Uani 1 1 d . . .
H64 H 0.4290 -0.2075 -0.0492 0.046 Uiso 1 1 calc R . .
C65 C 0.4321(4) -0.1392(2) 0.0615(3) 0.0331(10) Uani 1 1 d . . .
H65 H 0.3503 -0.1650 0.0581 0.040 Uiso 1 1 calc R . .
C66 C 0.5015(4) -0.0767(2) 0.1308(2) 0.0222(8) Uani 1 1 d . . .
C67 C 0.7974(4) -0.0243(2) 0.0672(2) 0.0255(9) Uani 1 1 d . . .
H67 H 0.8447 0.0125 0.1226 0.031 Uiso 1 1 calc R . .
C68 C 0.4488(4) -0.0471(2) 0.2005(2) 0.0250(9) Uani 1 1 d . . .
H68 H 0.5218 -0.0273 0.2496 0.030 Uiso 1 1 calc R . .
C71 C 0.8413(4) 0.1507(2) 0.4047(2) 0.0185(8) Uani 1 1 d . . .
C72 C 0.9706(4) 0.1836(2) 0.4379(2) 0.0211(8) Uani 1 1 d . . .
C73 C 1.0137(4) 0.2234(2) 0.5198(2) 0.0270(9) Uani 1 1 d . . .
H73 H 1.1015 0.2471 0.5443 0.032 Uiso 1 1 calc R . .
C74 C 0.9321(4) 0.2293(2) 0.5659(2) 0.0319(10) Uani 1 1 d . . .
H74 H 0.9639 0.2557 0.6216 0.038 Uiso 1 1 calc R . .
C75 C 0.8047(4) 0.1968(2) 0.5310(2) 0.0284(9) Uani 1 1 d . . .
H75 H 0.7490 0.2019 0.5633 0.034 Uiso 1 1 calc R . .
C76 C 0.7549(4) 0.1568(2) 0.4498(2) 0.0229(8) Uani 1 1 d . . .
C77 C 1.0645(4) 0.1809(2) 0.3896(2) 0.0225(8) Uani 1 1 d . . .
H77 H 1.0201 0.1438 0.3339 0.027 Uiso 1 1 calc R . .
C78 C 0.6125(4) 0.1267(2) 0.4129(2) 0.0266(9) Uani 1 1 d . . .
H78 H 0.5978 0.0834 0.3603 0.032 Uiso 1 1 calc R . .
C81 C 0.8801(4) -0.0808(3) 0.0371(3) 0.0388(11) Uani 1 1 d . . .
H81A H 0.8862 -0.1152 0.0656 0.058 Uiso 1 1 calc R . .
H81B H 0.9653 -0.0514 0.0459 0.058 Uiso 1 1 calc R . .
H81C H 0.8418 -0.1122 -0.0195 0.058 Uiso 1 1 calc R . .
C82 C 0.7739(5) 0.0231(3) 0.0174(3) 0.0413(12) Uani 1 1 d . . .
H82A H 0.7200 0.0586 0.0369 0.062 Uiso 1 1 calc R . .
H82B H 0.7314 -0.0121 -0.0377 0.062 Uiso 1 1 calc R . .
H82C H 0.8553 0.0534 0.0209 0.062 Uiso 1 1 calc R . .
C83 C 0.3867(4) 0.0209(3) 0.2003(3) 0.0345(10) Uani 1 1 d . . .
H83A H 0.4472 0.0614 0.1971 0.052 Uiso 1 1 calc R . .
H83B H 0.3620 0.0424 0.2490 0.052 Uiso 1 1 calc R . .
H83C H 0.3111 0.0024 0.1546 0.052 Uiso 1 1 calc R . .
C84 C 0.3536(4) -0.1100(3) 0.2051(3) 0.0403(11) Uani 1 1 d . . .
H84A H 0.3903 -0.1554 0.2011 0.060 Uiso 1 1 calc R . .
H84B H 0.2755 -0.1252 0.1616 0.060 Uiso 1 1 calc R . .
H84C H 0.3337 -0.0896 0.2556 0.060 Uiso 1 1 calc R . .
C85 C 1.1798(4) 0.1522(3) 0.4197(3) 0.0352(10) Uani 1 1 d . . .
H85A H 1.1516 0.1025 0.4232 0.053 Uiso 1 1 calc R . .
H85B H 1.2301 0.1907 0.4720 0.053 Uiso 1 1 calc R . .
H85C H 1.2321 0.1448 0.3831 0.053 Uiso 1 1 calc R . .
C86 C 1.1061(5) 0.2615(3) 0.3896(3) 0.0377(11) Uani 1 1 d . . .
H86A H 1.0318 0.2771 0.3653 0.057 Uiso 1 1 calc R . .
H86B H 1.1678 0.2595 0.3593 0.057 Uiso 1 1 calc R . .
H86C H 1.1453 0.2995 0.4440 0.057 Uiso 1 1 calc R . .
C87 C 0.5515(4) 0.1904(3) 0.3995(3) 0.0395(11) Uani 1 1 d . . .
H87A H 0.5876 0.2074 0.3639 0.059 Uiso 1 1 calc R . .
H87B H 0.5679 0.2347 0.4501 0.059 Uiso 1 1 calc R . .
H87C H 0.4595 0.1702 0.3758 0.059 Uiso 1 1 calc R . .
C88 C 0.5462(4) 0.0945(3) 0.4619(3) 0.0390(11) Uani 1 1 d . . .
H88A H 0.5911 0.0574 0.4756 0.058 Uiso 1 1 calc R . .
H88B H 0.4580 0.0681 0.4310 0.058 Uiso 1 1 calc R . .
H88C H 0.5472 0.1375 0.5104 0.058 Uiso 1 1 calc R . .
C2 C 0.3765(10) 0.5874(6) -0.0147(6) 0.144(2) Uiso 1 1 d D . .
H2E H 0.3200 0.6132 -0.0406 0.173 Uiso 0.35 1 calc PR A 2
H2F H 0.3793 0.6063 0.0417 0.173 Uiso 0.35 1 calc PR A 2
H2C H 0.4274 0.6168 -0.0342 0.173 Uiso 0.65 1 d PR A 1
H2D H 0.3678 0.5328 -0.0442 0.173 Uiso 0.65 1 d PR A 1
C1A C 0.2504(11) 0.6095(10) -0.0155(9) 0.144(2) Uiso 0.65 1 d PD B 1
H1AA H 0.2265 0.6293 -0.0567 0.216 Uiso 0.65 1 calc PR B 1
H1AB H 0.2570 0.6500 0.0360 0.216 Uiso 0.65 1 calc PR B 1
H1AC H 0.1857 0.5636 -0.0263 0.216 Uiso 0.65 1 calc PR B 1
O1A O 0.4320(8) 0.6090(6) 0.0656(6) 0.144(2) Uiso 0.65 1 d PD B 1
C4A C 0.4687(13) 0.6889(8) 0.1064(9) 0.144(2) Uiso 0.65 1 d PD B 1
H4AA H 0.4657 0.7042 0.1617 0.173 Uiso 0.65 1 calc PR B 1
H4AB H 0.4133 0.7154 0.0807 0.173 Uiso 0.65 1 calc PR B 1
C5A C 0.6026(12) 0.7084(9) 0.1034(10) 0.144(2) Uiso 0.65 1 d PD B 1
H5AA H 0.6343 0.7651 0.1276 0.216 Uiso 0.65 1 calc PR B 1
H5AB H 0.6042 0.6885 0.0483 0.216 Uiso 0.65 1 calc PR B 1
H5AC H 0.6567 0.6844 0.1323 0.216 Uiso 0.65 1 calc PR B 1
C1B C 0.331(2) 0.5004(8) -0.0545(17) 0.144(2) Uiso 0.35 1 d PD B 2
H1BA H 0.3016 0.4846 -0.1118 0.216 Uiso 0.35 1 calc PR B 2
H1BB H 0.2601 0.4841 -0.0362 0.216 Uiso 0.35 1 calc PR B 2
H1BC H 0.4003 0.4756 -0.0414 0.216 Uiso 0.35 1 calc PR B 2
O1B O 0.4966(13) 0.6020(10) -0.0227(10) 0.144(2) Uiso 0.35 1 d PD B 2
C4B C 0.5937(16) 0.6062(13) 0.0393(16) 0.144(2) Uiso 0.35 1 d PD B 2
H4BA H 0.6443 0.5670 0.0214 0.173 Uiso 0.35 1 calc PR B 2
H4BB H 0.5607 0.5985 0.0810 0.173 Uiso 0.35 1 calc PR B 2
C5B C 0.672(2) 0.6884(14) 0.0681(16) 0.144(2) Uiso 0.35 1 d PD B 2
H5BA H 0.7624 0.6875 0.0780 0.216 Uiso 0.35 1 calc PR B 2
H5BB H 0.6564 0.7214 0.1170 0.216 Uiso 0.35 1 calc PR B 2
H5BC H 0.6475 0.7093 0.0278 0.216 Uiso 0.35 1 calc PR 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 C16 2.057(4) . ?
Ru1 C11 2.199(4) . ?
Ru1 C15 2.206(4) . ?
Ru1 C12 2.245(4) . ?
Ru1 Si1 2.2474(11) . ?
Ru1 C14 2.269(4) . ?
Ru1 C13 2.293(4) . ?
Ru1 H1A 1.47(4) . ?
Ru1 H1B 1.50(6) . ?
Ru2 C26 2.052(4) . ?
Ru2 C25 2.198(4) . ?
Ru2 C21 2.204(4) . ?
Ru2 Si2 2.2529(11) . ?
Ru2 C24 2.257(4) . ?
Ru2 C22 2.266(4) . ?
Ru2 C23 2.303(4) . ?
Ru2 H2A 1.50(5) . ?
Ru2 H2B 1.52(4) . ?
Si1 H1A 2.02(4) . ?
Si1 Cl13 2.0723(16) . ?
Si1 Cl11 2.0979(15) . ?
Si1 Cl12 2.1035(15) . ?
Si1 H1B 2.12(6) . ?
Si2 H2B 1.98(4) . ?
Si2 Cl23 2.0667(14) . ?
Si2 Cl21 2.0997(15) . ?
Si2 Cl22 2.1035(15) . ?
Si2 H2A 2.12(5) . ?
Si2 H2B 1.98(4) . ?
N11 C16 1.358(5) . ?
N11 C17 1.386(5) . ?
N11 C31 1.449(5) . ?
N12 C16 1.372(5) . ?
N12 C18 1.385(5) . ?
N12 C41 1.443(5) . ?
N21 C26 1.373(4) . ?
N21 C27 1.383(5) . ?
N21 C61 1.454(4) . ?
N22 C26 1.370(5) . ?
N22 C28 1.383(5) . ?
N22 C71 1.453(4) . ?
C11 C15 1.411(7) . ?
C11 C12 1.413(6) . ?
C11 H11 1.0000 . ?
C12 C13 1.427(6) . ?
C12 H12 1.0000 . ?
C13 C14 1.409(6) . ?
C13 H13 1.0000 . ?
C14 C15 1.423(7) . ?
C14 H14 1.0000 . ?
C15 H15 1.0000 . ?
C17 C18 1.335(6) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C21 C25 1.406(7) . ?
C21 C22 1.422(7) . ?
C21 H21 1.0000 . ?
C22 C23 1.404(7) . ?
C22 H22 1.0000 . ?
C23 C24 1.404(6) . ?
C23 H23 1.0000 . ?
C24 C25 1.405(7) . ?
C24 H24 1.0000 . ?
C25 H25 1.0000 . ?
C27 C28 1.335(5) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C31 C32 1.403(6) . ?
C31 C36 1.406(6) . ?
C32 C33 1.398(6) . ?
C32 C37 1.504(6) . ?
C33 C34 1.380(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.379(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(6) . ?
C35 H35 0.9500 . ?
C36 C38 1.521(6) . ?
C37 C51 1.533(7) . ?
C37 C52 1.544(6) . ?
C37 H37 1.0000 . ?
C38 C54 1.531(6) . ?
C38 C53 1.541(6) . ?
C38 H38 1.0000 . ?
C41 C46 1.399(5) . ?
C41 C42 1.402(5) . ?
C42 C43 1.383(6) . ?
C42 C47 1.511(6) . ?
C43 C44 1.371(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.385(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.389(5) . ?
C45 H45 0.9500 . ?
C46 C48 1.506(5) . ?
C47 C55 1.521(6) . ?
C47 C56 1.535(6) . ?
C47 H47 1.0000 . ?
C48 C58 1.529(6) . ?
C48 C57 1.532(6) . ?
C48 H48 1.0000 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C61 C62 1.392(5) . ?
C61 C66 1.420(5) . ?
C62 C63 1.401(5) . ?
C62 C67 1.510(5) . ?
C63 C64 1.368(6) . ?
C63 H63 0.9500 . ?
C64 C65 1.373(6) . ?
C64 H64 0.9500 . ?
C65 C66 1.387(5) . ?
C65 H65 0.9500 . ?
C66 C68 1.512(5) . ?
C67 C82 1.520(6) . ?
C67 C81 1.528(6) . ?
C67 H67 1.0000 . ?
C68 C84 1.526(6) . ?
C68 C83 1.527(6) . ?
C68 H68 1.0000 . ?
C71 C72 1.390(5) . ?
C71 C76 1.405(5) . ?
C72 C73 1.395(5) . ?
C72 C77 1.523(5) . ?
C73 C74 1.377(6) . ?
C73 H73 0.9500 . ?
C74 C75 1.372(6) . ?
C74 H74 0.9500 . ?
C75 C76 1.389(5) . ?
C75 H75 0.9500 . ?
C76 C78 1.517(5) . ?
C77 C85 1.522(6) . ?
C77 C86 1.533(6) . ?
C77 H77 1.0000 . ?
C78 C87 1.518(6) . ?
C78 C88 1.537(6) . ?
C78 H78 1.0000 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C2 O1B 1.377(10) . ?
C2 O1A 1.391(9) . ?
C2 C1B 1.502(7) . ?
C2 C1A 1.503(7) . ?
C2 H2E 0.9900 . ?
C2 H2F 0.9900 . ?
C2 H2C 0.9600 . ?
C2 H2D 0.9599 . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
O1A C4A 1.380(10) . ?
C4A C5A 1.501(7) . ?
C4A H4AA 0.9900 . ?
C4A H4AB 0.9900 . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C5A H5AC 0.9800 . ?
C1B H2D 0.6305 . ?
C1B H1BA 0.9800 . ?
C1B H1BB 0.9800 . ?
C1B H1BC 0.9800 . ?
O1B C4B 1.375(11) . ?
O1B H2C 0.8568 . ?
C4B C5B 1.517(7) . ?
C4B H4BA 0.9900 . ?
C4B H4BB 0.9900 . ?
C5B H5BA 0.9800 . ?
C5B H5BB 0.9800 . ?
C5B H5BC 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
C16 Ru1 C11 145.47(16) . . ?
C16 Ru1 C15 155.28(16) . . ?
C11 Ru1 C15 37.37(18) . . ?
C16 Ru1 C12 109.75(15) . . ?
C11 Ru1 C12 37.05(15) . . ?
C15 Ru1 C12 62.01(16) . . ?
C16 Ru1 Si1 107.97(10) . . ?
C11 Ru1 Si1 96.99(12) . . ?
C15 Ru1 Si1 93.09(12) . . ?
C12 Ru1 Si1 130.43(12) . . ?
C16 Ru1 C14 118.25(16) . . ?
C11 Ru1 C14 61.62(19) . . ?
C15 Ru1 C14 37.04(17) . . ?
C12 Ru1 C14 61.15(17) . . ?
Si1 Ru1 C14 123.08(11) . . ?
C16 Ru1 C13 97.75(14) . . ?
C11 Ru1 C13 61.25(17) . . ?
C15 Ru1 C13 61.20(15) . . ?
C12 Ru1 C13 36.65(16) . . ?
Si1 Ru1 C13 154.11(11) . . ?
C14 Ru1 C13 35.97(15) . . ?
C16 Ru1 H1A 77.3(16) . . ?
C11 Ru1 H1A 94.9(16) . . ?
C15 Ru1 H1A 125.5(16) . . ?
C12 Ru1 H1A 97.1(16) . . ?
Si1 Ru1 H1A 61.6(15) . . ?
C14 Ru1 H1A 155.9(16) . . ?
C13 Ru1 H1A 129.5(16) . . ?
C16 Ru1 H1B 78(2) . . ?
C11 Ru1 H1B 136(2) . . ?
C15 Ru1 H1B 101(2) . . ?
C12 Ru1 H1B 154(2) . . ?
Si1 Ru1 H1B 65(2) . . ?
C14 Ru1 H1B 93(2) . . ?
C13 Ru1 H1B 119(2) . . ?
H1A Ru1 H1B 109(3) . . ?
C26 Ru2 C25 147.12(17) . . ?
C26 Ru2 C21 157.06(16) . . ?
C25 Ru2 C21 37.25(19) . . ?
C26 Ru2 Si2 103.74(9) . . ?
C25 Ru2 Si2 99.11(13) . . ?
C21 Ru2 Si2 94.90(13) . . ?
C26 Ru2 C24 112.09(15) . . ?
C25 Ru2 C24 36.74(17) . . ?
C21 Ru2 C24 61.47(19) . . ?
Si2 Ru2 C24 132.31(11) . . ?
C26 Ru2 C22 119.99(16) . . ?
C25 Ru2 C22 61.46(18) . . ?
C21 Ru2 C22 37.08(17) . . ?
Si2 Ru2 C22 124.42(14) . . ?
C24 Ru2 C22 60.53(18) . . ?
C26 Ru2 C23 100.49(14) . . ?
C25 Ru2 C23 60.56(16) . . ?
C21 Ru2 C23 60.77(17) . . ?
Si2 Ru2 C23 155.54(12) . . ?
C24 Ru2 C23 35.85(16) . . ?
C22 Ru2 C23 35.79(17) . . ?
C26 Ru2 H2A 78.0(19) . . ?
C25 Ru2 H2A 133.7(19) . . ?
C21 Ru2 H2A 98.3(19) . . ?
Si2 Ru2 H2A 65.3(19) . . ?
C24 Ru2 H2A 151.1(19) . . ?
C22 Ru2 H2A 90.7(19) . . ?
C23 Ru2 H2A 117.5(19) . . ?
C26 Ru2 H2B 79.0(17) . . ?
C25 Ru2 H2B 92.9(16) . . ?
C21 Ru2 H2B 122.7(16) . . ?
Si2 Ru2 H2B 59.6(16) . . ?
C24 Ru2 H2B 97.1(16) . . ?
C22 Ru2 H2B 154.0(16) . . ?
C23 Ru2 H2B 129.6(16) . . ?
H2A Ru2 H2B 112(2) . . ?
H1A Si1 Cl13 95.4(12) . . ?
H1A Si1 Cl11 93.1(12) . . ?
Cl13 Si1 Cl11 100.12(7) . . ?
H1A Si1 Cl12 157.2(12) . . ?
Cl13 Si1 Cl12 101.77(7) . . ?
Cl11 Si1 Cl12 98.42(6) . . ?
H1A Si1 H1B 72(2) . . ?
Cl13 Si1 H1B 104.0(17) . . ?
Cl11 Si1 H1B 152.4(17) . . ?
Cl12 Si1 H1B 89.7(17) . . ?
H1A Si1 Ru1 40.0(12) . . ?
Cl13 Si1 Ru1 121.09(6) . . ?
Cl11 Si1 Ru1 114.45(6) . . ?
Cl12 Si1 Ru1 117.34(6) . . ?
H1B Si1 Ru1 40.2(17) . . ?
H2B Si2 Cl23 94.0(12) . . ?
H2B Si2 Cl21 159.2(12) . . ?
Cl23 Si2 Cl21 100.74(6) . . ?
H2B Si2 Cl22 92.7(13) . . ?
Cl23 Si2 Cl22 101.38(6) . . ?
Cl21 Si2 Cl22 98.64(6) . . ?
H2B Si2 H2A 75.0(18) . . ?
Cl23 Si2 H2A 106.4(13) . . ?
Cl21 Si2 H2A 86.7(13) . . ?
Cl22 Si2 H2A 150.2(13) . . ?
H2B Si2 Ru2 41.5(12) . . ?
Cl23 Si2 Ru2 119.88(6) . . ?
Cl21 Si2 Ru2 117.65(6) . . ?
Cl22 Si2 Ru2 115.14(5) . . ?
H2A Si2 Ru2 39.9(13) . . ?
H2B Si2 H2B 0(3) . . ?
Cl23 Si2 H2B 94.0(12) . . ?
Cl21 Si2 H2B 159.2(12) . . ?
Cl22 Si2 H2B 92.7(13) . . ?
H2A Si2 H2B 75.0(18) . . ?
Ru2 Si2 H2B 41.5(12) . . ?
C16 N11 C17 112.0(3) . . ?
C16 N11 C31 127.0(3) . . ?
C17 N11 C31 120.7(3) . . ?
C16 N12 C18 111.2(3) . . ?
C16 N12 C41 127.4(3) . . ?
C18 N12 C41 120.6(3) . . ?
C26 N21 C27 111.1(3) . . ?
C26 N21 C61 128.0(3) . . ?
C27 N21 C61 120.5(3) . . ?
C26 N22 C28 112.0(3) . . ?
C26 N22 C71 126.4(3) . . ?
C28 N22 C71 121.1(3) . . ?
C15 C11 C12 108.6(4) . . ?
C15 C11 Ru1 71.6(2) . . ?
C12 C11 Ru1 73.3(2) . . ?
C15 C11 H11 125.6 . . ?
C12 C11 H11 125.6 . . ?
Ru1 C11 H11 125.6 . . ?
C11 C12 C13 107.4(4) . . ?
C11 C12 Ru1 69.7(2) . . ?
C13 C12 Ru1 73.5(2) . . ?
C11 C12 H12 126.2 . . ?
C13 C12 H12 126.2 . . ?
Ru1 C12 H12 126.2 . . ?
C14 C13 C12 108.1(4) . . ?
C14 C13 Ru1 71.1(2) . . ?
C12 C13 Ru1 69.9(2) . . ?
C14 C13 H13 125.9 . . ?
C12 C13 H13 125.9 . . ?
Ru1 C13 H13 125.9 . . ?
C13 C14 C15 108.1(4) . . ?
C13 C14 Ru1 72.9(2) . . ?
C15 C14 Ru1 69.1(2) . . ?
C13 C14 H14 125.9 . . ?
C15 C14 H14 125.9 . . ?
Ru1 C14 H14 125.9 . . ?
C11 C15 C14 107.8(4) . . ?
C11 C15 Ru1 71.0(2) . . ?
C14 C15 Ru1 73.9(2) . . ?
C11 C15 H15 125.9 . . ?
C14 C15 H15 125.9 . . ?
Ru1 C15 H15 125.9 . . ?
N11 C16 N12 103.1(3) . . ?
N11 C16 Ru1 127.7(3) . . ?
N12 C16 Ru1 129.2(3) . . ?
C18 C17 N11 106.5(3) . . ?
C18 C17 H17 126.7 . . ?
N11 C17 H17 126.7 . . ?
C17 C18 N12 107.1(3) . . ?
C17 C18 H18 126.4 . . ?
N12 C18 H18 126.4 . . ?
C25 C21 C22 107.6(5) . . ?
C25 C21 Ru2 71.1(3) . . ?
C22 C21 Ru2 73.8(3) . . ?
C25 C21 H21 126.0 . . ?
C22 C21 H21 126.0 . . ?
Ru2 C21 H21 126.0 . . ?
C23 C22 C21 107.6(5) . . ?
C23 C22 Ru2 73.6(2) . . ?
C21 C22 Ru2 69.1(2) . . ?
C23 C22 H22 126.1 . . ?
C21 C22 H22 126.1 . . ?
Ru2 C22 H22 126.1 . . ?
C24 C23 C22 108.5(4) . . ?
C24 C23 Ru2 70.3(2) . . ?
C22 C23 Ru2 70.7(2) . . ?
C24 C23 H23 125.7 . . ?
C22 C23 H23 125.7 . . ?
Ru2 C23 H23 125.7 . . ?
C23 C24 C25 107.9(5) . . ?
C23 C24 Ru2 73.8(2) . . ?
C25 C24 Ru2 69.3(2) . . ?
C23 C24 H24 126.0 . . ?
C25 C24 H24 126.0 . . ?
Ru2 C24 H24 126.0 . . ?
C24 C25 C21 108.4(4) . . ?
C24 C25 Ru2 73.9(2) . . ?
C21 C25 Ru2 71.6(2) . . ?
C24 C25 H25 125.6 . . ?
C21 C25 H25 125.6 . . ?
Ru2 C25 H25 125.6 . . ?
N22 C26 N21 102.8(3) . . ?
N22 C26 Ru2 127.1(2) . . ?
N21 C26 Ru2 129.9(3) . . ?
C28 C27 N21 107.6(3) . . ?
C28 C27 H27 126.2 . . ?
N21 C27 H27 126.2 . . ?
C27 C28 N22 106.4(3) . . ?
C27 C28 H28 126.8 . . ?
N22 C28 H28 126.8 . . ?
C32 C31 C36 122.6(4) . . ?
C32 C31 N11 118.6(4) . . ?
C36 C31 N11 118.6(4) . . ?
C33 C32 C31 117.0(4) . . ?
C33 C32 C37 120.4(4) . . ?
C31 C32 C37 122.6(4) . . ?
C34 C33 C32 121.2(4) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C35 C34 C33 120.4(4) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 121.2(4) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 H35 119.4 . . ?
C35 C36 C31 117.6(4) . . ?
C35 C36 C38 120.2(4) . . ?
C31 C36 C38 122.2(4) . . ?
C32 C37 C51 112.1(4) . . ?
C32 C37 C52 109.8(4) . . ?
C51 C37 C52 110.0(4) . . ?
C32 C37 H37 108.3 . . ?
C51 C37 H37 108.3 . . ?
C52 C37 H37 108.3 . . ?
C36 C38 C54 113.7(4) . . ?
C36 C38 C53 110.9(4) . . ?
C54 C38 C53 109.0(4) . . ?
C36 C38 H38 107.7 . . ?
C54 C38 H38 107.7 . . ?
C53 C38 H38 107.7 . . ?
C46 C41 C42 122.8(4) . . ?
C46 C41 N12 117.6(3) . . ?
C42 C41 N12 119.3(3) . . ?
C43 C42 C41 117.2(4) . . ?
C43 C42 C47 120.8(4) . . ?
C41 C42 C47 121.9(4) . . ?
C44 C43 C42 121.7(4) . . ?
C44 C43 H43 119.2 . . ?
C42 C43 H43 119.2 . . ?
C43 C44 C45 119.9(4) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C46 121.5(4) . . ?
C44 C45 H45 119.3 . . ?
C46 C45 H45 119.3 . . ?
C45 C46 C41 116.9(3) . . ?
C45 C46 C48 120.4(4) . . ?
C41 C46 C48 122.6(3) . . ?
C42 C47 C55 113.1(4) . . ?
C42 C47 C56 110.7(3) . . ?
C55 C47 C56 110.8(4) . . ?
C42 C47 H47 107.3 . . ?
C55 C47 H47 107.3 . . ?
C56 C47 H47 107.3 . . ?
C46 C48 C58 113.1(4) . . ?
C46 C48 C57 110.7(3) . . ?
C58 C48 C57 109.5(4) . . ?
C46 C48 H48 107.8 . . ?
C58 C48 H48 107.8 . . ?
C57 C48 H48 107.8 . . ?
C37 C51 H51A 109.5 . . ?
C37 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C37 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C37 C52 H52A 109.5 . . ?
C37 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C37 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C38 C53 H53A 109.5 . . ?
C38 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C38 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C38 C54 H54A 109.5 . . ?
C38 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C38 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C47 C55 H55A 109.5 . . ?
C47 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C47 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C47 C56 H56A 109.5 . . ?
C47 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C47 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C48 C57 H57A 109.5 . . ?
C48 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C48 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C48 C58 H58A 109.5 . . ?
C48 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C48 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C62 C61 C66 122.8(3) . . ?
C62 C61 N21 119.0(3) . . ?
C66 C61 N21 117.9(3) . . ?
C61 C62 C63 117.0(4) . . ?
C61 C62 C67 123.3(3) . . ?
C63 C62 C67 119.6(3) . . ?
C64 C63 C62 121.2(4) . . ?
C64 C63 H63 119.4 . . ?
C62 C63 H63 119.4 . . ?
C63 C64 C65 120.8(4) . . ?
C63 C64 H64 119.6 . . ?
C65 C64 H64 119.6 . . ?
C64 C65 C66 121.4(4) . . ?
C64 C65 H65 119.3 . . ?
C66 C65 H65 119.3 . . ?
C65 C66 C61 116.7(4) . . ?
C65 C66 C68 121.6(4) . . ?
C61 C66 C68 121.7(3) . . ?
C62 C67 C82 109.9(3) . . ?
C62 C67 C81 112.4(4) . . ?
C82 C67 C81 110.3(3) . . ?
C62 C67 H67 108.0 . . ?
C82 C67 H67 108.0 . . ?
C81 C67 H67 108.0 . . ?
C66 C68 C84 113.4(3) . . ?
C66 C68 C83 111.5(3) . . ?
C84 C68 C83 109.0(3) . . ?
C66 C68 H68 107.6 . . ?
C84 C68 H68 107.6 . . ?
C83 C68 H68 107.6 . . ?
C72 C71 C76 123.0(3) . . ?
C72 C71 N22 119.4(3) . . ?
C76 C71 N22 117.5(3) . . ?
C71 C72 C73 117.0(3) . . ?
C71 C72 C77 123.6(3) . . ?
C73 C72 C77 119.4(3) . . ?
C74 C73 C72 121.6(4) . . ?
C74 C73 H73 119.2 . . ?
C72 C73 H73 119.2 . . ?
C75 C74 C73 119.8(4) . . ?
C75 C74 H74 120.1 . . ?
C73 C74 H74 120.1 . . ?
C74 C75 C76 121.7(4) . . ?
C74 C75 H75 119.1 . . ?
C76 C75 H75 119.1 . . ?
C75 C76 C71 116.9(4) . . ?
C75 C76 C78 120.2(3) . . ?
C71 C76 C78 122.8(3) . . ?
C85 C77 C72 112.0(3) . . ?
C85 C77 C86 110.4(3) . . ?
C72 C77 C86 110.1(3) . . ?
C85 C77 H77 108.1 . . ?
C72 C77 H77 108.1 . . ?
C86 C77 H77 108.1 . . ?
C76 C78 C87 110.3(3) . . ?
C76 C78 C88 113.6(3) . . ?
C87 C78 C88 109.3(3) . . ?
C76 C78 H78 107.8 . . ?
C87 C78 H78 107.8 . . ?
C88 C78 H78 107.8 . . ?
C67 C81 H81A 109.5 . . ?
C67 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C67 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C67 C82 H82A 109.5 . . ?
C67 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C67 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C68 C83 H83A 109.5 . . ?
C68 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C68 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C68 C84 H84A 109.5 . . ?
C68 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C68 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C77 C85 H85A 109.5 . . ?
C77 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C77 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C77 C86 H86A 109.5 . . ?
C77 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C77 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C78 C87 H87A 109.5 . . ?
C78 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C78 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C78 C88 H88A 109.5 . . ?
C78 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C78 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O1B C2 C1B 105.1(8) . . ?
O1A C2 C1A 101.6(7) . . ?
O1B C2 H2E 110.7 . . ?
C1B C2 H2E 110.7 . . ?
O1B C2 H2F 110.7 . . ?
C1B C2 H2F 110.7 . . ?
H2E C2 H2F 108.8 . . ?
O1A C2 H2C 109.6 . . ?
C1A C2 H2C 111.8 . . ?
O1A C2 H2D 111.7 . . ?
C1A C2 H2D 112.6 . . ?
H2C C2 H2D 109.4 . . ?
C2 C1A H1AA 109.5 . . ?
C2 C1A H1AB 109.5 . . ?
C2 C1A H1AC 109.5 . . ?
C4A O1A C2 112.4(11) . . ?
O1A C4A C5A 103.9(8) . . ?
O1A C4A H4AA 111.0 . . ?
C5A C4A H4AA 111.0 . . ?
O1A C4A H4AB 111.0 . . ?
C5A C4A H4AB 111.0 . . ?
H4AA C4A H4AB 109.0 . . ?
C2 C1B H1BA 109.5 . . ?
C2 C1B H1BB 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
C2 C1B H1BC 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C4B O1B C2 115.0(14) . . ?
O1B C4B C5B 102.7(9) . . ?
O1B C4B H4BA 111.2 . . ?
C5B C4B H4BA 111.2 . . ?
O1B C4B H4BB 111.2 . . ?
C5B C4B H4BB 111.2 . . ?
H4BA C4B H4BB 109.1 . . ?
C4B C5B H5BA 109.5 . . ?
C4B C5B H5BB 109.5 . . ?
H5BA C5B H5BB 109.5 . . ?
C4B C5B H5BC 109.5 . . ?
H5BA C5B H5BC 109.5 . . ?
H5BB C5B H5BC 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.061
_refine_diff_density_min         -1.189
_refine_diff_density_rms         0.110
####################################################################### 
# 
# 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_6b
_database_code_depnum_ccdc_archive 'CCDC 1431453'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2015-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H44 Cl2 N2 Ru Si'
_chemical_formula_weight         668.76

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 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+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   9.7104(5)
_cell_length_b                   19.1394(11)
_cell_length_c                   18.2255(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3387.2(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9680
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      28.26

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      n/a
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_F_000             1392
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.679
_shelx_estimated_absorpt_T_min   0.859
_shelx_estimated_absorpt_T_max   0.923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6319
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            51836
_diffrn_reflns_av_unetI/netI     0.0118
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.543
_diffrn_reflns_theta_max         28.264
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             4291
_reflns_number_gt                3781
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX II, Bruker (2009)'
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_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)+(0.0238P)²+5.7800P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4291
_refine_ls_number_parameters     184
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0339
_refine_ls_wR_factor_ref         0.0790
_refine_ls_wR_factor_gt          0.0746
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_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_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 0.47784(2) 0.7500 0.49917(2) 0.02400(7) Uani 1 2 d S T P . .
Cl1 Cl 0.23897(6) 0.66683(3) 0.63163(3) 0.03712(13) Uani 1 1 d . . . . .
Si1 Si 0.38178(8) 0.7500 0.61422(4) 0.02440(16) Uani 1 2 d S T P . .
N1 N 0.77591(16) 0.69392(9) 0.51676(9) 0.0240(3) Uani 1 1 d . . . . .
C1 C 0.4756(3) 0.7500 0.37289(18) 0.0394(8) Uani 1 2 d S T P . .
H1A H 0.5591 0.7500 0.3408 0.047 Uiso 1 2 calc R U P . .
C2 C 0.4075(3) 0.69027(18) 0.39847(14) 0.0567(8) Uani 1 1 d . . . . .
H2A H 0.4306 0.6407 0.3861 0.068 Uiso 1 1 calc R U . . .
C3 C 0.2940(3) 0.7133(2) 0.44098(15) 0.0806(14) Uani 1 1 d . . . . .
H3A H 0.2203 0.6828 0.4620 0.097 Uiso 1 1 calc R U . . .
C4 C 0.6895(3) 0.7500 0.51025(14) 0.0222(5) Uani 1 2 d S T P . .
C5 C 0.9107(2) 0.71506(12) 0.53027(12) 0.0315(4) Uani 1 1 d . . . . .
H5A H 0.9879 0.6855 0.5380 0.038 Uiso 1 1 calc R U . . .
C6 C 0.7423(2) 0.62113(11) 0.50234(11) 0.0290(4) Uani 1 1 d . . . . .
C7 C 0.7504(2) 0.59733(13) 0.42932(13) 0.0391(5) Uani 1 1 d . . . . .
C8 C 0.7196(3) 0.52669(16) 0.41714(17) 0.0569(8) Uani 1 1 d . . . . .
H8A H 0.7237 0.5086 0.3687 0.068 Uiso 1 1 calc R U . . .
C9 C 0.6836(4) 0.48332(16) 0.4738(2) 0.0674(9) Uani 1 1 d . . . . .
H9A H 0.6593 0.4362 0.4639 0.081 Uiso 1 1 calc R U . . .
C10 C 0.6823(3) 0.50734(13) 0.54465(17) 0.0539(7) Uani 1 1 d . . . . .
H10A H 0.6605 0.4761 0.5834 0.065 Uiso 1 1 calc R U . . .
C11 C 0.7127(2) 0.57710(11) 0.56080(12) 0.0333(5) Uani 1 1 d . . . . .
C12 C 0.8000(3) 0.64339(17) 0.36699(14) 0.0523(7) Uani 1 1 d . . . . .
H12A H 0.7809 0.6930 0.3808 0.063 Uiso 1 1 calc R U . . .
C13 C 0.7274(4) 0.6291(2) 0.29373(16) 0.0751(11) Uani 1 1 d . . . . .
H13A H 0.7641 0.6604 0.2560 0.113 Uiso 1 1 calc R U . . .
H13B H 0.7434 0.5805 0.2791 0.113 Uiso 1 1 calc R U . . .
H13C H 0.6282 0.6371 0.2993 0.113 Uiso 1 1 calc R U . . .
C14 C 0.9549(4) 0.6359(3) 0.3566(2) 0.0849(13) Uani 1 1 d . . . . .
H14A H 0.9851 0.6659 0.3162 0.127 Uiso 1 1 calc R U . . .
H14B H 1.0022 0.6497 0.4018 0.127 Uiso 1 1 calc R U . . .
H14C H 0.9770 0.5871 0.3451 0.127 Uiso 1 1 calc R U . . .
C15 C 0.7186(2) 0.60082(12) 0.64003(12) 0.0336(5) Uani 1 1 d . . . . .
H15A H 0.7093 0.6529 0.6407 0.040 Uiso 1 1 calc R U . . .
C16 C 0.6032(3) 0.57041(14) 0.68699(14) 0.0449(6) Uani 1 1 d . . . . .
H16A H 0.6123 0.5875 0.7375 0.067 Uiso 1 1 calc R U . . .
H16B H 0.5140 0.5849 0.6670 0.067 Uiso 1 1 calc R U . . .
H16C H 0.6093 0.5193 0.6867 0.067 Uiso 1 1 calc R U . . .
C17 C 0.8582(3) 0.58218(18) 0.67397(16) 0.0554(7) Uani 1 1 d . . . . .
H17A H 0.8605 0.5978 0.7252 0.083 Uiso 1 1 calc R U . . .
H17B H 0.8715 0.5315 0.6721 0.083 Uiso 1 1 calc R U . . .
H17C H 0.9319 0.6053 0.6464 0.083 Uiso 1 1 calc R U . . .
C18 C 0.4796(3) 0.7500 0.70209(17) 0.0342(7) Uani 1 2 d S T P . .
H18A H 0.5498 0.7868 0.7007 0.051 Uiso 0.5 1 calc R U P . .
H18B H 0.4162 0.7587 0.7429 0.051 Uiso 0.5 1 calc R U P . .
H18C H 0.5242 0.7045 0.7088 0.051 Uiso 0.5 1 calc R U P . .


_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 C4 2.066(3) . ?
Ru1 C3 2.192(2) 7_575 ?
Ru1 C3 2.192(2) . ?
Ru1 C2 2.267(3) . ?
Ru1 C2 2.267(3) 7_575 ?
Ru1 Si1 2.2950(8) . ?
Ru1 C1 2.302(3) . ?
Cl1 Si1 2.1349(7) . ?
Si1 C18 1.862(3) . ?
Si1 Cl1 2.1349(7) 7_575 ?
N1 C4 1.367(2) . ?
N1 C5 1.392(2) . ?
N1 C6 1.455(3) . ?
C1 C2 1.400(3) 7_575 ?
C1 C2 1.400(4) . ?
C2 C3 1.418(5) . ?
C3 C3 1.404(8) 7_575 ?
C4 N1 1.367(2) 7_575 ?
C5 C5 1.337(5) 7_575 ?
C6 C11 1.388(3) . ?
C6 C7 1.409(3) . ?
C7 C8 1.402(4) . ?
C7 C12 1.517(4) . ?
C8 C9 1.370(5) . ?
C9 C10 1.371(4) . ?
C10 C11 1.399(3) . ?
C11 C15 1.515(3) . ?
C12 C14 1.523(4) . ?
C12 C13 1.535(4) . ?
C15 C16 1.525(3) . ?
C15 C17 1.532(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
C4 Ru1 C3 149.07(11) . 7_575 ?
C4 Ru1 C3 149.07(11) . . ?
C3 Ru1 C3 37.4(2) 7_575 . ?
C4 Ru1 C2 112.26(10) . . ?
C3 Ru1 C2 61.61(13) 7_575 . ?
C3 Ru1 C2 37.02(12) . . ?
C4 Ru1 C2 112.26(10) . 7_575 ?
C3 Ru1 C2 37.03(12) 7_575 7_575 ?
C3 Ru1 C2 61.61(13) . 7_575 ?
C2 Ru1 C2 60.55(17) . 7_575 ?
C4 Ru1 Si1 108.37(7) . . ?
C3 Ru1 Si1 96.38(8) 7_575 . ?
C3 Ru1 Si1 96.38(8) . . ?
C2 Ru1 Si1 128.11(7) . . ?
C2 Ru1 Si1 128.11(7) 7_575 . ?
C4 Ru1 C1 96.15(11) . . ?
C3 Ru1 C1 60.55(11) 7_575 . ?
C3 Ru1 C1 60.55(11) . . ?
C2 Ru1 C1 35.69(8) . . ?
C2 Ru1 C1 35.68(8) 7_575 . ?
Si1 Ru1 C1 155.48(9) . . ?
C18 Si1 Cl1 101.74(7) . . ?
C18 Si1 Cl1 101.74(7) . 7_575 ?
Cl1 Si1 Cl1 96.43(4) . 7_575 ?
C18 Si1 Ru1 125.35(11) . . ?
Cl1 Si1 Ru1 113.57(3) . . ?
Cl1 Si1 Ru1 113.56(3) 7_575 . ?
C4 N1 C5 111.33(17) . . ?
C4 N1 C6 126.75(17) . . ?
C5 N1 C6 121.43(17) . . ?
C2 C1 C2 109.4(4) 7_575 . ?
C2 C1 Ru1 70.83(16) 7_575 . ?
C2 C1 Ru1 70.83(16) . . ?
C1 C2 C3 107.1(3) . . ?
C1 C2 Ru1 73.49(17) . . ?
C3 C2 Ru1 68.58(15) . . ?
C3 C3 C2 108.1(2) 7_575 . ?
C3 C3 Ru1 71.32(11) 7_575 . ?
C2 C3 Ru1 74.39(15) . . ?
N1 C4 N1 103.4(2) . 7_575 ?
N1 C4 Ru1 128.24(11) . . ?
N1 C4 Ru1 128.24(11) 7_575 . ?
C5 C5 N1 106.91(12) 7_575 . ?
C11 C6 C7 122.7(2) . . ?
C11 C6 N1 119.27(18) . . ?
C7 C6 N1 117.9(2) . . ?
C8 C7 C6 116.7(2) . . ?
C8 C7 C12 120.6(2) . . ?
C6 C7 C12 122.5(2) . . ?
C9 C8 C7 121.3(3) . . ?
C8 C9 C10 120.6(3) . . ?
C9 C10 C11 121.1(3) . . ?
C6 C11 C10 117.5(2) . . ?
C6 C11 C15 122.81(19) . . ?
C10 C11 C15 119.6(2) . . ?
C7 C12 C14 110.6(3) . . ?
C7 C12 C13 113.7(3) . . ?
C14 C12 C13 109.2(3) . . ?
C11 C15 C16 113.1(2) . . ?
C11 C15 C17 110.4(2) . . ?
C16 C15 C17 109.5(2) . . ?

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
C2 C1 C2 C3 0.1(4) 7_575 . . . ?
Ru1 C1 C2 C3 60.66(18) . . . . ?
C2 C1 C2 Ru1 -60.6(2) 7_575 . . . ?
C1 C2 C3 C3 -0.1(2) . . . 7_575 ?
Ru1 C2 C3 C3 63.81(8) . . . 7_575 ?
C1 C2 C3 Ru1 -63.9(2) . . . . ?
C5 N1 C4 N1 2.7(3) . . . 7_575 ?
C6 N1 C4 N1 -169.40(13) . . . 7_575 ?
C5 N1 C4 Ru1 -174.22(17) . . . . ?
C6 N1 C4 Ru1 13.7(3) . . . . ?
C4 N1 C5 C5 -1.73(18) . . . 7_575 ?
C6 N1 C5 C5 170.82(14) . . . 7_575 ?
C4 N1 C6 C11 -100.2(3) . . . . ?
C5 N1 C6 C11 88.5(3) . . . . ?
C4 N1 C6 C7 84.0(3) . . . . ?
C5 N1 C6 C7 -87.3(2) . . . . ?
C11 C6 C7 C8 3.4(4) . . . . ?
N1 C6 C7 C8 179.0(2) . . . . ?
C11 C6 C7 C12 -172.2(2) . . . . ?
N1 C6 C7 C12 3.5(3) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
C12 C7 C8 C9 175.6(3) . . . . ?
C7 C8 C9 C10 -2.7(5) . . . . ?
C8 C9 C10 C11 2.4(5) . . . . ?
C7 C6 C11 C10 -3.7(4) . . . . ?
N1 C6 C11 C10 -179.3(2) . . . . ?
C7 C6 C11 C15 173.4(2) . . . . ?
N1 C6 C11 C15 -2.2(3) . . . . ?
C9 C10 C11 C6 0.8(4) . . . . ?
C9 C10 C11 C15 -176.4(3) . . . . ?
C8 C7 C12 C14 -84.3(3) . . . . ?
C6 C7 C12 C14 91.0(3) . . . . ?
C8 C7 C12 C13 38.9(4) . . . . ?
C6 C7 C12 C13 -145.7(3) . . . . ?
C6 C11 C15 C16 141.1(2) . . . . ?
C10 C11 C15 C16 -41.9(3) . . . . ?
C6 C11 C15 C17 -95.8(3) . . . . ?
C10 C11 C15 C17 81.3(3) . . . . ?

_refine_diff_density_max         0.832
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.068

####################################################################### 
# 
# 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_6c
_database_code_depnum_ccdc_archive 'CCDC 1431454'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2015-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H49 Cl N2 Ru Si'
_chemical_formula_sum            'C34 H49 Cl N2 Ru Si'
_chemical_formula_weight         650.36

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'
Si Si 0.0817 0.0704 '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                   19.0229(7)
_cell_length_b                   19.7991(5)
_cell_length_c                   19.6305(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.641(4)
_cell_angle_gamma                90.00
_cell_volume                     6773.1(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    7436
_cell_measurement_theta_min      3.284
_cell_measurement_theta_max      26.8070

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2736
_exptl_absorpt_coefficient_mu    0.601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.92071
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω and π scans'
_diffrn_detector_area_resol_mean 16.1511
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            37760
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_sigmaI/netI    0.1039
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         27.50
_reflns_number_total             15090
_reflns_number_gt                10142
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0325P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15090
_refine_ls_number_parameters     719
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0522
_refine_ls_wR_factor_ref         0.1083
_refine_ls_wR_factor_gt          0.0909
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_restrained_S_all      0.993
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.374747(16) 1.472299(14) 0.241308(16) 0.01523(8) Uani 1 1 d . . .
Si1 Si 0.30175(6) 1.56907(5) 0.22642(6) 0.0197(2) Uani 1 1 d . . .
Cl1 Cl 0.36307(6) 1.64542(5) 0.30828(6) 0.0389(3) Uani 1 1 d . . .
N1 N 0.31825(16) 1.36561(14) 0.32210(15) 0.0178(7) Uani 1 1 d . . .
N2 N 0.25920(16) 1.35297(14) 0.20391(16) 0.0183(7) Uani 1 1 d . . .
C1S C 0.4787(2) 1.41154(19) 0.2458(2) 0.0233(9) Uani 1 1 d . . .
H1SA H 0.4838 1.3613 0.2508 0.028 Uiso 1 1 calc R . .
C2S C 0.5028(2) 1.45783(19) 0.3059(2) 0.0255(9) Uani 1 1 d . . .
H2SA H 0.5295 1.4465 0.3599 0.031 Uiso 1 1 calc R . .
C3S C 0.4862(2) 1.5237(2) 0.2744(2) 0.0275(10) Uani 1 1 d . . .
H3SA H 0.5008 1.5671 0.3027 0.033 Uiso 1 1 calc R . .
C4S C 0.4532(2) 1.5175(2) 0.1956(2) 0.0283(10) Uani 1 1 d . . .
H4SA H 0.4406 1.5556 0.1592 0.034 Uiso 1 1 calc R . .
C5S C 0.4487(2) 1.44716(19) 0.1778(2) 0.0255(9) Uani 1 1 d . . .
H5SA H 0.4306 1.4271 0.1269 0.031 Uiso 1 1 calc R . .
C1 C 0.31432(19) 1.39260(17) 0.25640(19) 0.0155(8) Uani 1 1 d . . .
C2 C 0.2667(2) 1.31239(19) 0.3104(2) 0.0272(9) Uani 1 1 d . . .
H2A H 0.2590 1.2865 0.3476 0.033 Uiso 1 1 calc R . .
C3 C 0.2304(2) 1.30474(19) 0.2370(2) 0.0272(9) Uani 1 1 d . . .
H3A H 0.1918 1.2723 0.2121 0.033 Uiso 1 1 calc R . .
C4 C 0.3740(2) 1.38350(17) 0.39576(19) 0.0189(8) Uani 1 1 d . . .
C5 C 0.3547(2) 1.43062(18) 0.4380(2) 0.0228(9) Uani 1 1 d . . .
C6 C 0.4115(2) 1.4478(2) 0.5072(2) 0.0304(10) Uani 1 1 d . . .
H6A H 0.4003 1.4802 0.5371 0.036 Uiso 1 1 calc R . .
C7 C 0.4832(2) 1.4190(2) 0.5330(2) 0.0354(11) Uani 1 1 d . . .
H7A H 0.5215 1.4330 0.5792 0.042 Uiso 1 1 calc R . .
C8 C 0.4994(2) 1.3696(2) 0.4918(2) 0.0314(10) Uani 1 1 d . . .
H8A H 0.5484 1.3484 0.5113 0.038 Uiso 1 1 calc R . .
C9 C 0.4457(2) 1.35009(19) 0.4221(2) 0.0240(9) Uani 1 1 d . . .
C10 C 0.2391(2) 1.35185(18) 0.1239(2) 0.0202(9) Uani 1 1 d . . .
C11 C 0.1737(2) 1.38605(18) 0.0769(2) 0.0233(9) Uani 1 1 d . . .
C12 C 0.1542(2) 1.37997(19) 0.0002(2) 0.0279(10) Uani 1 1 d . . .
H12A H 0.1101 1.4029 -0.0336 0.033 Uiso 1 1 calc R . .
C13 C 0.1972(2) 1.3419(2) -0.0271(2) 0.0307(10) Uani 1 1 d . . .
H13A H 0.1829 1.3389 -0.0792 0.037 Uiso 1 1 calc R . .
C14 C 0.2610(2) 1.30799(19) 0.0209(2) 0.0291(10) Uani 1 1 d . . .
H14A H 0.2906 1.2821 0.0013 0.035 Uiso 1 1 calc R . .
C15 C 0.2830(2) 1.31097(18) 0.0976(2) 0.0221(9) Uani 1 1 d . . .
C16 C 0.2747(2) 1.46030(19) 0.4123(2) 0.0270(9) Uani 1 1 d . . .
H16A H 0.2502 1.4580 0.3568 0.032 Uiso 1 1 calc R . .
C17 C 0.2742(3) 1.5337(2) 0.4352(2) 0.0384(11) Uani 1 1 d . . .
H17A H 0.3048 1.5609 0.4155 0.058 Uiso 1 1 calc R . .
H17B H 0.2961 1.5369 0.4896 0.058 Uiso 1 1 calc R . .
H17C H 0.2213 1.5505 0.4153 0.058 Uiso 1 1 calc R . .
C18 C 0.2263(2) 1.4176(2) 0.4429(2) 0.0433(12) Uani 1 1 d . . .
H18A H 0.2266 1.3704 0.4281 0.065 Uiso 1 1 calc R . .
H18B H 0.1734 1.4345 0.4227 0.065 Uiso 1 1 calc R . .
H18C H 0.2480 1.4208 0.4972 0.065 Uiso 1 1 calc R . .
C19 C 0.4624(2) 1.2920(2) 0.3804(2) 0.0315(10) Uani 1 1 d . . .
H19A H 0.4299 1.2981 0.3262 0.038 Uiso 1 1 calc R . .
C20 C 0.5464(2) 1.2876(2) 0.3902(2) 0.0440(12) Uani 1 1 d . . .
H20A H 0.5614 1.3300 0.3742 0.066 Uiso 1 1 calc R . .
H20B H 0.5523 1.2503 0.3601 0.066 Uiso 1 1 calc R . .
H20C H 0.5792 1.2795 0.4427 0.066 Uiso 1 1 calc R . .
C21 C 0.4395(3) 1.2245(2) 0.4054(3) 0.0478(13) Uani 1 1 d . . .
H21A H 0.3860 1.2268 0.3996 0.072 Uiso 1 1 calc R . .
H21B H 0.4728 1.2160 0.4577 0.072 Uiso 1 1 calc R . .
H21C H 0.4453 1.1876 0.3747 0.072 Uiso 1 1 calc R . .
C22 C 0.1235(2) 1.42684(19) 0.1051(2) 0.0274(9) Uani 1 1 d . . .
H22A H 0.1533 1.4350 0.1594 0.033 Uiso 1 1 calc R . .
C23 C 0.1031(2) 1.4959(2) 0.0664(2) 0.0358(11) Uani 1 1 d . . .
H23A H 0.1504 1.5202 0.0734 0.054 Uiso 1 1 calc R . .
H23B H 0.0735 1.5222 0.0880 0.054 Uiso 1 1 calc R . .
H23C H 0.0725 1.4893 0.0132 0.054 Uiso 1 1 calc R . .
C25 C 0.3487(2) 1.26749(19) 0.1492(2) 0.0309(10) Uani 1 1 d . . .
H25A H 0.3654 1.2855 0.2009 0.037 Uiso 1 1 calc R . .
C26 C 0.4183(2) 1.2656(2) 0.1291(2) 0.0339(10) Uani 1 1 d . . .
H26A H 0.4384 1.3115 0.1310 0.051 Uiso 1 1 calc R . .
H26B H 0.4032 1.2474 0.0788 0.051 Uiso 1 1 calc R . .
H26C H 0.4582 1.2369 0.1646 0.051 Uiso 1 1 calc R . .
C27 C 0.3200(3) 1.1950(2) 0.1479(3) 0.0596(15) Uani 1 1 d . . .
H27A H 0.2756 1.1951 0.1612 0.089 Uiso 1 1 calc R . .
H27B H 0.3610 1.1675 0.1837 0.089 Uiso 1 1 calc R . .
H27C H 0.3051 1.1760 0.0979 0.089 Uiso 1 1 calc R . .
C28 C 0.2086(2) 1.56758(19) 0.2373(2) 0.0256(9) Uani 1 1 d . . .
H28A H 0.1863 1.6130 0.2290 0.038 Uiso 1 1 calc R . .
H28B H 0.2174 1.5526 0.2876 0.038 Uiso 1 1 calc R . .
H28C H 0.1732 1.5363 0.2009 0.038 Uiso 1 1 calc R . .
C29 C 0.2832(2) 1.61952(19) 0.1382(2) 0.0339(11) Uani 1 1 d . . .
H29A H 0.2520 1.6593 0.1370 0.051 Uiso 1 1 calc R . .
H29B H 0.2558 1.5912 0.0946 0.051 Uiso 1 1 calc R . .
H29C H 0.3322 1.6340 0.1376 0.051 Uiso 1 1 calc R . .
Ru2 Ru -0.213008(16) 1.398186(15) 0.290608(16) 0.01676(8) Uani 1 1 d . . .
Si2 Si -0.09499(6) 1.36580(5) 0.38084(6) 0.0248(3) Uani 1 1 d . . .
Cl2 Cl -0.09765(6) 1.26619(5) 0.42551(5) 0.0327(3) Uani 1 1 d . . .
N1A N -0.19060(15) 1.46412(13) 0.15900(15) 0.0134(6) Uani 1 1 d . . .
N2A N -0.20496(16) 1.35695(14) 0.14021(15) 0.0157(7) Uani 1 1 d . . .
C1A C -0.20320(18) 1.40620(16) 0.19089(18) 0.0134(7) Uani 1 1 d . . .
C2A C -0.18389(19) 1.45048(18) 0.09205(19) 0.0188(8) Uani 1 1 d . . .
H2AA H -0.1749 1.4825 0.0604 0.023 Uiso 1 1 calc R . .
C3A C -0.1925(2) 1.38358(18) 0.0808(2) 0.0216(9) Uani 1 1 d . . .
H3AA H -0.1905 1.3592 0.0399 0.026 Uiso 1 1 calc R . .
C4A C -0.19424(19) 1.53294(17) 0.18178(18) 0.0149(8) Uani 1 1 d . . .
C5A C -0.1264(2) 1.56583(18) 0.22673(19) 0.0209(9) Uani 1 1 d . . .
C6A C -0.1313(2) 1.63313(18) 0.2453(2) 0.0266(9) Uani 1 1 d . . .
H6AA H -0.0860 1.6567 0.2753 0.032 Uiso 1 1 calc R . .
C7A C -0.2009(2) 1.66579(19) 0.2207(2) 0.0320(10) Uani 1 1 d . . .
H7AA H -0.2033 1.7115 0.2343 0.038 Uiso 1 1 calc R . .
C8A C -0.2669(2) 1.63255(19) 0.1766(2) 0.0271(9) Uani 1 1 d . . .
H8AA H -0.3146 1.6558 0.1602 0.033 Uiso 1 1 calc R . .
C9A C -0.2655(2) 1.56565(18) 0.1555(2) 0.0214(9) Uani 1 1 d . . .
C10A C -0.2311(2) 1.28703(18) 0.13641(19) 0.0198(8) Uani 1 1 d . . .
C11A C -0.1771(2) 1.23494(19) 0.1600(2) 0.0288(10) Uani 1 1 d . . .
C12A C -0.2058(3) 1.1689(2) 0.1492(2) 0.0393(11) Uani 1 1 d . . .
H12B H -0.1711 1.1320 0.1648 0.047 Uiso 1 1 calc R . .
C13A C -0.2831(3) 1.1566(2) 0.1166(3) 0.0456(13) Uani 1 1 d . . .
H13B H -0.3011 1.1114 0.1104 0.055 Uiso 1 1 calc R . .
C14A C -0.3347(3) 1.2084(2) 0.0928(2) 0.0376(11) Uani 1 1 d . . .
H14B H -0.3880 1.1985 0.0701 0.045 Uiso 1 1 calc R . .
C15A C -0.3104(2) 1.27558(19) 0.1013(2) 0.0255(9) Uani 1 1 d . . .
C16A C -0.0486(2) 1.53135(19) 0.2521(2) 0.0244(9) Uani 1 1 d . . .
H16B H -0.0578 1.4815 0.2483 0.029 Uiso 1 1 calc R . .
C17A C -0.0078(2) 1.5493(2) 0.2013(2) 0.0404(12) Uani 1 1 d . . .
H17D H -0.0415 1.5387 0.1496 0.061 Uiso 1 1 calc R . .
H17E H 0.0396 1.5230 0.2159 0.061 Uiso 1 1 calc R . .
H17F H 0.0045 1.5976 0.2057 0.061 Uiso 1 1 calc R . .
C18A C 0.0035(2) 1.5473(2) 0.3334(2) 0.0389(12) Uani 1 1 d . . .
H18D H -0.0228 1.5348 0.3655 0.058 Uiso 1 1 calc R . .
H18E H 0.0152 1.5957 0.3386 0.058 Uiso 1 1 calc R . .
H18F H 0.0513 1.5215 0.3480 0.058 Uiso 1 1 calc R . .
C19A C -0.3389(2) 1.5311(2) 0.1033(2) 0.0269(9) Uani 1 1 d . . .
H19B H -0.3322 1.4814 0.1129 0.032 Uiso 1 1 calc R . .
C20A C -0.4102(2) 1.5530(2) 0.1164(3) 0.0443(12) Uani 1 1 d . . .
H20D H -0.4011 1.5456 0.1686 0.066 Uiso 1 1 calc R . .
H20E H -0.4547 1.5264 0.0845 0.066 Uiso 1 1 calc R . .
H20F H -0.4203 1.6011 0.1044 0.066 Uiso 1 1 calc R . .
C21A C -0.3539(2) 1.5426(2) 0.0219(2) 0.0389(12) Uani 1 1 d . . .
H21D H -0.3089 1.5284 0.0131 0.058 Uiso 1 1 calc R . .
H21E H -0.3638 1.5906 0.0100 0.058 Uiso 1 1 calc R . .
H21F H -0.3987 1.5161 -0.0097 0.058 Uiso 1 1 calc R . .
C22A C -0.0915(2) 1.2473(2) 0.1898(2) 0.0368(11) Uani 1 1 d . . .
H22B H -0.0824 1.2961 0.2035 0.044 Uiso 1 1 calc R . .
C23A C -0.0474(3) 1.2054(2) 0.2605(3) 0.0509(14) Uani 1 1 d . . .
H23D H -0.0665 1.2164 0.2987 0.076 Uiso 1 1 calc R . .
H23E H 0.0074 1.2159 0.2791 0.076 Uiso 1 1 calc R . .
H23F H -0.0552 1.1571 0.2486 0.076 Uiso 1 1 calc R . .
C1T C -0.3419(2) 1.42163(19) 0.2505(2) 0.0245(9) Uani 1 1 d . . .
H1TA H -0.3788 1.4265 0.1975 0.029 Uiso 1 1 calc R . .
C2T C -0.3262(2) 1.3615(2) 0.2920(2) 0.0318(10) Uani 1 1 d . . .
H2TA H -0.3507 1.3166 0.2741 0.038 Uiso 1 1 calc R . .
C3T C -0.2730(2) 1.3766(2) 0.3648(2) 0.0369(11) Uani 1 1 d . . .
H3TA H -0.2550 1.3447 0.4078 0.044 Uiso 1 1 calc R . .
C4T C -0.2555(3) 1.4468(2) 0.3681(2) 0.0353(11) Uani 1 1 d . . .
H4TA H -0.2239 1.4728 0.4139 0.042 Uiso 1 1 calc R . .
C5T C -0.2983(2) 1.4743(2) 0.2967(2) 0.0340(10) Uani 1 1 d . . .
H5TA H -0.3007 1.5231 0.2828 0.041 Uiso 1 1 calc R . .
C24A C -0.0620(3) 1.2334(2) 0.1292(3) 0.0552(14) Uani 1 1 d . . .
H24A H -0.0904 1.2613 0.0855 0.083 Uiso 1 1 calc R . .
H24B H -0.0694 1.1855 0.1153 0.083 Uiso 1 1 calc R . .
H24C H -0.0072 1.2444 0.1480 0.083 Uiso 1 1 calc R . .
C25A C -0.3676(2) 1.3320(2) 0.0692(2) 0.0338(11) Uani 1 1 d . . .
H25B H -0.3417 1.3753 0.0920 0.041 Uiso 1 1 calc R . .
C26A C -0.4393(2) 1.3249(2) 0.0859(2) 0.0457(13) Uani 1 1 d . . .
H26D H -0.4241 1.3223 0.1398 0.069 Uiso 1 1 calc R . .
H26E H -0.4670 1.2837 0.0625 0.069 Uiso 1 1 calc R . .
H26F H -0.4727 1.3641 0.0662 0.069 Uiso 1 1 calc R . .
C27A C -0.3910(2) 1.3372(2) -0.0155(2) 0.0488(13) Uani 1 1 d . . .
H27D H -0.3450 1.3423 -0.0258 0.073 Uiso 1 1 calc R . .
H27E H -0.4245 1.3765 -0.0349 0.073 Uiso 1 1 calc R . .
H27F H -0.4185 1.2961 -0.0396 0.073 Uiso 1 1 calc R . .
C28A C -0.0068(2) 1.3609(2) 0.3616(2) 0.0360(11) Uani 1 1 d . . .
H28D H 0.0365 1.3463 0.4067 0.054 Uiso 1 1 calc R . .
H28E H 0.0042 1.4054 0.3465 0.054 Uiso 1 1 calc R . .
H28F H -0.0148 1.3283 0.3216 0.054 Uiso 1 1 calc R . .
C29A C -0.0652(3) 1.4148(2) 0.4705(2) 0.0435(13) Uani 1 1 d . . .
H29D H -0.0151 1.3985 0.5058 0.065 Uiso 1 1 calc R . .
H29E H -0.1034 1.4084 0.4917 0.065 Uiso 1 1 calc R . .
H29F H -0.0615 1.4629 0.4606 0.065 Uiso 1 1 calc R . .
C24 C 0.0511(2) 1.3872(2) 0.0960(3) 0.0485(13) Uani 1 1 d . . .
H24D H 0.0657 1.3437 0.1216 0.073 Uiso 1 1 calc R . .
H24E H 0.0200 1.3796 0.0431 0.073 Uiso 1 1 calc R . .
H24F H 0.0211 1.4132 0.1176 0.073 Uiso 1 1 calc R . .
H1 H 0.3601(18) 1.5013(16) 0.3068(17) 0.023(10) Uiso 1 1 d . . .
H2 H 0.299(2) 1.4804(17) 0.1713(19) 0.041(11) Uiso 1 1 d . . .
H3 H -0.145(2) 1.4472(19) 0.310(2) 0.049(12) Uiso 1 1 d . . .
H4 H -0.1843(18) 1.3291(16) 0.2845(17) 0.024(10) 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 C1 2.043(3) . ?
Ru1 C3S 2.202(3) . ?
Ru1 C4S 2.215(4) . ?
Ru1 C2S 2.269(4) . ?
Ru1 C5S 2.277(4) . ?
Ru1 C1S 2.285(4) . ?
Ru1 Si1 2.3151(10) . ?
Ru1 H1 1.53(3) . ?
Ru1 H2 1.55(3) . ?
Si1 C28 1.867(4) . ?
Si1 C29 1.905(4) . ?
Si1 Cl1 2.1736(14) . ?
N1 C1 1.370(4) . ?
N1 C2 1.394(4) . ?
N1 C4 1.453(4) . ?
N2 C1 1.382(4) . ?
N2 C3 1.386(4) . ?
N2 C10 1.460(4) . ?
C1S C5S 1.412(5) . ?
C1S C2S 1.417(5) . ?
C1S H1SA 1.0000 . ?
C2S C3S 1.424(5) . ?
C2S H2SA 1.0000 . ?
C3S C4S 1.422(5) . ?
C3S H3SA 1.0000 . ?
C4S C5S 1.430(5) . ?
C4S H4SA 1.0000 . ?
C5S H5SA 1.0000 . ?
C2 C3 1.333(5) . ?
C2 H2A 0.9500 . ?
C3 H3A 0.9500 . ?
C4 C5 1.392(5) . ?
C4 C9 1.413(5) . ?
C5 C6 1.396(5) . ?
C5 C16 1.518(5) . ?
C6 C7 1.373(5) . ?
C6 H6A 0.9500 . ?
C7 C8 1.381(6) . ?
C7 H7A 0.9500 . ?
C8 C9 1.395(5) . ?
C8 H8A 0.9500 . ?
C9 C19 1.516(5) . ?
C10 C11 1.392(5) . ?
C10 C15 1.402(5) . ?
C11 C12 1.405(5) . ?
C11 C22 1.514(5) . ?
C12 C13 1.369(5) . ?
C12 H12A 0.9500 . ?
C13 C14 1.377(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.393(5) . ?
C14 H14A 0.9500 . ?
C15 C25 1.521(5) . ?
C16 C17 1.521(5) . ?
C16 C18 1.538(5) . ?
C16 H16A 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 C20 1.534(5) . ?
C19 C21 1.546(5) . ?
C19 H19A 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.532(5) . ?
C22 C23 1.536(5) . ?
C22 H22A 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C25 C26 1.527(5) . ?
C25 C27 1.532(5) . ?
C25 H25A 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
Ru2 C1A 2.046(3) . ?
Ru2 C4T 2.209(4) . ?
Ru2 C3T 2.222(4) . ?
Ru2 C5T 2.254(4) . ?
Ru2 C2T 2.283(4) . ?
Ru2 C1T 2.302(4) . ?
Ru2 Si2 2.3237(11) . ?
Ru2 H3 1.54(4) . ?
Ru2 H4 1.50(3) . ?
Si2 C28A 1.863(4) . ?
Si2 C29A 1.887(4) . ?
Si2 Cl2 2.1672(14) . ?
N1A C1A 1.373(4) . ?
N1A C2A 1.397(4) . ?
N1A C4A 1.444(4) . ?
N2A C1A 1.384(4) . ?
N2A C3A 1.384(4) . ?
N2A C10A 1.462(4) . ?
C2A C3A 1.342(5) . ?
C2A H2AA 0.9500 . ?
C3A H3AA 0.9500 . ?
C4A C5A 1.398(5) . ?
C4A C9A 1.401(5) . ?
C5A C6A 1.394(5) . ?
C5A C16A 1.521(5) . ?
C6A C7A 1.375(5) . ?
C6A H6AA 0.9500 . ?
C7A C8A 1.374(5) . ?
C7A H7AA 0.9500 . ?
C8A C9A 1.391(5) . ?
C8A H8AA 0.9500 . ?
C9A C19A 1.524(5) . ?
C10A C11A 1.397(5) . ?
C10A C15A 1.404(5) . ?
C11A C12A 1.400(5) . ?
C11A C22A 1.512(5) . ?
C12A C13A 1.369(6) . ?
C12A H12B 0.9500 . ?
C13A C14A 1.366(6) . ?
C13A H13B 0.9500 . ?
C14A C15A 1.395(5) . ?
C14A H14B 0.9500 . ?
C15A C25A 1.510(5) . ?
C16A C17A 1.531(5) . ?
C16A C18A 1.537(5) . ?
C16A H16B 1.0000 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A C21A 1.523(5) . ?
C19A C20A 1.541(5) . ?
C19A H19B 1.0000 . ?
C20A H20D 0.9800 . ?
C20A H20E 0.9800 . ?
C20A H20F 0.9800 . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C22A C24A 1.529(6) . ?
C22A C23A 1.545(5) . ?
C22A H22B 1.0000 . ?
C23A H23D 0.9800 . ?
C23A H23E 0.9800 . ?
C23A H23F 0.9800 . ?
C1T C2T 1.406(5) . ?
C1T C5T 1.413(5) . ?
C1T H1TA 1.0000 . ?
C2T C3T 1.412(5) . ?
C2T H2TA 1.0000 . ?
C3T C4T 1.424(6) . ?
C3T H3TA 1.0000 . ?
C4T C5T 1.418(5) . ?
C4T H4TA 1.0000 . ?
C5T H5TA 1.0000 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A C26A 1.532(5) . ?
C25A C27A 1.542(5) . ?
C25A H25B 1.0000 . ?
C26A H26D 0.9800 . ?
C26A H26E 0.9800 . ?
C26A H26F 0.9800 . ?
C27A H27D 0.9800 . ?
C27A H27E 0.9800 . ?
C27A H27F 0.9800 . ?
C28A H28D 0.9800 . ?
C28A H28E 0.9800 . ?
C28A H28F 0.9800 . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 0.9800 . ?
C24 H24D 0.9800 . ?
C24 H24E 0.9800 . ?
C24 H24F 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 C3S 147.75(14) . . ?
C1 Ru1 C4S 151.73(14) . . ?
C3S Ru1 C4S 37.55(14) . . ?
C1 Ru1 C2S 111.23(13) . . ?
C3S Ru1 C2S 37.11(13) . . ?
C4S Ru1 C2S 62.00(14) . . ?
C1 Ru1 C5S 114.68(14) . . ?
C3S Ru1 C5S 61.93(14) . . ?
C4S Ru1 C5S 37.11(13) . . ?
C2S Ru1 C5S 61.16(14) . . ?
C1 Ru1 C1S 96.67(13) . . ?
C3S Ru1 C1S 61.08(14) . . ?
C4S Ru1 C1S 61.03(14) . . ?
C2S Ru1 C1S 36.25(12) . . ?
C5S Ru1 C1S 36.05(12) . . ?
C1 Ru1 Si1 108.29(10) . . ?
C3S Ru1 Si1 96.45(11) . . ?
C4S Ru1 Si1 94.68(10) . . ?
C2S Ru1 Si1 129.08(10) . . ?
C5S Ru1 Si1 125.64(10) . . ?
C1S Ru1 Si1 155.00(10) . . ?
C1 Ru1 H1 82.3(12) . . ?
C3S Ru1 H1 93.3(12) . . ?
C4S Ru1 H1 124.5(12) . . ?
C2S Ru1 H1 95.4(12) . . ?
C5S Ru1 H1 154.3(12) . . ?
C1S Ru1 H1 127.6(12) . . ?
Si1 Ru1 H1 59.6(12) . . ?
C1 Ru1 H2 80.4(13) . . ?
C3S Ru1 H2 130.9(13) . . ?
C4S Ru1 H2 97.8(14) . . ?
C2S Ru1 H2 156.3(14) . . ?
C5S Ru1 H2 95.4(14) . . ?
C1S Ru1 H2 124.7(14) . . ?
Si1 Ru1 H2 60.4(13) . . ?
H1 Ru1 H2 106.9(18) . . ?
C28 Si1 C29 105.85(17) . . ?
C28 Si1 Cl1 100.33(13) . . ?
C29 Si1 Cl1 99.00(14) . . ?
C28 Si1 Ru1 121.39(13) . . ?
C29 Si1 Ru1 115.58(13) . . ?
Cl1 Si1 Ru1 111.43(5) . . ?
C1 N1 C2 111.7(3) . . ?
C1 N1 C4 125.7(3) . . ?
C2 N1 C4 122.2(3) . . ?
C1 N2 C3 111.5(3) . . ?
C1 N2 C10 127.1(3) . . ?
C3 N2 C10 120.8(3) . . ?
C5S C1S C2S 109.7(3) . . ?
C5S C1S Ru1 71.6(2) . . ?
C2S C1S Ru1 71.3(2) . . ?
C5S C1S H1SA 125.1 . . ?
C2S C1S H1SA 125.1 . . ?
Ru1 C1S H1SA 125.1 . . ?
C1S C2S C3S 106.8(3) . . ?
C1S C2S Ru1 72.5(2) . . ?
C3S C2S Ru1 68.9(2) . . ?
C1S C2S H2SA 126.5 . . ?
C3S C2S H2SA 126.5 . . ?
Ru1 C2S H2SA 126.5 . . ?
C4S C3S C2S 108.5(3) . . ?
C4S C3S Ru1 71.7(2) . . ?
C2S C3S Ru1 74.0(2) . . ?
C4S C3S H3SA 125.6 . . ?
C2S C3S H3SA 125.6 . . ?
Ru1 C3S H3SA 125.6 . . ?
C3S C4S C5S 107.9(3) . . ?
C3S C4S Ru1 70.7(2) . . ?
C5S C4S Ru1 73.8(2) . . ?
C3S C4S H4SA 125.9 . . ?
C5S C4S H4SA 125.9 . . ?
Ru1 C4S H4SA 125.9 . . ?
C1S C5S C4S 107.1(3) . . ?
C1S C5S Ru1 72.3(2) . . ?
C4S C5S Ru1 69.1(2) . . ?
C1S C5S H5SA 126.4 . . ?
C4S C5S H5SA 126.4 . . ?
Ru1 C5S H5SA 126.4 . . ?
N1 C1 N2 102.7(3) . . ?
N1 C1 Ru1 128.0(2) . . ?
N2 C1 Ru1 129.3(3) . . ?
C3 C2 N1 106.9(3) . . ?
C3 C2 H2A 126.6 . . ?
N1 C2 H2A 126.6 . . ?
C2 C3 N2 107.3(3) . . ?
C2 C3 H3A 126.4 . . ?
N2 C3 H3A 126.4 . . ?
C5 C4 C9 122.8(3) . . ?
C5 C4 N1 119.6(3) . . ?
C9 C4 N1 117.5(3) . . ?
C4 C5 C6 117.2(4) . . ?
C4 C5 C16 122.0(3) . . ?
C6 C5 C16 120.7(4) . . ?
C7 C6 C5 121.6(4) . . ?
C7 C6 H6A 119.2 . . ?
C5 C6 H6A 119.2 . . ?
C6 C7 C8 120.0(4) . . ?
C6 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C7 C8 C9 121.5(4) . . ?
C7 C8 H8A 119.3 . . ?
C9 C8 H8A 119.3 . . ?
C8 C9 C4 116.7(4) . . ?
C8 C9 C19 120.6(4) . . ?
C4 C9 C19 122.5(3) . . ?
C11 C10 C15 122.9(3) . . ?
C11 C10 N2 118.9(3) . . ?
C15 C10 N2 117.9(3) . . ?
C10 C11 C12 116.7(4) . . ?
C10 C11 C22 123.0(3) . . ?
C12 C11 C22 120.2(3) . . ?
C13 C12 C11 121.6(4) . . ?
C13 C12 H12A 119.2 . . ?
C11 C12 H12A 119.2 . . ?
C12 C13 C14 120.2(4) . . ?
C12 C13 H13A 119.9 . . ?
C14 C13 H13A 119.9 . . ?
C13 C14 C15 121.2(4) . . ?
C13 C14 H14A 119.4 . . ?
C15 C14 H14A 119.4 . . ?
C14 C15 C10 117.2(4) . . ?
C14 C15 C25 120.4(4) . . ?
C10 C15 C25 122.2(3) . . ?
C5 C16 C17 113.3(3) . . ?
C5 C16 C18 109.6(3) . . ?
C17 C16 C18 109.5(3) . . ?
C5 C16 H16A 108.1 . . ?
C17 C16 H16A 108.1 . . ?
C18 C16 H16A 108.1 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 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 . . ?
C9 C19 C20 114.1(3) . . ?
C9 C19 C21 109.8(4) . . ?
C20 C19 C21 108.8(3) . . ?
C9 C19 H19A 108.0 . . ?
C20 C19 H19A 108.0 . . ?
C21 C19 H19A 108.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C11 C22 C24 110.8(3) . . ?
C11 C22 C23 111.4(3) . . ?
C24 C22 C23 111.2(3) . . ?
C11 C22 H22A 107.8 . . ?
C24 C22 H22A 107.8 . . ?
C23 C22 H22A 107.8 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C15 C25 C26 114.1(3) . . ?
C15 C25 C27 109.1(3) . . ?
C26 C25 C27 108.3(3) . . ?
C15 C25 H25A 108.4 . . ?
C26 C25 H25A 108.4 . . ?
C27 C25 H25A 108.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C1A Ru2 C4T 145.51(14) . . ?
C1A Ru2 C3T 155.47(15) . . ?
C4T Ru2 C3T 37.48(15) . . ?
C1A Ru2 C5T 110.07(14) . . ?
C4T Ru2 C5T 37.03(14) . . ?
C3T Ru2 C5T 61.54(16) . . ?
C1A Ru2 C2T 118.98(14) . . ?
C4T Ru2 C2T 61.51(16) . . ?
C3T Ru2 C2T 36.51(14) . . ?
C5T Ru2 C2T 60.63(15) . . ?
C1A Ru2 C1T 98.64(13) . . ?
C4T Ru2 C1T 60.94(15) . . ?
C3T Ru2 C1T 60.42(15) . . ?
C5T Ru2 C1T 36.13(13) . . ?
C2T Ru2 C1T 35.71(13) . . ?
C1A Ru2 Si2 108.66(9) . . ?
C4T Ru2 Si2 95.95(12) . . ?
C3T Ru2 Si2 92.33(11) . . ?
C5T Ru2 Si2 129.81(11) . . ?
C2T Ru2 Si2 122.04(11) . . ?
C1T Ru2 Si2 152.55(10) . . ?
C1A Ru2 H3 78.5(14) . . ?
C4T Ru2 H3 93.2(14) . . ?
C3T Ru2 H3 123.9(14) . . ?
C5T Ru2 H3 96.7(14) . . ?
C2T Ru2 H3 154.3(14) . . ?
C1T Ru2 H3 129.3(14) . . ?
Si2 Ru2 H3 61.5(13) . . ?
C1A Ru2 H4 79.5(12) . . ?
C4T Ru2 H4 134.5(12) . . ?
C3T Ru2 H4 100.2(13) . . ?
C5T Ru2 H4 155.6(13) . . ?
C2T Ru2 H4 95.0(13) . . ?
C1T Ru2 H4 122.0(12) . . ?
Si2 Ru2 H4 62.4(12) . . ?
H3 Ru2 H4 107.3(19) . . ?
C28A Si2 C29A 104.9(2) . . ?
C28A Si2 Cl2 101.72(14) . . ?
C29A Si2 Cl2 97.91(14) . . ?
C28A Si2 Ru2 122.21(13) . . ?
C29A Si2 Ru2 113.99(15) . . ?
Cl2 Si2 Ru2 112.79(5) . . ?
C1A N1A C2A 111.5(3) . . ?
C1A N1A C4A 127.5(3) . . ?
C2A N1A C4A 120.5(3) . . ?
C1A N2A C3A 112.0(3) . . ?
C1A N2A C10A 127.8(3) . . ?
C3A N2A C10A 119.1(3) . . ?
N1A C1A N2A 102.7(3) . . ?
N1A C1A Ru2 126.9(2) . . ?
N2A C1A Ru2 130.4(2) . . ?
C3A C2A N1A 107.1(3) . . ?
C3A C2A H2AA 126.4 . . ?
N1A C2A H2AA 126.4 . . ?
C2A C3A N2A 106.7(3) . . ?
C2A C3A H3AA 126.6 . . ?
N2A C3A H3AA 126.6 . . ?
C5A C4A C9A 121.9(3) . . ?
C5A C4A N1A 119.2(3) . . ?
C9A C4A N1A 118.8(3) . . ?
C6A C5A C4A 117.9(3) . . ?
C6A C5A C16A 120.1(3) . . ?
C4A C5A C16A 121.9(3) . . ?
C7A C6A C5A 120.9(3) . . ?
C7A C6A H6AA 119.5 . . ?
C5A C6A H6AA 119.5 . . ?
C8A C7A C6A 120.3(4) . . ?
C8A C7A H7AA 119.9 . . ?
C6A C7A H7AA 119.9 . . ?
C7A C8A C9A 121.4(4) . . ?
C7A C8A H8AA 119.3 . . ?
C9A C8A H8AA 119.3 . . ?
C8A C9A C4A 117.5(3) . . ?
C8A C9A C19A 120.4(3) . . ?
C4A C9A C19A 122.0(3) . . ?
C11A C10A C15A 123.1(3) . . ?
C11A C10A N2A 119.5(3) . . ?
C15A C10A N2A 117.0(3) . . ?
C10A C11A C12A 116.7(4) . . ?
C10A C11A C22A 122.9(3) . . ?
C12A C11A C22A 120.2(4) . . ?
C13A C12A C11A 121.1(4) . . ?
C13A C12A H12B 119.4 . . ?
C11A C12A H12B 119.4 . . ?
C14A C13A C12A 121.1(4) . . ?
C14A C13A H13B 119.4 . . ?
C12A C13A H13B 119.4 . . ?
C13A C14A C15A 121.1(4) . . ?
C13A C14A H14B 119.5 . . ?
C15A C14A H14B 119.5 . . ?
C14A C15A C10A 116.8(4) . . ?
C14A C15A C25A 120.5(4) . . ?
C10A C15A C25A 122.6(3) . . ?
C5A C16A C17A 111.3(3) . . ?
C5A C16A C18A 112.7(3) . . ?
C17A C16A C18A 110.2(3) . . ?
C5A C16A H16B 107.5 . . ?
C17A C16A H16B 107.5 . . ?
C18A C16A H16B 107.5 . . ?
C16A C17A H17D 109.5 . . ?
C16A C17A H17E 109.5 . . ?
H17D C17A H17E 109.5 . . ?
C16A C17A H17F 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C16A C18A H18D 109.5 . . ?
C16A C18A H18E 109.5 . . ?
H18D C18A H18E 109.5 . . ?
C16A C18A H18F 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C21A C19A C9A 112.0(3) . . ?
C21A C19A C20A 109.0(3) . . ?
C9A C19A C20A 113.0(3) . . ?
C21A C19A H19B 107.5 . . ?
C9A C19A H19B 107.5 . . ?
C20A C19A H19B 107.5 . . ?
C19A C20A H20D 109.5 . . ?
C19A C20A H20E 109.5 . . ?
H20D C20A H20E 109.5 . . ?
C19A C20A H20F 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C19A C21A H21D 109.5 . . ?
C19A C21A H21E 109.5 . . ?
H21D C21A H21E 109.5 . . ?
C19A C21A H21F 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C11A C22A C24A 110.1(4) . . ?
C11A C22A C23A 111.9(4) . . ?
C24A C22A C23A 111.5(4) . . ?
C11A C22A H22B 107.7 . . ?
C24A C22A H22B 107.7 . . ?
C23A C22A H22B 107.7 . . ?
C22A C23A H23D 109.5 . . ?
C22A C23A H23E 109.5 . . ?
H23D C23A H23E 109.5 . . ?
C22A C23A H23F 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
C2T C1T C5T 108.6(4) . . ?
C2T C1T Ru2 71.4(2) . . ?
C5T C1T Ru2 70.1(2) . . ?
C2T C1T H1TA 125.7 . . ?
C5T C1T H1TA 125.7 . . ?
Ru2 C1T H1TA 125.7 . . ?
C1T C2T C3T 107.8(4) . . ?
C1T C2T Ru2 72.9(2) . . ?
C3T C2T Ru2 69.4(2) . . ?
C1T C2T H2TA 126.0 . . ?
C3T C2T H2TA 126.0 . . ?
Ru2 C2T H2TA 126.0 . . ?
C2T C3T C4T 108.3(4) . . ?
C2T C3T Ru2 74.1(2) . . ?
C4T C3T Ru2 70.8(2) . . ?
C2T C3T H3TA 125.7 . . ?
C4T C3T H3TA 125.7 . . ?
Ru2 C3T H3TA 125.7 . . ?
C5T C4T C3T 107.4(4) . . ?
C5T C4T Ru2 73.2(2) . . ?
C3T C4T Ru2 71.8(2) . . ?
C5T C4T H4TA 126.1 . . ?
C3T C4T H4TA 126.1 . . ?
Ru2 C4T H4TA 126.1 . . ?
C1T C5T C4T 107.9(4) . . ?
C1T C5T Ru2 73.8(2) . . ?
C4T C5T Ru2 69.8(2) . . ?
C1T C5T H5TA 126.0 . . ?
C4T C5T H5TA 126.0 . . ?
Ru2 C5T H5TA 126.0 . . ?
C22A C24A H24A 109.5 . . ?
C22A C24A H24B 109.5 . . ?
H24A C24A H24B 109.5 . . ?
C22A C24A H24C 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C15A C25A C26A 113.3(4) . . ?
C15A C25A C27A 110.3(4) . . ?
C26A C25A C27A 109.9(3) . . ?
C15A C25A H25B 107.7 . . ?
C26A C25A H25B 107.7 . . ?
C27A C25A H25B 107.7 . . ?
C25A C26A H26D 109.5 . . ?
C25A C26A H26E 109.5 . . ?
H26D C26A H26E 109.5 . . ?
C25A C26A H26F 109.5 . . ?
H26D C26A H26F 109.5 . . ?
H26E C26A H26F 109.5 . . ?
C25A C27A H27D 109.5 . . ?
C25A C27A H27E 109.5 . . ?
H27D C27A H27E 109.5 . . ?
C25A C27A H27F 109.5 . . ?
H27D C27A H27F 109.5 . . ?
H27E C27A H27F 109.5 . . ?
Si2 C28A H28D 109.5 . . ?
Si2 C28A H28E 109.5 . . ?
H28D C28A H28E 109.5 . . ?
Si2 C28A H28F 109.5 . . ?
H28D C28A H28F 109.5 . . ?
H28E C28A H28F 109.5 . . ?
Si2 C29A H29D 109.5 . . ?
Si2 C29A H29E 109.5 . . ?
H29D C29A H29E 109.5 . . ?
Si2 C29A H29F 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?
C22 C24 H24D 109.5 . . ?
C22 C24 H24E 109.5 . . ?
H24D C24 H24E 109.5 . . ?
C22 C24 H24F 109.5 . . ?
H24D C24 H24F 109.5 . . ?
H24E C24 H24F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.969
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.969
_refine_diff_density_max         0.884
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.117
####################################################################### 
# 
# 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_6d
_database_code_depnum_ccdc_archive 'CCDC 1431455'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2015-11-15 downloaded from the CCDC.
;

_audit_creation_date             2015-06-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_formula_moiety         'C38 H50 N2 Ru Si'
_chemical_formula_sum            'C38 H50 N2 Ru Si'
_chemical_formula_weight         663.98
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Si 0.08192 0.07060 6.29150 3.03530 1.98910 1.54100 2.43860 32.33370 0.67850
81.69370 1.14069998264
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Ru -1.23940 0.83517 19.26740 12.91820 4.86337 1.56756 0.80852 8.43467 24.79970
94.29280 5.37873983383
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   10.0980(4)
_cell_length_b                   16.7278(6)
_cell_length_c                   20.6290(7)
_cell_angle_alpha                93.744(3)
_cell_angle_beta                 94.745(3)
_cell_angle_gamma                91.931(3)
_cell_volume                     3462.6(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    123.15
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5362
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.2736
_exptl_crystal_description       block
_exptl_crystal_F_000             1395.7520
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_diffrn_reflns_av_R_equivalents  0.1167
_diffrn_reflns_av_unetI/netI     0.1511
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            77798
_diffrn_reflns_theta_full        27.4998
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.95
_diffrn_ambient_temperature      123.15
_diffrn_measured_fraction_theta_full 0.9987
_diffrn_measured_fraction_theta_max 0.9987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              21
_reflns_limit_k_min              -21
_reflns_limit_l_max              26
_reflns_limit_l_min              0
_reflns_number_gt                10975
_reflns_number_total             15872
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_refine_diff_density_max         1.4293
_refine_diff_density_min         -0.9879
_refine_diff_density_rms         0.2150
_refine_ls_d_res_high            0.7696
_refine_ls_d_res_low             6.8988
_refine_ls_goodness_of_fit_ref   1.0567
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    152
_refine_ls_number_parameters     782
_refine_ls_number_reflns         15872
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0987
_refine_ls_R_factor_gt           0.0619
_refine_ls_restrained_S_all      1.0567
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0494P)²+4.9576P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1363
_refine_ls_wR_factor_ref         0.1544
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Uiso: H2e(0.04864)
3.a Ternary CH refined with riding coordinates:
 C1C(H1Ca), C2C(H2C), C3C(H3C), C4C(H4C), C5C(H5C), C16(H16), C19(H19),
 C22(H22), C25(H25), C1D(H1Da), C2D(H2Da), C3D(H3D), C4D(H4D), C5D(H5D),
 C16A(H16A), C19A(H19A), C22A(H22A), C25A(H25A)
3.b Me refined with riding coordinates:
 C17(H17a,H17b,H17c), C18(H18a,H18b,H18c), C20(H20a,H20b,H20c), C21(H21a,H21b,
 H21c), C23(H23a,H23b,H23c), C24(H24a,H24b,H24c), C26(H26a,H26b,H26c), C27(H27a,
 H27b,H27c), C17A(H17d,H17e,H17f), C18A(H18d,H18e,H18f), C20A(H20d,H20e,H20f),
 C21A(H21d,H21e,H21f), C23A(H23d,H23e,H23f), C24A(H24d,H24e,H24f), C26A(H26d,
 H26e,H26f), C27A(H27d,H27e,H27f)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14),
 C29(H29), C30(H30), C31(H31), C32(H32), C33(H33), C2A(H2Aa), C3A(H3A),
 C6A(H6A), C7A(H7A), C8A(H8A), C12A(H12A), C13A(H13A), C14A(H14A), C29A(H29A),
 C30A(H30A), C31A(H31A), C32A(H32A), C33A(H33A)
;
_atom_sites_solution_primary     direct
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_refinement_flags_posn
Ru1 Ru 0.44551(4) 0.89865(2) 0.700483(18) 0.01890(10) Uani 1.000000 .
Ru2 Ru 0.51844(4) 0.40500(2) 0.786820(18) 0.01841(10) Uani 1.000000 .
Si1 Si 0.59997(14) 0.99949(8) 0.74171(7) 0.0247(3) Uani 1.000000 .
Si2 Si 0.37765(14) 0.50059(8) 0.74552(7) 0.0231(3) Uani 1.000000 .
N1 N 0.1835(4) 0.9773(2) 0.66234(18) 0.0200(8) Uani 1.000000 .
N2 N 0.1997(4) 0.9610(2) 0.76497(18) 0.0204(8) Uani 1.000000 .
C1C C 0.3806(5) 0.7691(3) 0.6677(2) 0.0272(11) Uani 1.000000 .
H1Ca H 0.2885(5) 0.7453(3) 0.6681(2) 0.0326(13) Uiso 1.000000 R
C2C C 0.4309(5) 0.8072(3) 0.6147(2) 0.0241(11) Uani 1.000000 .
H2C H 0.3830(5) 0.8127(3) 0.5709(2) 0.0290(13) Uiso 1.000000 R
C3C C 0.5669(5) 0.8297(3) 0.6342(2) 0.0277(11) Uani 1.000000 .
H3C H 0.6321(5) 0.8528(3) 0.6059(2) 0.0332(14) Uiso 1.000000 R
C4C C 0.5969(5) 0.8054(3) 0.6987(2) 0.0286(12) Uani 1.000000 .
H4C H 0.6865(5) 0.8089(3) 0.7236(2) 0.0343(14) Uiso 1.000000 R
C5C C 0.4807(5) 0.7678(3) 0.7181(2) 0.0270(11) Uani 1.000000 .
H5C H 0.4728(5) 0.7424(3) 0.7602(2) 0.0324(14) Uiso 1.000000 R
C1 C 0.2672(4) 0.9480(3) 0.7104(2) 0.0180(9) Uani 1.000000 .
C2 C 0.0696(5) 1.0080(3) 0.6873(2) 0.0256(11) Uani 1.000000 .
H2 H -0.0012(5) 1.0321(3) 0.6635(2) 0.0307(13) Uiso 1.000000 R
C3 C 0.0794(5) 0.9969(3) 0.7511(2) 0.0272(11) Uani 1.000000 .
H3 H 0.0163(5) 1.0109(3) 0.7812(2) 0.0326(13) Uiso 1.000000 R
C4 C 0.1970(5) 0.9684(3) 0.5936(2) 0.0206(10) Uani 1.000000 .
C5 C 0.1340(5) 0.9005(3) 0.5583(2) 0.0209(10) Uani 1.000000 .
C6 C 0.1438(5) 0.8951(3) 0.4915(2) 0.0251(11) Uani 1.000000 .
H6 H 0.0986(5) 0.8519(3) 0.4656(2) 0.0301(13) Uiso 1.000000 R
C7 C 0.2173(5) 0.9505(3) 0.4615(2) 0.0303(12) Uani 1.000000 .
H7 H 0.2251(5) 0.9440(3) 0.4159(2) 0.0363(14) Uiso 1.000000 R
C8 C 0.2798(5) 1.0160(3) 0.4978(2) 0.0261(11) Uani 1.000000 .
H8 H 0.3306(5) 1.0537(3) 0.4766(2) 0.0313(13) Uiso 1.000000 R
C9 C 0.2694(5) 1.0273(3) 0.5649(2) 0.0225(10) Uani 1.000000 .
C10 C 0.2348(5) 0.9331(3) 0.8288(2) 0.0216(10) Uani 1.000000 .
C11 C 0.1985(5) 0.8538(3) 0.8393(2) 0.0250(11) Uani 1.000000 .
C12 C 0.2281(6) 0.8287(3) 0.9018(2) 0.0349(13) Uani 1.000000 .
H12 H 0.2043(6) 0.7754(3) 0.9109(2) 0.0419(16) Uiso 1.000000 R
C13 C 0.2913(6) 0.8799(4) 0.9502(3) 0.0410(15) Uani 1.000000 .
H13 H 0.3113(6) 0.8613(4) 0.9923(3) 0.0493(18) Uiso 1.000000 R
C14 C 0.3260(6) 0.9577(3) 0.9389(2) 0.0375(14) Uani 1.000000 .
H14 H 0.3694(6) 0.9922(3) 0.9732(2) 0.0451(17) Uiso 1.000000 R
C15 C 0.2975(5) 0.9866(3) 0.8770(2) 0.0271(11) Uani 1.000000 .
C16 C 0.0603(5) 0.8363(3) 0.5917(2) 0.0259(11) Uani 1.000000 .
H16 H 0.0989(5) 0.8379(3) 0.6380(2) 0.0310(13) Uiso 1.000000 R
C17 C 0.0770(5) 0.7521(3) 0.5613(3) 0.0307(12) Uani 1.000000 .
H17a H 0.0278(5) 0.7132(3) 0.5845(3) 0.0460(18) Uiso 1.000000 R
H17b H 0.0424(5) 0.7491(3) 0.5153(3) 0.0460(18) Uiso 1.000000 R
H17c H 0.1715(5) 0.7400(3) 0.5644(3) 0.0460(18) Uiso 1.000000 R
C18 C -0.0879(5) 0.8515(3) 0.5926(3) 0.0320(12) Uani 1.000000 .
H18a H -0.1312(5) 0.8088(3) 0.6145(3) 0.0480(18) Uiso 1.000000 R
H18b H -0.0994(5) 0.9033(3) 0.6160(3) 0.0480(18) Uiso 1.000000 R
H18c H -0.1281(5) 0.8521(3) 0.5477(3) 0.0480(18) Uiso 1.000000 R
C19 C 0.3286(5) 1.1019(3) 0.6038(2) 0.0251(11) Uani 1.000000 .
H19 H 0.3526(5) 1.0865(3) 0.6492(2) 0.0301(13) Uiso 1.000000 R
C20 C 0.4547(6) 1.1346(4) 0.5785(3) 0.0475(16) Uani 1.000000 .
H20a H 0.4879(6) 1.1825(4) 0.6056(3) 0.071(2) Uiso 1.000000 R
H20b H 0.5222(6) 1.0938(4) 0.5802(3) 0.071(2) Uiso 1.000000 R
H20c H 0.4358(6) 1.1485(4) 0.5334(3) 0.071(2) Uiso 1.000000 R
C21 C 0.2270(6) 1.1668(3) 0.6083(3) 0.0365(13) Uani 1.000000 .
H21a H 0.1462(6) 1.1446(3) 0.6248(3) 0.055(2) Uiso 1.000000 R
H21b H 0.2641(6) 1.2115(3) 0.6381(3) 0.055(2) Uiso 1.000000 R
H21c H 0.2053(6) 1.1860(3) 0.5650(3) 0.055(2) Uiso 1.000000 R
C22 C 0.1227(5) 0.7983(3) 0.7873(2) 0.0264(11) Uani 1.000000 .
H22 H 0.1493(5) 0.8142(3) 0.7442(2) 0.0317(13) Uiso 1.000000 R
C23 C 0.1530(6) 0.7097(3) 0.7921(3) 0.0378(13) Uani 1.000000 .
H23a H 0.1006(6) 0.6775(3) 0.7571(3) 0.057(2) Uiso 1.000000 R
H23b H 0.2480(6) 0.7025(3) 0.7880(3) 0.057(2) Uiso 1.000000 R
H23c H 0.1300(6) 0.6925(3) 0.8344(3) 0.057(2) Uiso 1.000000 R
C24 C -0.0266(6) 0.8081(4) 0.7873(3) 0.0419(14) Uiso 1.000000 .
H24a H -0.0730(6) 0.7715(4) 0.7532(3) 0.063(2) Uiso 1.000000 R
H24b H -0.0554(6) 0.7956(4) 0.8299(3) 0.063(2) Uiso 1.000000 R
H24c H -0.0474(6) 0.8635(4) 0.7790(3) 0.063(2) Uiso 1.000000 R
C25 C 0.3361(5) 1.0728(3) 0.8653(2) 0.0277(11) Uani 1.000000 .
H25 H 0.3517(5) 1.0746(3) 0.8182(2) 0.0332(14) Uiso 1.000000 R
C26 C 0.4628(6) 1.1034(3) 0.9047(3) 0.0346(13) Uani 1.000000 .
H26a H 0.4826(6) 1.1590(3) 0.8952(3) 0.0519(19) Uiso 1.000000 R
H26b H 0.4515(6) 1.1011(3) 0.9513(3) 0.0519(19) Uiso 1.000000 R
H26c H 0.5363(6) 1.0700(3) 0.8931(3) 0.0519(19) Uiso 1.000000 R
C27 C 0.2245(6) 1.1294(3) 0.8787(3) 0.0424(15) Uani 1.000000 .
H27a H 0.1423(6) 1.1096(3) 0.8532(3) 0.064(2) Uiso 1.000000 R
H27b H 0.2106(6) 1.1317(3) 0.9253(3) 0.064(2) Uiso 1.000000 R
H27c H 0.2489(6) 1.1831(3) 0.8663(3) 0.064(2) Uiso 1.000000 R
C28 C 0.7023(5) 0.9831(3) 0.8214(2) 0.0257(11) Uani 1.000000 .
C29 C 0.6798(5) 0.9175(3) 0.8585(2) 0.0309(12) Uani 1.000000 .
H29 H 0.6113(5) 0.8787(3) 0.8435(2) 0.0371(14) Uiso 1.000000 R
C30 C 0.7550(6) 0.9077(4) 0.9164(3) 0.0397(14) Uani 1.000000 .
H30 H 0.7382(6) 0.8627(4) 0.9407(3) 0.0476(17) Uiso 1.000000 R
C31 C 0.8541(6) 0.9636(4) 0.9383(3) 0.0485(16) Uani 1.000000 .
H31 H 0.9069(6) 0.9567(4) 0.9777(3) 0.058(2) Uiso 1.000000 R
C32 C 0.8778(6) 1.0298(4) 0.9034(3) 0.0457(16) Uani 1.000000 .
H32 H 0.9458(6) 1.0685(4) 0.9190(3) 0.0549(19) Uiso 1.000000 R
C33 C 0.8023(5) 1.0391(3) 0.8458(3) 0.0331(12) Uani 1.000000 .
H33 H 0.8187(5) 1.0849(3) 0.8223(3) 0.0397(15) Uiso 1.000000 R
C1D C 0.5065(5) 0.3213(3) 0.8677(2) 0.0255(11) Uani 1.000000 .
H1Da H 0.5445(5) 0.3318(3) 0.9139(2) 0.0306(13) Uiso 1.000000 R
C2D C 0.5688(5) 0.2795(3) 0.8158(2) 0.0247(11) Uani 1.000000 .
H2Da H 0.6597(5) 0.2573(3) 0.8193(2) 0.0297(13) Uiso 1.000000 R
C3D C 0.4790(5) 0.2712(3) 0.7617(3) 0.0274(11) Uani 1.000000 .
H3D H 0.4951(5) 0.2424(3) 0.7192(3) 0.0329(14) Uiso 1.000000 R
C4D C 0.3598(5) 0.3085(3) 0.7753(3) 0.0291(12) Uani 1.000000 .
H4D H 0.2762(5) 0.3075(3) 0.7456(3) 0.0349(14) Uiso 1.000000 R
C5D C 0.3759(5) 0.3394(3) 0.8416(2) 0.0260(11) Uani 1.000000 .
H5D H 0.3052(5) 0.3639(3) 0.8668(2) 0.0312(13) Uiso 1.000000 R
N1A N 0.7874(4) 0.4847(2) 0.84002(18) 0.0201(8) Uani 1.000000 .
N2A N 0.7850(4) 0.4597(2) 0.73653(17) 0.0177(8) Uani 1.000000 .
C1A C 0.7064(4) 0.4524(3) 0.7872(2) 0.0168(9) Uani 1.000000 .
C2A C 0.9102(5) 0.5102(3) 0.8221(2) 0.0233(10) Uani 1.000000 .
H2Aa H 0.9820(5) 0.5342(3) 0.8502(2) 0.0280(12) Uiso 1.000000 R
C3A C 0.9085(5) 0.4947(3) 0.7576(2) 0.0250(11) Uani 1.000000 .
H3A H 0.9788(5) 0.5057(3) 0.7312(2) 0.0300(13) Uiso 1.000000 R
C4A C 0.7556(4) 0.4878(3) 0.9073(2) 0.0195(10) Uani 1.000000 .
C5A C 0.6875(5) 0.5537(3) 0.9311(2) 0.0215(10) Uani 1.000000 .
C6A C 0.6578(5) 0.5547(3) 0.9961(2) 0.0281(11) Uani 1.000000 .
H6A H 0.6118(5) 0.5982(3) 1.0143(2) 0.0337(13) Uiso 1.000000 R
C7A C 0.6945(6) 0.4930(3) 1.0343(2) 0.0320(12) Uani 1.000000 .
H7A H 0.6716(6) 0.4943(3) 1.0781(2) 0.0384(15) Uiso 1.000000 R
C8A C 0.7637(5) 0.4294(3) 1.0100(2) 0.0304(12) Uani 1.000000 .
H8A H 0.7905(5) 0.3885(3) 1.0376(2) 0.0365(14) Uiso 1.000000 R
C9A C 0.7946(5) 0.4251(3) 0.9449(2) 0.0240(10) Uani 1.000000 .
C10A C 0.7538(4) 0.4280(3) 0.6699(2) 0.0182(9) Uani 1.000000 .
C11A C 0.6995(5) 0.4787(3) 0.6243(2) 0.0207(10) Uani 1.000000 .
C12A C 0.6749(5) 0.4466(3) 0.5601(2) 0.0296(12) Uani 1.000000 .
H12A H 0.6408(5) 0.4797(3) 0.5274(2) 0.0355(14) Uiso 1.000000 R
C13A C 0.6995(6) 0.3680(3) 0.5433(3) 0.0361(13) Uani 1.000000 .
H13A H 0.6804(6) 0.3470(3) 0.4995(3) 0.0433(16) Uiso 1.000000 R
C14A C 0.7515(5) 0.3194(3) 0.5896(2) 0.0296(12) Uani 1.000000 .
H14A H 0.7667(5) 0.2650(3) 0.5773(2) 0.0355(14) Uiso 1.000000 R
C15A C 0.7821(5) 0.3484(3) 0.6540(2) 0.0209(10) Uani 1.000000 .
C16A C 0.6554(5) 0.6243(3) 0.8898(2) 0.0272(11) Uani 1.000000 .
H16A H 0.6478(5) 0.6035(3) 0.8430(2) 0.0327(13) Uiso 1.000000 R
C17A C 0.5264(6) 0.6631(4) 0.9028(3) 0.0414(15) Uani 1.000000 .
H17d H 0.4532(6) 0.6226(4) 0.8966(3) 0.062(2) Uiso 1.000000 R
H17e H 0.5325(6) 0.6867(4) 0.9478(3) 0.062(2) Uiso 1.000000 R
H17f H 0.5098(6) 0.7052(4) 0.8726(3) 0.062(2) Uiso 1.000000 R
C18A C 0.7702(6) 0.6861(3) 0.8992(3) 0.0484(17) Uani 1.000000 .
H18d H 0.8532(6) 0.6602(3) 0.8906(3) 0.073(2) Uiso 1.000000 R
H18e H 0.7544(6) 0.7283(3) 0.8690(3) 0.073(2) Uiso 1.000000 R
H18f H 0.7772(6) 0.7098(3) 0.9442(3) 0.073(2) Uiso 1.000000 R
C19A C 0.8724(5) 0.3555(3) 0.9180(2) 0.0265(11) Uani 1.000000 .
H19A H 0.8513(5) 0.3503(3) 0.8697(2) 0.0318(13) Uiso 1.000000 R
C20A C 1.0225(6) 0.3737(4) 0.9310(3) 0.0433(15) Uani 1.000000 .
H20d H 1.0709(6) 0.3284(4) 0.9135(3) 0.065(2) Uiso 1.000000 R
H20e H 1.0468(6) 0.4222(4) 0.9098(3) 0.065(2) Uiso 1.000000 R
H20f H 1.0458(6) 0.3821(4) 0.9781(3) 0.065(2) Uiso 1.000000 R
C21A C 0.8360(6) 0.2748(3) 0.9440(3) 0.0388(14) Uani 1.000000 .
H21d H 0.8894(6) 0.2331(3) 0.9248(3) 0.058(2) Uiso 1.000000 R
H21e H 0.8537(6) 0.2782(3) 0.9916(3) 0.058(2) Uiso 1.000000 R
H21f H 0.7414(6) 0.2614(3) 0.9324(3) 0.058(2) Uiso 1.000000 R
C22A C 0.6704(5) 0.5654(3) 0.6426(2) 0.0232(10) Uani 1.000000 .
H22A H 0.6488(5) 0.5689(3) 0.6891(2) 0.0278(13) Uiso 1.000000 R
C23A C 0.5503(5) 0.5943(3) 0.6014(2) 0.0269(11) Uani 1.000000 .
H23d H 0.5354(5) 0.6503(3) 0.6148(2) 0.0404(17) Uiso 1.000000 R
H23e H 0.5675(5) 0.5900(3) 0.5552(2) 0.0404(17) Uiso 1.000000 R
H23f H 0.4712(5) 0.5611(3) 0.6077(2) 0.0404(17) Uiso 1.000000 R
C24A C 0.7919(5) 0.6216(3) 0.6376(3) 0.0333(13) Uani 1.000000 .
H24d H 0.7697(5) 0.6769(3) 0.6497(3) 0.0500(19) Uiso 1.000000 R
H24e H 0.8660(5) 0.6059(3) 0.6672(3) 0.0500(19) Uiso 1.000000 R
H24f H 0.8176(5) 0.6179(3) 0.5928(3) 0.0500(19) Uiso 1.000000 R
C25A C 0.8493(5) 0.2964(3) 0.7036(2) 0.0251(11) Uani 1.000000 .
H25A H 0.8268(5) 0.3168(3) 0.7478(2) 0.0301(13) Uiso 1.000000 R
C26A C 1.0017(6) 0.3039(4) 0.7023(3) 0.0462(16) Uani 1.000000 .
H26d H 1.0439(6) 0.2701(4) 0.7345(3) 0.069(2) Uiso 1.000000 R
H26e H 1.0261(6) 0.2865(4) 0.6587(3) 0.069(2) Uiso 1.000000 R
H26f H 1.0318(6) 0.3599(4) 0.7128(3) 0.069(2) Uiso 1.000000 R
C27A C 0.8063(6) 0.2080(3) 0.6942(3) 0.0320(12) Uani 1.000000 .
H27d H 0.8537(6) 0.1785(3) 0.7279(3) 0.0480(18) Uiso 1.000000 R
H27e H 0.7103(6) 0.2021(3) 0.6976(3) 0.0480(18) Uiso 1.000000 R
H27f H 0.8272(6) 0.1866(3) 0.6510(3) 0.0480(18) Uiso 1.000000 R
C28A C 0.2780(5) 0.4709(3) 0.6648(2) 0.0237(10) Uani 1.000000 .
C29A C 0.3038(5) 0.4049(3) 0.6236(2) 0.0294(12) Uani 1.000000 .
H29A H 0.3792(5) 0.3744(3) 0.6342(2) 0.0353(14) Uiso 1.000000 R
C30A C 0.2222(5) 0.3827(3) 0.5675(2) 0.0301(12) Uani 1.000000 .
H30A H 0.2440(5) 0.3385(3) 0.5396(2) 0.0361(14) Uiso 1.000000 R
C31A C 0.1100(6) 0.4242(3) 0.5518(2) 0.0347(13) Uani 1.000000 .
H31A H 0.0519(6) 0.4072(3) 0.5145(2) 0.0417(16) Uiso 1.000000 R
C32A C 0.0828(5) 0.4899(4) 0.5904(3) 0.0361(13) Uani 1.000000 .
H32A H 0.0066(5) 0.5195(4) 0.5792(3) 0.0434(16) Uiso 1.000000 R
C33A C 0.1662(5) 0.5141(3) 0.6461(2) 0.0282(11) Uani 1.000000 .
H33A H 0.1468(5) 0.5607(3) 0.6719(2) 0.0338(14) Uiso 1.000000 R
H1a H 0.456(4) 0.979(3) 0.689(2) 0.016(12) Uiso 1.000000 .
H1b H 0.465(5) 0.925(3) 0.769(2) 0.029(14) Uiso 1.000000 .
H1c H 0.566(4) 1.075(2) 0.7521(19) 0.008(10) Uiso 1.000000 .
H2a H 0.416(4) 0.577(2) 0.7391(19) 0.008(10) Uiso 1.000000 .
H1d H 0.710(4) 1.008(3) 0.696(2) 0.013(11) Uiso 1.000000 .
H2b H 0.265(5) 0.523(3) 0.791(2) 0.030(14) Uiso 1.000000 .
H2d H 0.515(4) 0.480(3) 0.795(2) 0.012(11) Uiso 1.000000 .
H2e H 0.497(6) 0.424(3) 0.710(3) 0.048640 Uiso 1.000000 .


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 Si1 2.3275(15) . ?
Ru1 C1C 2.286(5) . ?
Ru1 C2C 2.255(5) . ?
Ru1 C3C 2.208(5) . ?
Ru1 C4C 2.221(5) . ?
Ru1 C5C 2.277(5) . ?
Ru1 C1 2.026(4) . ?
Ru2 Si2 2.3312(14) . ?
Ru2 C1D 2.255(4) . ?
Ru2 C2D 2.283(5) . ?
Ru2 C3D 2.278(5) . ?
Ru2 C4D 2.223(5) . ?
Ru2 C5D 2.209(5) . ?
Ru2 C1A 2.031(4) . ?
Si1 C28 1.909(5) . ?
Si2 C28A 1.900(5) . ?
N1 C1 1.375(5) . ?
N1 C2 1.398(6) . ?
N1 C4 1.434(6) . ?
N2 C1 1.373(6) . ?
N2 C3 1.390(6) . ?
N2 C10 1.446(6) . ?
C1C C2C 1.422(7) . ?
C1C C5C 1.391(7) . ?
C2C C3C 1.430(7) . ?
C3C C4C 1.429(7) . ?
C4C C5C 1.412(7) . ?
C2 C3 1.338(7) . ?
C4 C5 1.412(7) . ?
C4 C9 1.398(6) . ?
C5 C6 1.387(6) . ?
C5 C16 1.520(6) . ?
C6 C7 1.377(7) . ?
C7 C8 1.388(7) . ?
C8 C9 1.399(7) . ?
C9 C19 1.516(7) . ?
C10 C11 1.399(7) . ?
C10 C15 1.390(7) . ?
C11 C12 1.393(7) . ?
C11 C22 1.512(7) . ?
C12 C13 1.374(7) . ?
C13 C14 1.376(7) . ?
C14 C15 1.405(7) . ?
C15 C25 1.522(7) . ?
C16 C17 1.524(7) . ?
C16 C18 1.527(6) . ?
C19 C20 1.515(7) . ?
C19 C21 1.521(7) . ?
C22 C23 1.532(7) . ?
C22 C24 1.521(7) . ?
C25 C26 1.513(7) . ?
C25 C27 1.527(8) . ?
C28 C29 1.401(7) . ?
C28 C33 1.394(7) . ?
C29 C30 1.382(7) . ?
C30 C31 1.374(9) . ?
C31 C32 1.384(9) . ?
C32 C33 1.378(7) . ?
C1D C2D 1.442(7) . ?
C1D C5D 1.433(7) . ?
C2D C3D 1.375(7) . ?
C3D C4D 1.413(7) . ?
C4D C5D 1.426(7) . ?
N1A C1A 1.377(6) . ?
N1A C2A 1.385(6) . ?
N1A C4A 1.448(6) . ?
N2A C1A 1.373(5) . ?
N2A C3A 1.384(6) . ?
N2A C10A 1.446(6) . ?
C2A C3A 1.337(7) . ?
C4A C5A 1.402(7) . ?
C4A C9A 1.393(6) . ?
C5A C6A 1.399(6) . ?
C5A C16A 1.528(7) . ?
C6A C7A 1.380(7) . ?
C7A C8A 1.382(8) . ?
C8A C9A 1.401(7) . ?
C9A C19A 1.527(7) . ?
C10A C11A 1.398(6) . ?
C10A C15A 1.395(6) . ?
C11A C12A 1.397(7) . ?
C11A C22A 1.519(6) . ?
C12A C13A 1.374(7) . ?
C13A C14A 1.376(7) . ?
C14A C15A 1.390(7) . ?
C15A C25A 1.519(6) . ?
C16A C17A 1.511(7) . ?
C16A C18A 1.520(7) . ?
C19A C20A 1.534(7) . ?
C19A C21A 1.529(7) . ?
C22A C23A 1.533(6) . ?
C22A C24A 1.535(7) . ?
C25A C26A 1.542(7) . ?
C25A C27A 1.522(7) . ?
C28A C29A 1.394(7) . ?
C28A C33A 1.401(7) . ?
C29A C30A 1.387(7) . ?
C30A C31A 1.374(7) . ?
C31A C32A 1.364(8) . ?
C32A C33A 1.397(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1C Ru1 Si1 153.83(13) . . ?
C2C Ru1 Si1 134.96(13) . . ?
C2C Ru1 C1C 36.50(17) . . ?
C3C Ru1 Si1 100.11(14) . . ?
C3C Ru1 C1C 61.11(18) . . ?
C3C Ru1 C2C 37.36(18) . . ?
C4C Ru1 Si1 93.27(14) . . ?
C4C Ru1 C1C 60.64(18) . . ?
C4C Ru1 C2C 62.21(18) . . ?
C4C Ru1 C3C 37.63(18) . . ?
C5C Ru1 Si1 120.95(14) . . ?
C5C Ru1 C1C 35.49(18) . . ?
C5C Ru1 C2C 60.86(17) . . ?
C5C Ru1 C3C 61.41(18) . . ?
C5C Ru1 C4C 36.57(18) . . ?
C1 Ru1 Si1 104.12(13) . . ?
C1 Ru1 C1C 101.02(18) . . ?
C1 Ru1 C2C 110.41(18) . . ?
C1 Ru1 C3C 145.36(18) . . ?
C1 Ru1 C4C 158.75(19) . . ?
C1 Ru1 C5C 122.20(18) . . ?
C1D Ru2 Si2 133.42(13) . . ?
C2D Ru2 Si2 154.20(13) . . ?
C2D Ru2 C1D 37.04(17) . . ?
C3D Ru2 Si2 122.02(14) . . ?
C3D Ru2 C1D 60.44(18) . . ?
C3D Ru2 C2D 35.08(18) . . ?
C4D Ru2 Si2 93.30(14) . . ?
C4D Ru2 C1D 62.11(18) . . ?
C4D Ru2 C2D 60.91(18) . . ?
C4D Ru2 C3D 36.57(17) . . ?
C5D Ru2 Si2 98.86(14) . . ?
C5D Ru2 C1D 37.43(18) . . ?
C5D Ru2 C2D 61.78(18) . . ?
C5D Ru2 C3D 61.21(18) . . ?
C5D Ru2 C4D 37.54(18) . . ?
C1A Ru2 Si2 106.24(12) . . ?
C1A Ru2 C1D 110.18(17) . . ?
C1A Ru2 C2D 98.65(17) . . ?
C1A Ru2 C3D 119.39(17) . . ?
C1A Ru2 C4D 155.95(18) . . ?
C1A Ru2 C5D 146.00(18) . . ?
C28 Si1 Ru1 117.50(17) . . ?
C28A Si2 Ru2 116.34(16) . . ?
C2 N1 C1 111.5(4) . . ?
C4 N1 C1 125.9(4) . . ?
C4 N1 C2 122.0(4) . . ?
C3 N2 C1 112.1(4) . . ?
C10 N2 C1 126.5(4) . . ?
C10 N2 C3 120.9(4) . . ?
C2C C1C Ru1 70.5(3) . . ?
C5C C1C Ru1 71.9(3) . . ?
C5C C1C C2C 109.3(5) . . ?
C1C C2C Ru1 73.0(3) . . ?
C3C C2C Ru1 69.5(3) . . ?
C3C C2C C1C 106.5(4) . . ?
C2C C3C Ru1 73.1(3) . . ?
C4C C3C Ru1 71.7(3) . . ?
C4C C3C C2C 108.0(4) . . ?
C3C C4C Ru1 70.7(3) . . ?
C5C C4C Ru1 73.9(3) . . ?
C5C C4C C3C 107.5(4) . . ?
C1C C5C Ru1 72.6(3) . . ?
C4C C5C Ru1 69.6(3) . . ?
C4C C5C C1C 108.6(4) . . ?
N1 C1 Ru1 127.4(3) . . ?
N2 C1 Ru1 129.9(3) . . ?
N2 C1 N1 102.7(4) . . ?
C3 C2 N1 106.9(4) . . ?
C2 C3 N2 106.8(4) . . ?
C5 C4 N1 117.6(4) . . ?
C9 C4 N1 118.9(4) . . ?
C9 C4 C5 123.5(4) . . ?
C6 C5 C4 116.5(4) . . ?
C16 C5 C4 121.8(4) . . ?
C16 C5 C6 121.7(4) . . ?
C7 C6 C5 121.9(5) . . ?
C8 C7 C6 120.2(5) . . ?
C9 C8 C7 121.1(5) . . ?
C8 C9 C4 116.8(5) . . ?
C19 C9 C4 121.9(4) . . ?
C19 C9 C8 121.3(4) . . ?
C11 C10 N2 117.7(4) . . ?
C15 C10 N2 118.9(4) . . ?
C15 C10 C11 123.4(4) . . ?
C12 C11 C10 117.1(5) . . ?
C22 C11 C10 122.4(4) . . ?
C22 C11 C12 120.4(5) . . ?
C13 C12 C11 120.9(5) . . ?
C14 C13 C12 121.2(5) . . ?
C15 C14 C13 120.4(5) . . ?
C14 C15 C10 117.1(5) . . ?
C25 C15 C10 123.1(4) . . ?
C25 C15 C14 119.8(5) . . ?
C17 C16 C5 112.7(4) . . ?
C18 C16 C5 112.3(4) . . ?
C18 C16 C17 109.1(4) . . ?
C20 C19 C9 113.5(4) . . ?
C21 C19 C9 111.2(4) . . ?
C21 C19 C20 110.6(5) . . ?
C23 C22 C11 114.0(4) . . ?
C24 C22 C11 111.3(4) . . ?
C24 C22 C23 109.3(4) . . ?
C26 C25 C15 113.1(4) . . ?
C27 C25 C15 111.7(4) . . ?
C27 C25 C26 109.4(5) . . ?
C29 C28 Si1 123.0(4) . . ?
C33 C28 Si1 119.7(4) . . ?
C33 C28 C29 117.2(5) . . ?
C30 C29 C28 121.6(5) . . ?
C31 C30 C29 119.4(6) . . ?
C32 C31 C30 120.6(5) . . ?
C33 C32 C31 119.7(6) . . ?
C32 C33 C28 121.5(5) . . ?
C2D C1D Ru2 72.5(3) . . ?
C5D C1D Ru2 69.5(3) . . ?
C5D C1D C2D 106.7(4) . . ?
C1D C2D Ru2 70.4(3) . . ?
C3D C2D Ru2 72.3(3) . . ?
C3D C2D C1D 108.2(4) . . ?
C2D C3D Ru2 72.6(3) . . ?
C4D C3D Ru2 69.6(3) . . ?
C4D C3D C2D 110.0(5) . . ?
C3D C4D Ru2 73.8(3) . . ?
C5D C4D Ru2 70.7(3) . . ?
C5D C4D C3D 107.2(5) . . ?
C1D C5D Ru2 73.0(3) . . ?
C4D C5D Ru2 71.8(3) . . ?
C4D C5D C1D 107.8(4) . . ?
C2A N1A C1A 111.7(4) . . ?
C4A N1A C1A 125.8(4) . . ?
C4A N1A C2A 122.4(4) . . ?
C3A N2A C1A 111.7(4) . . ?
C10A N2A C1A 126.3(4) . . ?
C10A N2A C3A 121.7(4) . . ?
N1A C1A Ru2 127.6(3) . . ?
N2A C1A Ru2 129.8(3) . . ?
N2A C1A N1A 102.6(4) . . ?
C3A C2A N1A 106.9(4) . . ?
C2A C3A N2A 107.1(4) . . ?
C5A C4A N1A 118.3(4) . . ?
C9A C4A N1A 118.2(4) . . ?
C9A C4A C5A 123.5(4) . . ?
C6A C5A C4A 116.8(4) . . ?
C16A C5A C4A 121.9(4) . . ?
C16A C5A C6A 121.1(4) . . ?
C7A C6A C5A 120.7(5) . . ?
C8A C7A C6A 121.3(5) . . ?
C9A C8A C7A 120.2(5) . . ?
C8A C9A C4A 117.4(5) . . ?
C19A C9A C4A 122.1(4) . . ?
C19A C9A C8A 120.5(4) . . ?
C11A C10A N2A 118.7(4) . . ?
C15A C10A N2A 118.1(4) . . ?
C15A C10A C11A 123.1(4) . . ?
C12A C11A C10A 116.9(4) . . ?
C22A C11A C10A 122.3(4) . . ?
C22A C11A C12A 120.7(4) . . ?
C13A C12A C11A 121.1(5) . . ?
C14A C13A C12A 120.4(5) . . ?
C15A C14A C13A 121.3(5) . . ?
C14A C15A C10A 117.0(4) . . ?
C25A C15A C10A 121.9(4) . . ?
C25A C15A C14A 121.0(4) . . ?
C17A C16A C5A 114.3(4) . . ?
C18A C16A C5A 109.4(4) . . ?
C18A C16A C17A 110.3(5) . . ?
C20A C19A C9A 110.5(4) . . ?
C21A C19A C9A 114.0(4) . . ?
C21A C19A C20A 109.9(4) . . ?
C23A C22A C11A 112.4(4) . . ?
C24A C22A C11A 111.6(4) . . ?
C24A C22A C23A 109.8(4) . . ?
C26A C25A C15A 110.2(4) . . ?
C27A C25A C15A 114.3(4) . . ?
C27A C25A C26A 108.6(4) . . ?
C29A C28A Si2 124.1(4) . . ?
C33A C28A Si2 119.3(4) . . ?
C33A C28A C29A 116.5(5) . . ?
C30A C29A C28A 121.7(5) . . ?
C31A C30A C29A 120.6(5) . . ?
C32A C31A C30A 119.4(5) . . ?
C33A C32A C31A 120.5(5) . . ?
C32A C33A C28A 121.3(5) . . ?
Si1 H1a Ru1 95(2) . . ?
Si2 H2d Ru2 102(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_6e
_database_code_depnum_ccdc_archive 'CCDC 1431456'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2015-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H52 N2 Ru Si'
_chemical_formula_weight         677.98

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.2931(2)
_cell_length_b                   16.9562(3)
_cell_length_c                   20.9730(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.4911(11)
_cell_angle_gamma                90
_cell_volume                     3629.21(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9935
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      28.30

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_F_000             1432
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.493
_shelx_estimated_absorpt_T_min   0.862
_shelx_estimated_absorpt_T_max   0.952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6579
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31236
_diffrn_reflns_av_unetI/netI     0.0201
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.959
_diffrn_reflns_theta_max         28.323
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             8998
_reflns_number_gt                7828
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'APEX II, Bruker (2012)'
_computing_cell_refinement       'APEX II, Bruker (2012)'
_computing_data_reduction        'XPREP, Bruker (2012)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL, Bruker (2015)'
_computing_publication_material  'SHELXTL, Bruker (2015)'
_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)+(0.0326P)²+1.6470P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8998
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0302
_refine_ls_wR_factor_ref         0.0736
_refine_ls_wR_factor_gt          0.0704
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.44004(2) 0.62173(2) 0.21495(2) 0.02703(5) Uani 1 1 d . . . . .
H1C H 0.4556 0.5453 0.1791 0.041 Uiso 1 1 d R U . . .
H1D H 0.4471 0.5959 0.2904 0.041 Uiso 1 1 d R U . . .
Si1 Si 0.59125(5) 0.52535(3) 0.25489(3) 0.03345(11) Uani 1 1 d . . . . .
H1B H 0.5519 0.4385 0.2570 0.050 Uiso 1 1 d R U . . .
N1 N 0.19713(12) 0.55517(8) 0.26956(6) 0.0242(3) Uani 1 1 d . . . . .
N2 N 0.17977(13) 0.54057(8) 0.16736(6) 0.0250(3) Uani 1 1 d . . . . .
C1 C 0.5937(2) 0.71455(14) 0.21510(12) 0.0552(6) Uani 1 1 d . . . . .
H1A H 0.6778 0.7083 0.2392 0.066 Uiso 1 1 calc R U . . .
C2 C 0.4842(2) 0.75154(13) 0.23657(12) 0.0543(6) Uani 1 1 d . . . . .
H2A H 0.4818 0.7747 0.2777 0.065 Uiso 1 1 calc R U . . .
C3 C 0.3800(2) 0.74816(12) 0.18684(11) 0.0461(5) Uani 1 1 d . . . . .
H3A H 0.2946 0.7686 0.1884 0.055 Uiso 1 1 calc R U . . .
C4 C 0.4227(2) 0.70916(12) 0.13364(11) 0.0441(5) Uani 1 1 d . . . . .
H4A H 0.3717 0.6987 0.0934 0.053 Uiso 1 1 calc R U . . .
C5 C 0.5560(2) 0.68865(13) 0.15177(11) 0.0488(5) Uani 1 1 d . . . . .
H5A H 0.6105 0.6620 0.1255 0.059 Uiso 1 1 calc R U . . .
C6 C 0.26328(14) 0.57025(9) 0.21812(7) 0.0222(3) Uani 1 1 d . . . . .
C7 C 0.07794(16) 0.51801(11) 0.25057(8) 0.0305(4) Uani 1 1 d . . . . .
H7A H 0.0158 0.5021 0.2778 0.037 Uiso 1 1 calc R U . . .
C8 C 0.06750(16) 0.50897(11) 0.18702(8) 0.0312(4) Uani 1 1 d . . . . .
H8A H -0.0035 0.4853 0.1603 0.037 Uiso 1 1 calc R U . . .
C9 C 0.23269(15) 0.58016(10) 0.33527(8) 0.0268(3) Uani 1 1 d . . . . .
C10 C 0.19757(17) 0.65662(11) 0.35163(9) 0.0337(4) Uani 1 1 d . . . . .
C11 C 0.2265(2) 0.67809(13) 0.41600(10) 0.0503(5) Uani 1 1 d . . . . .
H11A H 0.2067 0.7300 0.4289 0.060 Uiso 1 1 calc R U . . .
C12 C 0.2834(3) 0.62557(15) 0.46127(11) 0.0594(7) Uani 1 1 d . . . . .
H12A H 0.3016 0.6414 0.5050 0.071 Uiso 1 1 calc R U . . .
C13 C 0.3141(2) 0.55016(13) 0.44387(9) 0.0462(5) Uani 1 1 d . . . . .
H13A H 0.3520 0.5143 0.4758 0.055 Uiso 1 1 calc R U . . .
C14 C 0.29035(17) 0.52583(11) 0.38015(8) 0.0312(4) Uani 1 1 d . . . . .
C15 C 0.12624(19) 0.71228(11) 0.30253(9) 0.0386(4) Uani 1 1 d . . . . .
H15A H 0.1489 0.6965 0.2594 0.046 Uiso 1 1 calc R U . . .
C16 C -0.0221(2) 0.70399(16) 0.30051(15) 0.0646(7) Uani 1 1 d . . . . .
H16A H -0.0662 0.7405 0.2685 0.097 Uiso 1 1 calc R U . . .
H16B H -0.0482 0.6498 0.2888 0.097 Uiso 1 1 calc R U . . .
H16C H -0.0470 0.7164 0.3429 0.097 Uiso 1 1 calc R U . . .
C17 C 0.1653(3) 0.79828(13) 0.31316(13) 0.0589(6) Uani 1 1 d . . . . .
H17A H 0.1158 0.8309 0.2799 0.088 Uiso 1 1 calc R U . . .
H17B H 0.1461 0.8152 0.3556 0.088 Uiso 1 1 calc R U . . .
H17C H 0.2593 0.8041 0.3108 0.088 Uiso 1 1 calc R U . . .
C18 C 0.32458(18) 0.44271(10) 0.36150(9) 0.0335(4) Uani 1 1 d . . . . .
H18A H 0.3369 0.4434 0.3150 0.040 Uiso 1 1 calc R U . . .
C19 C 0.2142(2) 0.38482(13) 0.36939(12) 0.0515(5) Uani 1 1 d . . . . .
H19A H 0.2395 0.3318 0.3570 0.077 Uiso 1 1 calc R U . . .
H19B H 0.1978 0.3843 0.4144 0.077 Uiso 1 1 calc R U . . .
H19C H 0.1344 0.4011 0.3419 0.077 Uiso 1 1 calc R U . . .
C20 C 0.4527(2) 0.41352(12) 0.39971(10) 0.0434(5) Uani 1 1 d . . . . .
H20A H 0.4710 0.3598 0.3862 0.065 Uiso 1 1 calc R U . . .
H20B H 0.5247 0.4484 0.3917 0.065 Uiso 1 1 calc R U . . .
H20C H 0.4443 0.4137 0.4457 0.065 Uiso 1 1 calc R U . . .
C21 C 0.19250(15) 0.54837(10) 0.10000(7) 0.0261(3) Uani 1 1 d . . . . .
C22 C 0.13008(16) 0.61259(10) 0.06681(8) 0.0294(3) Uani 1 1 d . . . . .
C23 C 0.1363(2) 0.61650(12) 0.00082(9) 0.0380(4) Uani 1 1 d . . . . .
H23A H 0.0938 0.6585 -0.0236 0.046 Uiso 1 1 calc R U . . .
C24 C 0.2030(2) 0.56050(13) -0.02948(9) 0.0434(5) Uani 1 1 d . . . . .
H24A H 0.2070 0.5647 -0.0744 0.052 Uiso 1 1 calc R U . . .
C25 C 0.2643(2) 0.49832(12) 0.00461(9) 0.0392(4) Uani 1 1 d . . . . .
H25A H 0.3106 0.4605 -0.0171 0.047 Uiso 1 1 calc R U . . .
C26 C 0.25939(17) 0.49003(10) 0.07034(8) 0.0298(3) Uani 1 1 d . . . . .
C27 C 0.05812(17) 0.67538(11) 0.10002(9) 0.0342(4) Uani 1 1 d . . . . .
H27A H 0.0931 0.6744 0.1468 0.041 Uiso 1 1 calc R U . . .
C28 C 0.0776(2) 0.75864(12) 0.07509(12) 0.0491(5) Uani 1 1 d . . . . .
H28A H 0.0289 0.7963 0.0983 0.074 Uiso 1 1 calc R U . . .
H28B H 0.1710 0.7720 0.0819 0.074 Uiso 1 1 calc R U . . .
H28C H 0.0453 0.7611 0.0291 0.074 Uiso 1 1 calc R U . . .
C29 C -0.0891(2) 0.65788(14) 0.09396(12) 0.0503(5) Uani 1 1 d . . . . .
H29A H -0.1330 0.6993 0.1158 0.075 Uiso 1 1 calc R U . . .
H29B H -0.1255 0.6564 0.0484 0.075 Uiso 1 1 calc R U . . .
H29C H -0.1030 0.6068 0.1138 0.075 Uiso 1 1 calc R U . . .
C30 C 0.32045(19) 0.41929(11) 0.10741(9) 0.0361(4) Uani 1 1 d . . . . .
H30A H 0.3477 0.4368 0.1527 0.043 Uiso 1 1 calc R U . . .
C31 C 0.4424(3) 0.38890(16) 0.08151(13) 0.0629(7) Uani 1 1 d . . . . .
H31A H 0.4775 0.3435 0.1071 0.094 Uiso 1 1 calc R U . . .
H31B H 0.4197 0.3729 0.0365 0.094 Uiso 1 1 calc R U . . .
H31C H 0.5085 0.4308 0.0842 0.094 Uiso 1 1 calc R U . . .
C32 C 0.2212(3) 0.35300(13) 0.10950(13) 0.0570(6) Uani 1 1 d . . . . .
H32A H 0.2632 0.3083 0.1336 0.086 Uiso 1 1 calc R U . . .
H32B H 0.1476 0.3718 0.1307 0.086 Uiso 1 1 calc R U . . .
H32C H 0.1890 0.3362 0.0656 0.086 Uiso 1 1 calc R U . . .
C33 C 0.69787(18) 0.54697(12) 0.33448(9) 0.0377(4) Uani 1 1 d . . . . .
C34 C 0.6809(2) 0.61134(13) 0.37325(10) 0.0466(5) Uani 1 1 d . . . . .
H34A H 0.6087 0.6456 0.3616 0.056 Uiso 1 1 calc R U . . .
C35 C 0.7665(3) 0.62740(16) 0.42880(12) 0.0614(7) Uani 1 1 d . . . . .
H35A H 0.7519 0.6718 0.4546 0.074 Uiso 1 1 calc R U . . .
C36 C 0.8718(3) 0.5790(2) 0.44622(12) 0.0698(8) Uani 1 1 d . . . . .
H36A H 0.9316 0.5905 0.4835 0.084 Uiso 1 1 calc R U . . .
C37 C 0.8904(3) 0.5139(2) 0.40964(13) 0.0733(9) Uani 1 1 d . . . . .
H37A H 0.9627 0.4798 0.4219 0.088 Uiso 1 1 calc R U . . .
C38 C 0.8039(2) 0.49771(16) 0.35482(11) 0.0557(6) Uani 1 1 d . . . . .
H38A H 0.8171 0.4519 0.3304 0.067 Uiso 1 1 calc R U . . .
C39 C 0.7203(2) 0.51010(16) 0.19861(11) 0.0530(6) Uani 1 1 d . . . . .
H39A H 0.6771 0.4983 0.1552 0.079 Uiso 1 1 calc R U . . .
H39B H 0.7729 0.5581 0.1975 0.079 Uiso 1 1 calc R U . . .
H39C H 0.7774 0.4660 0.2142 0.079 Uiso 1 1 calc R U . . .


_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 C6 2.0268(15) . ?
Ru1 C5 2.2092(19) . ?
Ru1 C1 2.2311(19) . ?
Ru1 C4 2.249(2) . ?
Ru1 C2 2.281(2) . ?
Ru1 C3 2.287(2) . ?
Ru1 Si1 2.3355(5) . ?
Si1 C39 1.906(2) . ?
Si1 C33 1.910(2) . ?
N1 C6 1.3729(19) . ?
N1 C7 1.390(2) . ?
N1 C9 1.443(2) . ?
N2 C6 1.374(2) . ?
N2 C8 1.384(2) . ?
N2 C21 1.442(2) . ?
C1 C5 1.405(3) . ?
C1 C2 1.414(4) . ?
C2 C3 1.396(3) . ?
C3 C4 1.415(3) . ?
C4 C5 1.418(3) . ?
C7 C8 1.332(2) . ?
C9 C14 1.393(2) . ?
C9 C10 1.401(2) . ?
C10 C11 1.392(3) . ?
C10 C15 1.514(3) . ?
C11 C12 1.375(3) . ?
C12 C13 1.378(3) . ?
C13 C14 1.389(3) . ?
C14 C18 1.516(2) . ?
C15 C17 1.521(3) . ?
C15 C16 1.528(3) . ?
C18 C19 1.527(3) . ?
C18 C20 1.533(3) . ?
C21 C26 1.397(2) . ?
C21 C22 1.402(2) . ?
C22 C23 1.395(2) . ?
C22 C27 1.517(2) . ?
C23 C24 1.375(3) . ?
C24 C25 1.380(3) . ?
C25 C26 1.393(2) . ?
C26 C30 1.520(3) . ?
C27 C28 1.528(3) . ?
C27 C29 1.533(3) . ?
C30 C31 1.521(3) . ?
C30 C32 1.523(3) . ?
C33 C34 1.385(3) . ?
C33 C38 1.396(3) . ?
C34 C35 1.393(3) . ?
C35 C36 1.371(4) . ?
C36 C37 1.372(4) . ?
C37 C38 1.387(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 Ru1 C5 142.97(7) . . ?
C6 Ru1 C1 160.57(8) . . ?
C5 Ru1 C1 36.89(9) . . ?
C6 Ru1 C4 109.01(7) . . ?
C5 Ru1 C4 37.09(8) . . ?
C1 Ru1 C4 61.46(8) . . ?
C6 Ru1 C2 124.43(8) . . ?
C5 Ru1 C2 60.95(9) . . ?
C1 Ru1 C2 36.51(9) . . ?
C4 Ru1 C2 60.57(9) . . ?
C6 Ru1 C3 101.45(7) . . ?
C5 Ru1 C3 60.85(8) . . ?
C1 Ru1 C3 60.46(8) . . ?
C4 Ru1 C3 36.35(8) . . ?
C2 Ru1 C3 35.59(9) . . ?
C6 Ru1 Si1 104.24(4) . . ?
C5 Ru1 Si1 100.82(6) . . ?
C1 Ru1 Si1 93.09(7) . . ?
C4 Ru1 Si1 135.76(6) . . ?
C2 Ru1 Si1 119.86(7) . . ?
C3 Ru1 Si1 153.31(5) . . ?
C39 Si1 C33 101.52(9) . . ?
C39 Si1 Ru1 111.01(8) . . ?
C33 Si1 Ru1 117.34(7) . . ?
C6 N1 C7 111.63(13) . . ?
C6 N1 C9 127.30(13) . . ?
C7 N1 C9 120.75(13) . . ?
C6 N2 C8 111.92(13) . . ?
C6 N2 C21 126.74(13) . . ?
C8 N2 C21 120.88(13) . . ?
C5 C1 C2 107.8(2) . . ?
C5 C1 Ru1 70.71(11) . . ?
C2 C1 Ru1 73.66(12) . . ?
C3 C2 C1 108.1(2) . . ?
C3 C2 Ru1 72.44(12) . . ?
C1 C2 Ru1 69.82(12) . . ?
C2 C3 C4 108.7(2) . . ?
C2 C3 Ru1 71.97(13) . . ?
C4 C3 Ru1 70.37(12) . . ?
C3 C4 C5 107.0(2) . . ?
C3 C4 Ru1 73.28(12) . . ?
C5 C4 Ru1 69.93(11) . . ?
C1 C5 C4 108.4(2) . . ?
C1 C5 Ru1 72.41(12) . . ?
C4 C5 Ru1 72.99(11) . . ?
N1 C6 N2 102.51(12) . . ?
N1 C6 Ru1 130.18(11) . . ?
N2 C6 Ru1 127.31(11) . . ?
C8 C7 N1 106.98(14) . . ?
C7 C8 N2 106.97(14) . . ?
C14 C9 C10 123.19(15) . . ?
C14 C9 N1 118.93(15) . . ?
C10 C9 N1 117.67(15) . . ?
C11 C10 C9 116.74(17) . . ?
C11 C10 C15 121.32(17) . . ?
C9 C10 C15 121.88(16) . . ?
C12 C11 C10 121.20(19) . . ?
C11 C12 C13 120.64(19) . . ?
C12 C13 C14 120.84(19) . . ?
C13 C14 C9 117.35(16) . . ?
C13 C14 C18 120.42(17) . . ?
C9 C14 C18 122.22(15) . . ?
C10 C15 C17 113.71(18) . . ?
C10 C15 C16 110.83(17) . . ?
C17 C15 C16 109.67(18) . . ?
C14 C18 C19 111.62(16) . . ?
C14 C18 C20 112.23(16) . . ?
C19 C18 C20 109.72(16) . . ?
C26 C21 C22 123.33(15) . . ?
C26 C21 N2 118.97(15) . . ?
C22 C21 N2 117.60(14) . . ?
C23 C22 C21 116.86(16) . . ?
C23 C22 C27 120.69(16) . . ?
C21 C22 C27 122.45(15) . . ?
C24 C23 C22 121.06(18) . . ?
C23 C24 C25 120.68(17) . . ?
C24 C25 C26 121.12(18) . . ?
C25 C26 C21 116.92(16) . . ?
C25 C26 C30 121.31(16) . . ?
C21 C26 C30 121.74(15) . . ?
C22 C27 C28 113.44(15) . . ?
C22 C27 C29 111.26(16) . . ?
C28 C27 C29 108.83(17) . . ?
C26 C30 C31 112.96(17) . . ?
C26 C30 C32 111.28(17) . . ?
C31 C30 C32 110.37(19) . . ?
C34 C33 C38 116.4(2) . . ?
C34 C33 Si1 124.21(15) . . ?
C38 C33 Si1 119.30(17) . . ?
C33 C34 C35 122.1(2) . . ?
C36 C35 C34 119.8(3) . . ?
C35 C36 C37 119.7(2) . . ?
C36 C37 C38 120.1(2) . . ?
C37 C38 C33 121.8(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
C5 C1 C2 C3 0.2(2) . . . . ?
Ru1 C1 C2 C3 -62.72(15) . . . . ?
C5 C1 C2 Ru1 62.88(14) . . . . ?
C1 C2 C3 C4 0.0(2) . . . . ?
Ru1 C2 C3 C4 -61.10(14) . . . . ?
C1 C2 C3 Ru1 61.05(15) . . . . ?
C2 C3 C4 C5 -0.1(2) . . . . ?
Ru1 C3 C4 C5 -62.19(13) . . . . ?
C2 C3 C4 Ru1 62.11(15) . . . . ?
C2 C1 C5 C4 -0.2(2) . . . . ?
Ru1 C1 C5 C4 64.61(14) . . . . ?
C2 C1 C5 Ru1 -64.82(15) . . . . ?
C3 C4 C5 C1 0.2(2) . . . . ?
Ru1 C4 C5 C1 -64.23(14) . . . . ?
C3 C4 C5 Ru1 64.41(14) . . . . ?
C7 N1 C6 N2 -0.19(17) . . . . ?
C9 N1 C6 N2 -173.74(14) . . . . ?
C7 N1 C6 Ru1 -179.53(12) . . . . ?
C9 N1 C6 Ru1 6.9(2) . . . . ?
C8 N2 C6 N1 0.14(17) . . . . ?
C21 N2 C6 N1 172.36(15) . . . . ?
C8 N2 C6 Ru1 179.52(12) . . . . ?
C21 N2 C6 Ru1 -8.3(2) . . . . ?
C6 N1 C7 C8 0.2(2) . . . . ?
C9 N1 C7 C8 174.20(15) . . . . ?
N1 C7 C8 N2 -0.1(2) . . . . ?
C6 N2 C8 C7 -0.1(2) . . . . ?
C21 N2 C8 C7 -172.79(15) . . . . ?
C6 N1 C9 C14 -102.41(19) . . . . ?
C7 N1 C9 C14 84.56(19) . . . . ?
C6 N1 C9 C10 82.6(2) . . . . ?
C7 N1 C9 C10 -90.45(19) . . . . ?
C14 C9 C10 C11 1.9(3) . . . . ?
N1 C9 C10 C11 176.65(17) . . . . ?
C14 C9 C10 C15 -175.52(17) . . . . ?
N1 C9 C10 C15 -0.7(2) . . . . ?
C9 C10 C11 C12 -1.8(3) . . . . ?
C15 C10 C11 C12 175.6(2) . . . . ?
C10 C11 C12 C13 0.5(4) . . . . ?
C11 C12 C13 C14 1.0(4) . . . . ?
C12 C13 C14 C9 -1.0(3) . . . . ?
C12 C13 C14 C18 180.0(2) . . . . ?
C10 C9 C14 C13 -0.5(3) . . . . ?
N1 C9 C14 C13 -175.18(16) . . . . ?
C10 C9 C14 C18 178.52(16) . . . . ?
N1 C9 C14 C18 3.8(2) . . . . ?
C11 C10 C15 C17 37.5(3) . . . . ?
C9 C10 C15 C17 -145.26(19) . . . . ?
C11 C10 C15 C16 -86.6(3) . . . . ?
C9 C10 C15 C16 90.6(2) . . . . ?
C13 C14 C18 C19 85.7(2) . . . . ?
C9 C14 C18 C19 -93.2(2) . . . . ?
C13 C14 C18 C20 -37.9(2) . . . . ?
C9 C14 C18 C20 143.13(17) . . . . ?
C6 N2 C21 C26 91.6(2) . . . . ?
C8 N2 C21 C26 -96.80(19) . . . . ?
C6 N2 C21 C22 -91.86(19) . . . . ?
C8 N2 C21 C22 79.7(2) . . . . ?
C26 C21 C22 C23 0.3(2) . . . . ?
N2 C21 C22 C23 -176.01(15) . . . . ?
C26 C21 C22 C27 -179.91(16) . . . . ?
N2 C21 C22 C27 3.7(2) . . . . ?
C21 C22 C23 C24 -1.3(3) . . . . ?
C27 C22 C23 C24 178.99(18) . . . . ?
C22 C23 C24 C25 0.8(3) . . . . ?
C23 C24 C25 C26 0.6(3) . . . . ?
C24 C25 C26 C21 -1.5(3) . . . . ?
C24 C25 C26 C30 176.66(18) . . . . ?
C22 C21 C26 C25 1.0(2) . . . . ?
N2 C21 C26 C25 177.30(15) . . . . ?
C22 C21 C26 C30 -177.12(16) . . . . ?
N2 C21 C26 C30 -0.8(2) . . . . ?
C23 C22 C27 C28 -39.2(2) . . . . ?
C21 C22 C27 C28 141.04(18) . . . . ?
C23 C22 C27 C29 83.9(2) . . . . ?
C21 C22 C27 C29 -95.9(2) . . . . ?
C25 C26 C30 C31 33.0(3) . . . . ?
C21 C26 C30 C31 -149.01(19) . . . . ?
C25 C26 C30 C32 -91.8(2) . . . . ?
C21 C26 C30 C32 86.2(2) . . . . ?
C38 C33 C34 C35 1.4(3) . . . . ?
Si1 C33 C34 C35 -175.73(18) . . . . ?
C33 C34 C35 C36 0.5(4) . . . . ?
C34 C35 C36 C37 -1.6(4) . . . . ?
C35 C36 C37 C38 0.8(4) . . . . ?
C36 C37 C38 C33 1.2(4) . . . . ?
C34 C33 C38 C37 -2.2(3) . . . . ?
Si1 C33 C38 C37 175.06(19) . . . . ?

_refine_diff_density_max         0.532
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.052

####################################################################### 
# 
# 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_6f
_database_code_depnum_ccdc_archive 'CCDC 1431457'
_audit_update_record             
;
2015-11-11 deposited with the CCDC.
2015-11-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H54 N2 Ru Si'
_chemical_formula_weight         692.01

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4447(12)
_cell_length_b                   12.3858(14)
_cell_length_c                   15.3320(18)
_cell_angle_alpha                95.821(6)
_cell_angle_beta                 99.541(6)
_cell_angle_gamma                104.375(6)
_cell_volume                     1873.5(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    6394
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      28.36

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.227
_exptl_crystal_F_000             732
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.479
_shelx_estimated_absorpt_T_min   0.923
_shelx_estimated_absorpt_T_max   0.954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.367793
_exptl_absorpt_correction_T_max  0.745690
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29773
_diffrn_reflns_av_unetI/netI     0.0953
_diffrn_reflns_av_R_equivalents  0.1288
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.716
_diffrn_reflns_theta_max         28.794
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.918
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             14907
_reflns_number_gt                6819
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 _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       'APEX II, Bruker (2012)'
_computing_cell_refinement       'APEX II, Bruker (2012)'
_computing_data_reduction        'XPREP, Bruker (2012)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL, Bruker (2015)'
_computing_publication_material  'SHELXTL, Bruker (2015)'
_refine_special_details          
; 
 Refined as a 2-component twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0889P)²+39.4305P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8931
_refine_ls_number_parameters     398
_refine_ls_number_restraints     453
_refine_ls_R_factor_all          0.1858
_refine_ls_R_factor_gt           0.1499
_refine_ls_wR_factor_ref         0.3605
_refine_ls_wR_factor_gt          0.3379
_refine_ls_goodness_of_fit_ref   1.216
_refine_ls_restrained_S_all      1.192
_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 0.58902(8) 0.68286(9) 0.73305(6) 0.0276(3) Uani 1 1 d . . . . .
H1C H 0.6310 0.8061 0.7338 0.041 Uiso 1 1 d R U . . .
H1D H 0.5907 0.6586 0.8335 0.041 Uiso 1 1 d R U . . .
Si1 Si 0.5034(3) 0.8009(3) 0.82433(18) 0.0247(6) Uani 1 1 d . . . . .
N1 N 0.8553(7) 0.6403(7) 0.8209(5) 0.0194(16) Uani 1 1 d . . . . .
N2 N 0.8950(8) 0.7962(8) 0.7674(6) 0.0261(19) Uani 1 1 d . . . . .
C1 C 0.3960(15) 0.5548(15) 0.6766(11) 0.066(3) Uani 1 1 d . U . . .
H1A H 0.3264 0.5225 0.7114 0.079 Uiso 1 1 calc R U . . .
C2 C 0.4962(14) 0.5064(15) 0.6561(11) 0.062(3) Uani 1 1 d . U . . .
H2A H 0.5126 0.4354 0.6752 0.075 Uiso 1 1 calc R U . . .
C3 C 0.5650(13) 0.5710(14) 0.5998(10) 0.058(3) Uani 1 1 d . U . . .
H3A H 0.6399 0.5547 0.5723 0.069 Uiso 1 1 calc R U . . .
C4 C 0.5028(15) 0.6599(15) 0.5836(10) 0.063(3) Uani 1 1 d . U . . .
H4A H 0.5250 0.7162 0.5423 0.076 Uiso 1 1 calc R U . . .
C5 C 0.3994(14) 0.6490(15) 0.6331(10) 0.063(3) Uani 1 1 d . U . . .
H5A H 0.3326 0.6947 0.6313 0.076 Uiso 1 1 calc R U . . .
C6 C 0.4567(11) 0.9231(10) 0.7706(8) 0.033(2) Uani 1 1 d . U . . .
C7 C 0.4885(16) 0.9507(14) 0.6892(10) 0.054(3) Uani 1 1 d . U . . .
H7A H 0.5385 0.9093 0.6599 0.064 Uiso 1 1 calc R U . . .
C8 C 0.449(2) 1.0375(16) 0.6490(12) 0.071(4) Uani 1 1 d . U . . .
H8A H 0.4721 1.0539 0.5935 0.085 Uiso 1 1 calc R U . . .
C9 C 0.3780(19) 1.0975(16) 0.6900(13) 0.071(4) Uani 1 1 d . U . . .
H9A H 0.3494 1.1554 0.6627 0.085 Uiso 1 1 calc R U . . .
C10 C 0.3476(19) 1.0746(14) 0.7709(12) 0.068(4) Uani 1 1 d . U . . .
H10A H 0.3008 1.1188 0.8005 0.081 Uiso 1 1 calc R U . . .
C11 C 0.3845(13) 0.9870(12) 0.8106(10) 0.049(3) Uani 1 1 d . U . . .
H11A H 0.3597 0.9712 0.8658 0.058 Uiso 1 1 calc R U . . .
C12 C 0.5991(12) 0.8651(12) 0.9407(8) 0.042(3) Uani 1 1 d . . . . .
H12A H 0.6895 0.9101 0.9379 0.064 Uiso 1 1 calc R U . . .
H12B H 0.5510 0.9136 0.9683 0.064 Uiso 1 1 calc R U . . .
H12C H 0.6067 0.8050 0.9766 0.064 Uiso 1 1 calc R U . . .
C13 C 0.3347(11) 0.7192(12) 0.8454(9) 0.040(3) Uani 1 1 d . . . . .
H13A H 0.2756 0.6816 0.7883 0.060 Uiso 1 1 calc R U . . .
H13B H 0.3485 0.6626 0.8836 0.060 Uiso 1 1 calc R U . . .
H13C H 0.2929 0.7711 0.8752 0.060 Uiso 1 1 calc R U . . .
C14 C 0.7927(9) 0.7073(9) 0.7760(6) 0.021(2) Uani 1 1 d . . . . .
C15 C 0.9946(9) 0.6872(10) 0.8423(7) 0.027(2) Uani 1 1 d . U . . .
H15A H 1.0590 0.6562 0.8746 0.033 Uiso 1 1 calc R U . . .
C16 C 1.0202(10) 0.7828(10) 0.8094(7) 0.029(2) Uani 1 1 d . U . . .
H16A H 1.1066 0.8332 0.8131 0.035 Uiso 1 1 calc R U . . .
C17 C 0.7949(9) 0.5303(9) 0.8371(7) 0.0228(18) Uani 1 1 d . U . . .
C18 C 0.7788(11) 0.4348(10) 0.7714(7) 0.032(2) Uani 1 1 d . U . . .
C19 C 0.7147(13) 0.3317(11) 0.7882(9) 0.044(3) Uani 1 1 d . U . . .
H19A H 0.7023 0.2680 0.7445 0.052 Uiso 1 1 calc R U . . .
C20 C 0.6663(14) 0.3149(12) 0.8662(10) 0.049(3) Uani 1 1 d . U . . .
H20A H 0.6192 0.2420 0.8750 0.059 Uiso 1 1 calc R U . . .
C21 C 0.6892(13) 0.4086(10) 0.9314(9) 0.041(3) Uani 1 1 d . U . . .
H21A H 0.6590 0.3981 0.9858 0.049 Uiso 1 1 calc R U . . .
C22 C 0.7535(11) 0.5149(9) 0.9193(7) 0.0282(19) Uani 1 1 d . U . . .
C23 C 0.8382(13) 0.4522(12) 0.6877(8) 0.041(3) Uani 1 1 d . U . . .
H23A H 0.8380 0.5295 0.6743 0.049 Uiso 1 1 calc R U . . .
C24 C 0.7562(17) 0.3667(15) 0.6051(10) 0.067(5) Uani 1 1 d . U . . .
H24A H 0.6624 0.3706 0.5946 0.101 Uiso 1 1 calc R U . . .
H24B H 0.7950 0.3846 0.5526 0.101 Uiso 1 1 calc R U . . .
H24C H 0.7591 0.2905 0.6156 0.101 Uiso 1 1 calc R U . . .
C25 C 0.9832(15) 0.4447(15) 0.7027(10) 0.056(4) Uani 1 1 d . U . . .
H25A H 1.0187 0.4562 0.6480 0.084 Uiso 1 1 calc R U . . .
H25B H 1.0382 0.5029 0.7519 0.084 Uiso 1 1 calc R U . . .
H25C H 0.9861 0.3702 0.7177 0.084 Uiso 1 1 calc R U . . .
C26 C 0.7853(12) 0.6129(10) 0.9939(7) 0.031(2) Uani 1 1 d . U . . .
H26A H 0.8102 0.6845 0.9682 0.038 Uiso 1 1 calc R U . . .
C27 C 0.6664(14) 0.6150(13) 1.0403(9) 0.049(3) Uani 1 1 d . U . . .
H27A H 0.6927 0.6800 1.0879 0.073 Uiso 1 1 calc R U . . .
H27B H 0.5895 0.6209 0.9965 0.073 Uiso 1 1 calc R U . . .
H27C H 0.6408 0.5455 1.0662 0.073 Uiso 1 1 calc R U . . .
C28 C 0.9057(15) 0.6075(13) 1.0626(9) 0.051(3) Uani 1 1 d . U . . .
H28A H 0.9268 0.6708 1.1113 0.076 Uiso 1 1 calc R U . . .
H28B H 0.8841 0.5363 1.0869 0.076 Uiso 1 1 calc R U . . .
H28C H 0.9837 0.6118 1.0340 0.076 Uiso 1 1 calc R U . . .
C29 C 0.8883(11) 0.8861(10) 0.7159(8) 0.034(2) Uani 1 1 d . U . . .
C30 C 0.8859(14) 0.8654(13) 0.6239(9) 0.045(3) Uani 1 1 d . U . . .
C31 C 0.8739(18) 0.9492(15) 0.5748(11) 0.061(4) Uani 1 1 d . U . . .
H31A H 0.8690 0.9359 0.5120 0.074 Uiso 1 1 calc R U . . .
C32 C 0.869(2) 1.0506(16) 0.6129(12) 0.071(4) Uani 1 1 d . U . . .
H32A H 0.8575 1.1067 0.5767 0.086 Uiso 1 1 calc R U . . .
C33 C 0.8797(18) 1.0735(15) 0.7045(12) 0.062(4) Uani 1 1 d . U . . .
H33A H 0.8813 1.1467 0.7309 0.075 Uiso 1 1 calc R U . . .
C34 C 0.8883(12) 0.9913(11) 0.7582(9) 0.039(2) Uani 1 1 d . U . . .
C35 C 0.8991(18) 0.7518(15) 0.5806(9) 0.058(3) Uani 1 1 d . U . . .
H35A H 0.8593 0.6925 0.6155 0.070 Uiso 1 1 calc R U . . .
C36 C 0.824(2) 0.7173(19) 0.4834(11) 0.081(5) Uani 1 1 d . U . . .
H36A H 0.7290 0.7152 0.4800 0.122 Uiso 1 1 calc R U . . .
H36B H 0.8642 0.7722 0.4470 0.122 Uiso 1 1 calc R U . . .
H36C H 0.8311 0.6425 0.4609 0.122 Uiso 1 1 calc R U . . .
C37 C 1.048(2) 0.7553(19) 0.5866(11) 0.080(5) Uani 1 1 d . U . . .
H37A H 1.0957 0.7775 0.6491 0.120 Uiso 1 1 calc R U . . .
H37B H 1.0555 0.6806 0.5642 0.120 Uiso 1 1 calc R U . . .
H37C H 1.0886 0.8102 0.5504 0.120 Uiso 1 1 calc R U . . .
C38 C 0.9034(12) 1.0155(11) 0.8582(9) 0.039(2) Uani 1 1 d . U . . .
H38A H 0.8707 0.9426 0.8808 0.047 Uiso 1 1 calc R U . . .
C39 C 0.8214(14) 1.0950(12) 0.8859(11) 0.050(3) Uani 1 1 d . U . . .
H39A H 0.8343 1.1083 0.9512 0.075 Uiso 1 1 calc R U . . .
H39B H 0.8518 1.1668 0.8640 0.075 Uiso 1 1 calc R U . . .
H39C H 0.7256 1.0609 0.8601 0.075 Uiso 1 1 calc R U . . .
C40 C 1.0515(14) 1.0662(12) 0.9014(12) 0.057(4) Uani 1 1 d . U . . .
H40A H 1.0606 1.0817 0.9664 0.085 Uiso 1 1 calc R U . . .
H40B H 1.1030 1.0129 0.8870 0.085 Uiso 1 1 calc R U . . .
H40C H 1.0861 1.1365 0.8786 0.085 Uiso 1 1 calc R U . . .


_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 C14 2.056(9) . ?
Ru1 C1 2.210(15) . ?
Ru1 C5 2.213(12) . ?
Ru1 C2 2.270(15) . ?
Ru1 C4 2.279(15) . ?
Ru1 C3 2.289(13) . ?
Ru1 Si1 2.355(3) . ?
Si1 C12 1.882(12) . ?
Si1 C13 1.898(12) . ?
Si1 C6 1.921(12) . ?
N1 C14 1.351(12) . ?
N1 C15 1.395(12) . ?
N1 C17 1.417(13) . ?
N2 C14 1.365(13) . ?
N2 C16 1.416(12) . ?
N2 C29 1.438(14) . ?
C1 C2 1.39(2) . ?
C1 C5 1.40(3) . ?
C2 C3 1.40(3) . ?
C3 C4 1.43(2) . ?
C4 C5 1.41(2) . ?
C6 C11 1.387(16) . ?
C6 C7 1.398(19) . ?
C7 C8 1.41(2) . ?
C8 C9 1.35(2) . ?
C9 C10 1.37(3) . ?
C10 C11 1.40(2) . ?
C15 C16 1.318(16) . ?
C17 C22 1.413(15) . ?
C17 C18 1.430(14) . ?
C18 C19 1.358(18) . ?
C18 C23 1.527(18) . ?
C19 C20 1.39(2) . ?
C20 C21 1.395(18) . ?
C21 C22 1.368(17) . ?
C22 C26 1.512(15) . ?
C23 C25 1.521(18) . ?
C23 C24 1.542(18) . ?
C26 C28 1.521(17) . ?
C26 C27 1.534(17) . ?
C29 C34 1.396(17) . ?
C29 C30 1.403(17) . ?
C30 C31 1.36(2) . ?
C30 C35 1.54(2) . ?
C31 C32 1.35(2) . ?
C32 C33 1.38(2) . ?
C33 C34 1.384(19) . ?
C34 C38 1.507(19) . ?
C35 C36 1.53(2) . ?
C35 C37 1.53(2) . ?
C38 C40 1.523(18) . ?
C38 C39 1.529(17) . ?

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
C14 Ru1 C1 144.3(5) . . ?
C14 Ru1 C5 155.7(5) . . ?
C1 Ru1 C5 36.8(7) . . ?
C14 Ru1 C2 109.6(5) . . ?
C1 Ru1 C2 36.1(5) . . ?
C5 Ru1 C2 60.9(6) . . ?
C14 Ru1 C4 119.4(5) . . ?
C1 Ru1 C4 60.7(7) . . ?
C5 Ru1 C4 36.5(6) . . ?
C2 Ru1 C4 60.4(7) . . ?
C14 Ru1 C3 97.9(4) . . ?
C1 Ru1 C3 60.2(6) . . ?
C5 Ru1 C3 60.9(5) . . ?
C2 Ru1 C3 35.8(6) . . ?
C4 Ru1 C3 36.6(5) . . ?
C14 Ru1 Si1 111.6(3) . . ?
C1 Ru1 Si1 97.2(4) . . ?
C5 Ru1 Si1 88.2(4) . . ?
C2 Ru1 Si1 132.0(4) . . ?
C4 Ru1 Si1 115.4(4) . . ?
C3 Ru1 Si1 149.0(3) . . ?
C12 Si1 C13 102.4(6) . . ?
C12 Si1 C6 105.4(6) . . ?
C13 Si1 C6 101.9(5) . . ?
C12 Si1 Ru1 120.3(4) . . ?
C13 Si1 Ru1 109.8(4) . . ?
C6 Si1 Ru1 114.9(4) . . ?
C14 N1 C15 111.3(9) . . ?
C14 N1 C17 126.6(8) . . ?
C15 N1 C17 121.8(8) . . ?
C14 N2 C16 109.8(9) . . ?
C14 N2 C29 128.5(9) . . ?
C16 N2 C29 121.3(9) . . ?
C2 C1 C5 109.1(18) . . ?
C2 C1 Ru1 74.3(9) . . ?
C5 C1 Ru1 71.7(9) . . ?
C1 C2 C3 108.0(17) . . ?
C1 C2 Ru1 69.6(9) . . ?
C3 C2 Ru1 72.8(9) . . ?
C2 C3 C4 107.8(14) . . ?
C2 C3 Ru1 71.4(8) . . ?
C4 C3 Ru1 71.4(8) . . ?
C5 C4 C3 107.0(17) . . ?
C5 C4 Ru1 69.2(8) . . ?
C3 C4 Ru1 72.1(8) . . ?
C1 C5 C4 108.1(14) . . ?
C1 C5 Ru1 71.5(8) . . ?
C4 C5 Ru1 74.3(8) . . ?
C11 C6 C7 116.2(12) . . ?
C11 C6 Si1 120.7(11) . . ?
C7 C6 Si1 123.1(9) . . ?
C6 C7 C8 122.4(14) . . ?
C9 C8 C7 119.6(17) . . ?
C8 C9 C10 119.7(16) . . ?
C9 C10 C11 121.1(15) . . ?
C6 C11 C10 121.0(15) . . ?
N1 C14 N2 104.5(8) . . ?
N1 C14 Ru1 127.8(7) . . ?
N2 C14 Ru1 127.7(7) . . ?
C16 C15 N1 107.2(8) . . ?
C15 C16 N2 107.1(9) . . ?
C22 C17 N1 119.9(9) . . ?
C22 C17 C18 120.0(10) . . ?
N1 C17 C18 120.1(10) . . ?
C19 C18 C17 117.9(12) . . ?
C19 C18 C23 123.0(11) . . ?
C17 C18 C23 119.1(11) . . ?
C18 C19 C20 123.2(12) . . ?
C19 C20 C21 117.9(14) . . ?
C22 C21 C20 122.1(13) . . ?
C21 C22 C17 118.7(11) . . ?
C21 C22 C26 120.5(11) . . ?
C17 C22 C26 120.8(10) . . ?
C25 C23 C18 111.2(10) . . ?
C25 C23 C24 108.6(11) . . ?
C18 C23 C24 112.8(13) . . ?
C22 C26 C28 109.0(9) . . ?
C22 C26 C27 113.1(10) . . ?
C28 C26 C27 109.4(11) . . ?
C34 C29 C30 121.9(12) . . ?
C34 C29 N2 119.8(11) . . ?
C30 C29 N2 118.2(11) . . ?
C31 C30 C29 117.9(14) . . ?
C31 C30 C35 121.4(13) . . ?
C29 C30 C35 120.7(12) . . ?
C32 C31 C30 121.7(15) . . ?
C31 C32 C33 120.4(16) . . ?
C34 C33 C32 121.0(16) . . ?
C33 C34 C29 116.9(13) . . ?
C33 C34 C38 121.7(13) . . ?
C29 C34 C38 121.4(11) . . ?
C36 C35 C37 109.9(13) . . ?
C36 C35 C30 113.2(13) . . ?
C37 C35 C30 110.3(15) . . ?
C34 C38 C40 109.9(12) . . ?
C34 C38 C39 112.3(11) . . ?
C40 C38 C39 109.5(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 0.6(15) . . . . ?
Ru1 C1 C2 C3 -63.1(9) . . . . ?
C5 C1 C2 Ru1 63.7(10) . . . . ?
C1 C2 C3 C4 -1.5(14) . . . . ?
Ru1 C2 C3 C4 -62.5(9) . . . . ?
C1 C2 C3 Ru1 61.0(9) . . . . ?
C2 C3 C4 C5 1.7(14) . . . . ?
Ru1 C3 C4 C5 -60.7(9) . . . . ?
C2 C3 C4 Ru1 62.5(9) . . . . ?
C2 C1 C5 C4 0.5(15) . . . . ?
Ru1 C1 C5 C4 65.9(10) . . . . ?
C2 C1 C5 Ru1 -65.4(9) . . . . ?
C3 C4 C5 C1 -1.4(15) . . . . ?
Ru1 C4 C5 C1 -64.0(9) . . . . ?
C3 C4 C5 Ru1 62.6(9) . . . . ?
C11 C6 C7 C8 -1(2) . . . . ?
Si1 C6 C7 C8 177.4(13) . . . . ?
C6 C7 C8 C9 0(3) . . . . ?
C7 C8 C9 C10 1(3) . . . . ?
C8 C9 C10 C11 -2(3) . . . . ?
C7 C6 C11 C10 -1(2) . . . . ?
Si1 C6 C11 C10 -178.6(12) . . . . ?
C9 C10 C11 C6 2(3) . . . . ?
C15 N1 C14 N2 1.4(10) . . . . ?
C17 N1 C14 N2 -171.7(9) . . . . ?
C15 N1 C14 Ru1 -177.2(7) . . . . ?
C17 N1 C14 Ru1 9.7(13) . . . . ?
C16 N2 C14 N1 -1.1(10) . . . . ?
C29 N2 C14 N1 171.6(10) . . . . ?
C16 N2 C14 Ru1 177.5(7) . . . . ?
C29 N2 C14 Ru1 -9.8(15) . . . . ?
C14 N1 C15 C16 -1.2(12) . . . . ?
C17 N1 C15 C16 172.3(9) . . . . ?
N1 C15 C16 N2 0.5(12) . . . . ?
C14 N2 C16 C15 0.4(12) . . . . ?
C29 N2 C16 C15 -173.0(10) . . . . ?
C14 N1 C17 C22 -96.5(11) . . . . ?
C15 N1 C17 C22 91.0(11) . . . . ?
C14 N1 C17 C18 85.0(12) . . . . ?
C15 N1 C17 C18 -87.4(11) . . . . ?
C22 C17 C18 C19 4.5(14) . . . . ?
N1 C17 C18 C19 -177.0(9) . . . . ?
C22 C17 C18 C23 -173.3(9) . . . . ?
N1 C17 C18 C23 5.2(13) . . . . ?
C17 C18 C19 C20 -1.0(18) . . . . ?
C23 C18 C19 C20 176.8(12) . . . . ?
C18 C19 C20 C21 -2(2) . . . . ?
C19 C20 C21 C22 2(2) . . . . ?
C20 C21 C22 C17 1.6(17) . . . . ?
C20 C21 C22 C26 -175.6(11) . . . . ?
N1 C17 C22 C21 176.7(9) . . . . ?
C18 C17 C22 C21 -4.8(14) . . . . ?
N1 C17 C22 C26 -6.2(13) . . . . ?
C18 C17 C22 C26 172.3(9) . . . . ?
C19 C18 C23 C25 -89.0(15) . . . . ?
C17 C18 C23 C25 88.7(13) . . . . ?
C19 C18 C23 C24 33.2(16) . . . . ?
C17 C18 C23 C24 -149.0(11) . . . . ?
C21 C22 C26 C28 76.2(14) . . . . ?
C17 C22 C26 C28 -100.9(12) . . . . ?
C21 C22 C26 C27 -45.7(15) . . . . ?
C17 C22 C26 C27 137.2(11) . . . . ?
C14 N2 C29 C34 100.9(14) . . . . ?
C16 N2 C29 C34 -87.1(13) . . . . ?
C14 N2 C29 C30 -80.9(14) . . . . ?
C16 N2 C29 C30 91.1(14) . . . . ?
C34 C29 C30 C31 -5(2) . . . . ?
N2 C29 C30 C31 177.3(13) . . . . ?
C34 C29 C30 C35 174.4(13) . . . . ?
N2 C29 C30 C35 -3.8(19) . . . . ?
C29 C30 C31 C32 2(3) . . . . ?
C35 C30 C31 C32 -176.8(17) . . . . ?
C30 C31 C32 C33 2(3) . . . . ?
C31 C32 C33 C34 -4(3) . . . . ?
C32 C33 C34 C29 1(2) . . . . ?
C32 C33 C34 C38 178.6(15) . . . . ?
C30 C29 C34 C33 2.8(19) . . . . ?
N2 C29 C34 C33 -179.1(12) . . . . ?
C30 C29 C34 C38 -174.5(12) . . . . ?
N2 C29 C34 C38 3.6(17) . . . . ?
C31 C30 C35 C36 -32(2) . . . . ?
C29 C30 C35 C36 149.4(15) . . . . ?
C31 C30 C35 C37 91.8(18) . . . . ?
C29 C30 C35 C37 -87.0(17) . . . . ?
C33 C34 C38 C40 -84.6(16) . . . . ?
C29 C34 C38 C40 92.5(14) . . . . ?
C33 C34 C38 C39 37.6(18) . . . . ?
C29 C34 C38 C39 -145.3(12) . . . . ?

_refine_diff_density_max         3.762
_refine_diff_density_min         -1.849
_refine_diff_density_rms         0.225

