Ticket #8025: 168875.cif

####################################################################### 
# 
# 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_[5]
_audit_block_doi                 10.5517/cc5nql3
_database_code_depnum_ccdc_archive 'CCDC 168875'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1016/S0022-328X(01)01331-6 2002
_audit_update_record             
;
2001-08-14 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
Carbonyl[bis(dimethylsilyl)dimethylammonium](\m-chloro)-
[di-\m-(dimethylsilyl)]dihydridocarbonyldiruthenium(II)
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H47 Cl N O2 P Ru2 Si4'
_chemical_formula_weight         834.61

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'
P P 0.1023 0.0942 '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   'P 21/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                   9.95660(10)
_cell_length_b                   28.0421(3)
_cell_length_c                   13.61420(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.190(1)
_cell_angle_gamma                90.00
_cell_volume                     3771.22(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    203(2)
_cell_measurement_reflns_used    8192
_cell_measurement_theta_min      2
_cell_measurement_theta_max      26

_exptl_crystal_description       Prism
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1704
_exptl_absorpt_coefficient_mu    1.068
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_absorpt_correction_T_min  0.6451
_exptl_absorpt_correction_T_max  0.7990

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      203(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  'Siemens SMART'
_diffrn_measurement_method       'Area detector \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        '< 2'
_diffrn_reflns_number            22810
_diffrn_reflns_av_R_equivalents  0.0156
_diffrn_reflns_av_sigmaI/netI    0.0194
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.45
_diffrn_reflns_theta_max         27.48
_reflns_number_total             8328
_reflns_number_gt                7536
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_cell_refinement       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT  (Siemens, 1995)'
_computing_structure_solution    'SHELXS Sheldrick, (1990)'
_computing_structure_refinement  'SHELXL-97 Sheldrick, (1997)'
_computing_molecular_graphics    'Siemens SHELXTL (Siemens, 1994)'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
?
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0197P)^2^+3.2548P] where P=(Fo^2^+2Fc^2^)/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         8328
_refine_ls_number_parameters     386
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0238
_refine_ls_wR_factor_ref         0.0565
_refine_ls_wR_factor_gt          0.0546
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          2.995
_refine_ls_shift/su_mean         0.046

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_symetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.682180(17) 0.405910(6) 0.370205(12) 0.02400(5) Uani 1 1 d D . .
H1 H 0.5233(17) 0.4084(7) 0.3952(14) 0.029 Uiso 1 1 d D . .
H2 H 0.8437(16) 0.4040(7) 0.3444(14) 0.029 Uiso 1 1 d D . .
Ru2 Ru 0.747077(15) 0.336687(5) 0.511888(11) 0.01992(4) Uani 1 1 d . . .
Cl Cl 0.65854(5) 0.317540(18) 0.33447(4) 0.02829(10) Uani 1 1 d . . .
Si1 Si 0.53354(6) 0.37573(2) 0.49829(4) 0.02886(12) Uani 1 1 d D . .
Si2 Si 0.91824(6) 0.37259(2) 0.42895(5) 0.02869(12) Uani 1 1 d D . .
Si3 Si 0.89660(6) 0.27153(2) 0.55313(5) 0.02852(12) Uani 1 1 d . . .
Si4 Si 0.63854(6) 0.27602(2) 0.59531(5) 0.02953(13) Uani 1 1 d . . .
P1 P 0.61001(5) 0.444315(19) 0.22010(4) 0.02444(11) Uani 1 1 d . . .
N1 N 0.7987(2) 0.24233(6) 0.65044(14) 0.0323(4) Uani 1 1 d . . .
O1 O 0.7406(2) 0.49315(6) 0.49214(15) 0.0529(5) Uani 1 1 d . . .
O2 O 0.8390(2) 0.38784(7) 0.69967(13) 0.0467(4) Uani 1 1 d . . .
C1 C 0.7177(2) 0.46055(8) 0.44154(17) 0.0344(5) Uani 1 1 d . . .
C2 C 0.8038(2) 0.36702(8) 0.62709(16) 0.0290(4) Uani 1 1 d . . .
C3 C 0.4926(3) 0.42009(11) 0.5928(2) 0.0520(7) Uani 1 1 d . . .
H3A H 0.4558 0.4036 0.6461 0.078 Uiso 1 1 calc R . .
H3B H 0.4264 0.4427 0.5621 0.078 Uiso 1 1 calc R . .
H3C H 0.5742 0.4370 0.6191 0.078 Uiso 1 1 calc R . .
C4 C 0.3678(2) 0.34551(11) 0.4528(2) 0.0493(7) Uani 1 1 d . . .
H4A H 0.3349 0.3286 0.5073 0.074 Uiso 1 1 calc R . .
H4B H 0.3815 0.3231 0.4008 0.074 Uiso 1 1 calc R . .
H4C H 0.3019 0.3693 0.4271 0.074 Uiso 1 1 calc R . .
C5 C 1.0088(3) 0.33969(10) 0.3354(2) 0.0435(6) Uani 1 1 d . . .
H5A H 1.0812 0.3206 0.3697 0.065 Uiso 1 1 calc R . .
H5B H 1.0464 0.3625 0.2928 0.065 Uiso 1 1 calc R . .
H5C H 0.9453 0.3191 0.2957 0.065 Uiso 1 1 calc R . .
C6 C 1.0434(3) 0.41627(10) 0.4928(2) 0.0466(6) Uani 1 1 d . . .
H6A H 1.1130 0.3991 0.5349 0.070 Uiso 1 1 calc R . .
H6B H 0.9971 0.4379 0.5328 0.070 Uiso 1 1 calc R . .
H6C H 1.0846 0.4343 0.4436 0.070 Uiso 1 1 calc R . .
C7 C 1.0747(3) 0.27819(10) 0.6167(2) 0.0475(6) Uani 1 1 d . . .
H7A H 1.1340 0.2872 0.5685 0.071 Uiso 1 1 calc R . .
H7B H 1.1048 0.2481 0.6471 0.071 Uiso 1 1 calc R . .
H7C H 1.0769 0.3027 0.6673 0.071 Uiso 1 1 calc R . .
C8 C 0.9022(3) 0.22366(9) 0.4571(2) 0.0492(7) Uani 1 1 d . . .
H8A H 0.9573 0.2343 0.4074 0.074 Uiso 1 1 calc R . .
H8B H 0.8111 0.2171 0.4260 0.074 Uiso 1 1 calc R . .
H8C H 0.9411 0.1949 0.4884 0.074 Uiso 1 1 calc R . .
C9 C 0.5378(3) 0.22954(10) 0.5184(2) 0.0539(7) Uani 1 1 d . . .
H9A H 0.4509 0.2428 0.4915 0.081 Uiso 1 1 calc R . .
H9B H 0.5237 0.2022 0.5594 0.081 Uiso 1 1 calc R . .
H9C H 0.5868 0.2197 0.4645 0.081 Uiso 1 1 calc R . .
C10 C 0.5431(3) 0.28774(11) 0.7037(2) 0.0526(7) Uani 1 1 d . . .
H10A H 0.4540 0.3002 0.6801 0.079 Uiso 1 1 calc R . .
H10B H 0.5922 0.3108 0.7475 0.079 Uiso 1 1 calc R . .
H10C H 0.5338 0.2582 0.7395 0.079 Uiso 1 1 calc R . .
C11 C 0.7945(3) 0.18924(9) 0.6551(2) 0.0476(7) Uani 1 1 d . . .
H11A H 0.7324 0.1795 0.7008 0.071 Uiso 1 1 calc R . .
H11B H 0.8843 0.1771 0.6777 0.071 Uiso 1 1 calc R . .
H11C H 0.7640 0.1766 0.5898 0.071 Uiso 1 1 calc R . .
C12 C 0.8480(3) 0.26044(10) 0.75155(18) 0.0428(6) Uani 1 1 d . . .
H12A H 0.7865 0.2504 0.7974 0.064 Uiso 1 1 calc R . .
H12B H 0.8521 0.2950 0.7503 0.064 Uiso 1 1 calc R . .
H12C H 0.9376 0.2477 0.7727 0.064 Uiso 1 1 calc R . .
C21 C 0.4253(2) 0.44660(7) 0.18722(16) 0.0280(4) Uani 1 1 d . . .
C22 C 0.3462(3) 0.46341(9) 0.25802(18) 0.0391(5) Uani 1 1 d . . .
H22A H 0.3883 0.4732 0.3204 0.047 Uiso 1 1 calc R . .
C23 C 0.2072(3) 0.46574(11) 0.2372(2) 0.0518(7) Uani 1 1 d . . .
H23A H 0.1554 0.4778 0.2848 0.062 Uiso 1 1 calc R . .
C24 C 0.1438(3) 0.45039(12) 0.1465(2) 0.0548(8) Uani 1 1 d . . .
H24A H 0.0489 0.4513 0.1330 0.066 Uiso 1 1 calc R . .
C25 C 0.2201(3) 0.43380(10) 0.0761(2) 0.0481(7) Uani 1 1 d . . .
H25A H 0.1771 0.4236 0.0142 0.058 Uiso 1 1 calc R . .
C26 C 0.3606(2) 0.43202(9) 0.09595(18) 0.0357(5) Uani 1 1 d . . .
H26A H 0.4119 0.4209 0.0472 0.043 Uiso 1 1 calc R . .
C31 C 0.6729(2) 0.41876(8) 0.11004(15) 0.0292(4) Uani 1 1 d . . .
C32 C 0.7180(3) 0.44696(9) 0.03682(18) 0.0421(6) Uani 1 1 d . . .
H32A H 0.7140 0.4804 0.0417 0.051 Uiso 1 1 calc R . .
C33 C 0.7690(3) 0.42614(11) -0.0438(2) 0.0529(7) Uani 1 1 d . . .
H33A H 0.7994 0.4456 -0.0927 0.063 Uiso 1 1 calc R . .
C34 C 0.7751(3) 0.37740(11) -0.0520(2) 0.0499(7) Uani 1 1 d . . .
H34A H 0.8103 0.3635 -0.1062 0.060 Uiso 1 1 calc R . .
C35 C 0.7296(3) 0.34877(10) 0.0195(2) 0.0474(6) Uani 1 1 d . . .
H35A H 0.7324 0.3154 0.0135 0.057 Uiso 1 1 calc R . .
C36 C 0.6796(3) 0.36945(9) 0.10052(18) 0.0392(5) Uani 1 1 d . . .
H36A H 0.6500 0.3498 0.1495 0.047 Uiso 1 1 calc R . .
C41 C 0.6607(2) 0.50699(8) 0.21230(16) 0.0323(5) Uani 1 1 d . . .
C42 C 0.7938(3) 0.51955(11) 0.2455(2) 0.0512(7) Uani 1 1 d . . .
H42A H 0.8544 0.4964 0.2746 0.061 Uiso 1 1 calc R . .
C43 C 0.8376(4) 0.56627(13) 0.2357(2) 0.0698(11) Uani 1 1 d . . .
H43A H 0.9279 0.5745 0.2574 0.084 Uiso 1 1 calc R . .
C44 C 0.7487(4) 0.60028(11) 0.1944(2) 0.0694(11) Uani 1 1 d . . .
H44A H 0.7787 0.6318 0.1882 0.083 Uiso 1 1 calc R . .
C45 C 0.6178(4) 0.58889(9) 0.1624(2) 0.0535(8) Uani 1 1 d . . .
H45A H 0.5576 0.6125 0.1347 0.064 Uiso 1 1 calc R . .
C46 C 0.5728(3) 0.54203(8) 0.17066(17) 0.0386(5) Uani 1 1 d . . .
H46A H 0.4825 0.5342 0.1479 0.046 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.03008(9) 0.02243(8) 0.01875(8) 0.00102(6) 0.00014(6) 0.00225(6)
Ru2 0.02150(8) 0.02076(8) 0.01752(8) 0.00077(5) 0.00254(6) -0.00076(6)
Cl 0.0324(3) 0.0290(2) 0.0227(2) -0.00466(18) 0.00065(19) -0.0048(2)
Si1 0.0245(3) 0.0357(3) 0.0273(3) 0.0001(2) 0.0068(2) 0.0038(2)
Si2 0.0239(3) 0.0332(3) 0.0295(3) -0.0028(2) 0.0058(2) -0.0034(2)
Si3 0.0288(3) 0.0278(3) 0.0299(3) 0.0038(2) 0.0070(2) 0.0049(2)
Si4 0.0292(3) 0.0296(3) 0.0309(3) 0.0068(2) 0.0082(2) -0.0023(2)
P1 0.0277(3) 0.0251(2) 0.0201(2) 0.00222(19) 0.00135(19) 0.0008(2)
N1 0.0386(11) 0.0268(9) 0.0323(10) 0.0078(7) 0.0075(8) 0.0031(8)
O1 0.0752(14) 0.0309(9) 0.0510(12) -0.0129(8) 0.0011(10) -0.0021(9)
O2 0.0591(12) 0.0515(11) 0.0282(9) -0.0104(8) 0.0001(8) -0.0123(9)
C1 0.0436(13) 0.0287(11) 0.0305(11) 0.0031(9) 0.0024(10) 0.0041(9)
C2 0.0306(11) 0.0303(11) 0.0257(10) 0.0027(8) 0.0024(8) -0.0019(8)
C3 0.0566(17) 0.0570(17) 0.0458(16) -0.0084(13) 0.0198(13) 0.0173(14)
C4 0.0243(12) 0.0691(19) 0.0546(17) -0.0010(14) 0.0055(11) -0.0027(12)
C5 0.0353(13) 0.0524(15) 0.0454(15) -0.0056(12) 0.0154(11) 0.0028(11)
C6 0.0341(13) 0.0582(17) 0.0473(15) -0.0078(12) 0.0045(11) -0.0186(12)
C7 0.0305(13) 0.0544(16) 0.0567(17) 0.0183(13) 0.0021(11) 0.0064(11)
C8 0.0690(19) 0.0354(13) 0.0469(15) -0.0024(11) 0.0226(14) 0.0118(12)
C9 0.0505(17) 0.0405(14) 0.068(2) 0.0082(13) -0.0037(14) -0.0172(12)
C10 0.0527(17) 0.0600(17) 0.0506(16) 0.0225(14) 0.0284(13) 0.0120(14)
C11 0.0580(17) 0.0294(12) 0.0579(17) 0.0144(11) 0.0169(13) 0.0051(11)
C12 0.0515(15) 0.0476(14) 0.0288(12) 0.0089(10) 0.0029(11) 0.0117(12)
C21 0.0300(11) 0.0269(10) 0.0262(10) 0.0062(8) 0.0008(8) 0.0020(8)
C22 0.0378(13) 0.0471(14) 0.0323(12) 0.0048(10) 0.0037(10) 0.0093(11)
C23 0.0386(14) 0.0699(19) 0.0486(16) 0.0144(14) 0.0121(12) 0.0144(13)
C24 0.0296(13) 0.069(2) 0.0646(19) 0.0193(16) 0.0010(13) 0.0018(13)
C25 0.0412(15) 0.0542(16) 0.0447(15) 0.0053(12) -0.0107(12) -0.0062(12)
C26 0.0364(13) 0.0382(12) 0.0310(12) 0.0032(9) -0.0016(9) 0.0000(10)
C31 0.0298(11) 0.0359(11) 0.0218(10) 0.0023(8) 0.0025(8) 0.0034(9)
C32 0.0545(16) 0.0408(13) 0.0329(13) 0.0077(10) 0.0126(11) 0.0069(11)
C33 0.0671(19) 0.0596(17) 0.0367(14) 0.0115(13) 0.0249(13) 0.0079(15)
C34 0.0569(17) 0.0620(18) 0.0341(13) -0.0025(12) 0.0190(12) 0.0133(14)
C35 0.0607(18) 0.0437(14) 0.0397(14) -0.0049(11) 0.0143(12) 0.0091(13)
C36 0.0534(15) 0.0371(12) 0.0292(12) 0.0001(10) 0.0134(11) 0.0016(11)
C41 0.0447(13) 0.0305(11) 0.0214(10) 0.0018(8) 0.0027(9) -0.0076(9)
C42 0.0543(17) 0.0552(16) 0.0410(14) 0.0127(12) -0.0062(12) -0.0211(13)
C43 0.085(2) 0.075(2) 0.0451(17) 0.0099(16) -0.0086(16) -0.051(2)
C44 0.127(3) 0.0446(17) 0.0358(15) 0.0031(13) 0.0057(17) -0.0382(19)
C45 0.099(3) 0.0288(12) 0.0342(14) 0.0025(10) 0.0151(14) -0.0039(14)
C46 0.0586(16) 0.0300(11) 0.0276(11) 0.0009(9) 0.0073(10) -0.0005(11)

_geom_special_details            
; 
?
;

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 1.825(2) . y
Ru1 P1 2.3419(5) . y
Ru1 Cl 2.5307(5) . y
Ru1 Si2 2.5624(6) . y
Ru1 Si1 2.5678(6) . y
Ru1 Ru2 2.7557(2) . y
Ru1 H1 1.661(16) . y
Ru1 H2 1.690(15) . y
Ru2 C2 1.811(2) . y
Ru2 Si1 2.3781(6) . y
Ru2 Si4 2.3790(6) . y
Ru2 Si3 2.3791(6) . y
Ru2 Si2 2.3822(6) . y
Ru2 Cl 2.5232(5) . y
Si1 C3 1.871(3) . y
Si1 C4 1.889(3) . y
Si1 H1 1.668(15) . y
Si2 C6 1.881(3) . y
Si2 C5 1.891(2) . y
Si2 H2 1.562(15) . y
Si3 C8 1.879(3) . y
Si3 C7 1.882(3) . y
Si3 N1 1.9233(19) . y
Si4 C10 1.882(3) . y
Si4 C9 1.881(3) . y
Si4 N1 1.923(2) . y
P1 C41 1.835(2) . ?
P1 C21 1.839(2) . ?
P1 C31 1.840(2) . ?
N1 C11 1.491(3) . ?
N1 C12 1.492(3) . ?
O1 C1 1.150(3) . ?
O2 C2 1.163(3) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C21 C26 1.388(3) . ?
C21 C22 1.401(3) . ?
C22 C23 1.379(4) . ?
C22 H22A 0.9400 . ?
C23 C24 1.383(4) . ?
C23 H23A 0.9400 . ?
C24 C25 1.377(4) . ?
C24 H24A 0.9400 . ?
C25 C26 1.391(4) . ?
C25 H25A 0.9400 . ?
C26 H26A 0.9400 . ?
C31 C32 1.390(3) . ?
C31 C36 1.391(3) . ?
C32 C33 1.394(4) . ?
C32 H32A 0.9400 . ?
C33 C34 1.373(4) . ?
C33 H33A 0.9400 . ?
C34 C35 1.381(4) . ?
C34 H34A 0.9400 . ?
C35 C36 1.392(3) . ?
C35 H35A 0.9400 . ?
C36 H36A 0.9400 . ?
C41 C46 1.389(3) . ?
C41 C42 1.391(4) . ?
C42 C43 1.393(4) . ?
C42 H42A 0.9400 . ?
C43 C44 1.372(5) . ?
C43 H43A 0.9400 . ?
C44 C45 1.360(5) . ?
C44 H44A 0.9400 . ?
C45 C46 1.397(3) . ?
C45 H45A 0.9400 . ?
C46 H46A 0.9400 . ?

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 P1 95.52(7) . . y
C1 Ru1 Cl 158.70(7) . . y
P1 Ru1 Cl 105.757(18) . . y
C1 Ru1 Si2 91.76(8) . . y
P1 Ru1 Si2 127.54(2) . . y
Cl Ru1 Si2 76.263(18) . . y
C1 Ru1 Si1 90.30(8) . . y
P1 Ru1 Si1 127.17(2) . . y
Cl Ru1 Si1 76.126(19) . . y
Si2 Ru1 Si1 104.60(2) . . y
C1 Ru1 Ru2 101.89(7) . . ?
P1 Ru1 Ru2 162.581(15) . . ?
Cl Ru1 Ru2 56.826(12) . . ?
Si2 Ru1 Ru2 53.070(14) . . ?
Si1 Ru1 Ru2 52.921(14) . . ?
C1 Ru1 H1 89.0(8) . . ?
P1 Ru1 H1 87.9(6) . . ?
Cl Ru1 H1 90.7(8) . . ?
Si2 Ru1 H1 144.2(5) . . ?
Si1 Ru1 H1 39.6(5) . . ?
Ru2 Ru1 H1 91.8(6) . . ?
C1 Ru1 H2 90.6(8) . . ?
P1 Ru1 H2 91.6(6) . . ?
Cl Ru1 H2 89.9(8) . . ?
Si2 Ru1 H2 36.3(5) . . ?
Si1 Ru1 H2 140.9(5) . . ?
Ru2 Ru1 H2 88.7(5) . . ?
H1 Ru1 H2 179.3(9) . . y
C2 Ru2 Si1 91.70(7) . . y
C2 Ru2 Si4 91.91(7) . . y
Si1 Ru2 Si4 84.91(2) . . y
C2 Ru2 Si3 92.20(7) . . y
Si1 Ru2 Si3 154.01(2) . . y
Si4 Ru2 Si3 69.29(2) . . y
C2 Ru2 Si2 92.76(7) . . y
Si1 Ru2 Si2 117.02(2) . . y
Si4 Ru2 Si2 157.40(2) . . y
Si3 Ru2 Si2 88.44(2) . . y
C2 Ru2 Cl 164.27(7) . . ?
Si1 Ru2 Cl 79.729(19) . . y
Si4 Ru2 Cl 100.35(2) . . y
Si3 Ru2 Cl 101.29(2) . . y
Si2 Ru2 Cl 79.696(19) . . y
C2 Ru2 Ru1 107.19(7) . . y
Si1 Ru2 Ru1 59.483(15) . . y
Si4 Ru2 Ru1 139.218(17) . . y
Si3 Ru2 Ru1 142.287(16) . . y
Si2 Ru2 Ru1 59.302(16) . . y
Cl Ru2 Ru1 57.088(12) . . y
Ru2 Cl Ru1 66.087(13) . . y
C3 Si1 C4 105.48(14) . . y
C3 Si1 Ru2 121.50(10) . . y
C4 Si1 Ru2 123.69(10) . . y
C3 Si1 Ru1 116.22(10) . . y
C4 Si1 Ru1 118.65(10) . . y
Ru2 Si1 Ru1 67.596(16) . . y
C3 Si1 H1 102.6(8) . . y
C4 Si1 H1 90.7(7) . . y
Ru2 Si1 H1 106.1(6) . . y
Ru1 Si1 H1 39.4(5) . . y
C6 Si2 C5 106.54(12) . . y
C6 Si2 Ru2 121.89(9) . . y
C5 Si2 Ru2 122.89(9) . . y
C6 Si2 Ru1 115.82(10) . . y
C5 Si2 Ru1 117.64(9) . . y
Ru2 Si2 Ru1 67.628(16) . . y
C6 Si2 H2 101.5(8) . . y
C5 Si2 H2 90.1(7) . . y
Ru2 Si2 H2 106.6(6) . . y
Ru1 Si2 H2 39.8(6) . . y
C8 Si3 C7 106.41(14) . . ?
C8 Si3 N1 103.68(11) . . ?
C7 Si3 N1 104.76(11) . . ?
C8 Si3 Ru2 117.17(10) . . ?
C7 Si3 Ru2 123.91(9) . . ?
N1 Si3 Ru2 97.67(6) . . ?
C10 Si4 C9 105.73(15) . . ?
C10 Si4 N1 104.79(11) . . ?
C9 Si4 N1 103.60(12) . . ?
C10 Si4 Ru2 123.63(10) . . ?
C9 Si4 Ru2 118.17(10) . . ?
N1 Si4 Ru2 97.68(6) . . ?
C41 P1 C21 103.09(10) . . ?
C41 P1 C31 101.64(10) . . ?
C21 P1 C31 104.31(10) . . ?
C41 P1 Ru1 115.74(7) . . ?
C21 P1 Ru1 114.63(7) . . ?
C31 P1 Ru1 115.66(7) . . ?
C11 N1 C12 108.0(2) . . ?
C11 N1 Si3 118.29(16) . . ?
C12 N1 Si3 110.73(16) . . ?
C11 N1 Si4 118.73(17) . . ?
C12 N1 Si4 110.73(15) . . ?
Si3 N1 Si4 89.37(8) . . ?
O1 C1 Ru1 175.4(2) . . ?
O2 C2 Ru2 177.9(2) . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si3 C7 H7A 109.5 . . ?
Si3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si3 C8 H8A 109.5 . . ?
Si3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si4 C10 H10A 109.5 . . ?
Si4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12A 109.5 . . ?
N1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C26 C21 C22 118.5(2) . . ?
C26 C21 P1 123.10(18) . . ?
C22 C21 P1 118.41(17) . . ?
C23 C22 C21 120.7(2) . . ?
C23 C22 H22A 119.6 . . ?
C21 C22 H22A 119.6 . . ?
C22 C23 C24 120.2(3) . . ?
C22 C23 H23A 119.9 . . ?
C24 C23 H23A 119.9 . . ?
C25 C24 C23 119.8(3) . . ?
C25 C24 H24A 120.1 . . ?
C23 C24 H24A 120.1 . . ?
C24 C25 C26 120.4(3) . . ?
C24 C25 H25A 119.8 . . ?
C26 C25 H25A 119.8 . . ?
C21 C26 C25 120.4(2) . . ?
C21 C26 H26A 119.8 . . ?
C25 C26 H26A 119.8 . . ?
C32 C31 C36 118.4(2) . . ?
C32 C31 P1 122.39(18) . . ?
C36 C31 P1 119.23(17) . . ?
C31 C32 C33 120.6(2) . . ?
C31 C32 H32A 119.7 . . ?
C33 C32 H32A 119.7 . . ?
C34 C33 C32 120.3(2) . . ?
C34 C33 H33A 119.8 . . ?
C32 C33 H33A 119.8 . . ?
C33 C34 C35 120.0(2) . . ?
C33 C34 H34A 120.0 . . ?
C35 C34 H34A 120.0 . . ?
C34 C35 C36 119.8(3) . . ?
C34 C35 H35A 120.1 . . ?
C36 C35 H35A 120.1 . . ?
C31 C36 C35 120.9(2) . . ?
C31 C36 H36A 119.5 . . ?
C35 C36 H36A 119.5 . . ?
C46 C41 C42 118.6(2) . . ?
C46 C41 P1 122.52(19) . . ?
C42 C41 P1 118.8(2) . . ?
C41 C42 C43 120.3(3) . . ?
C41 C42 H42A 119.9 . . ?
C43 C42 H42A 119.9 . . ?
C44 C43 C42 120.0(3) . . ?
C44 C43 H43A 120.0 . . ?
C42 C43 H43A 120.0 . . ?
C45 C44 C43 120.7(3) . . ?
C45 C44 H44A 119.6 . . ?
C43 C44 H44A 119.6 . . ?
C44 C45 C46 119.9(3) . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C41 C46 C45 120.4(3) . . ?
C41 C46 H46A 119.8 . . ?
C45 C46 H46A 119.8 . . ?

_diffrn_measured_fraction_theta_max 0.963
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.963
_refine_diff_density_max         1.605
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.060