# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_masa828
_database_code_depnum_ccdc_archive 'CCDC 1507473'
_audit_update_record             
;
2016-09-30 deposited with the CCDC.
2017-02-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ClOlumboleRuthenocene
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H55 Cl Pb Ru Si2'
_chemical_formula_sum            'C38 H55 Cl Pb Ru Si2'
_chemical_formula_weight         911.72

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'
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'
Pb Pb -3.3944 10.1111 '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'
_symmetry_space_group_name_Hall  '-P 2yn'

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                   9.7280(12)
_cell_length_b                   18.602(2)
_cell_length_c                   21.538(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.419(2)
_cell_angle_gamma                90.00
_cell_volume                     3880.1(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3877
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      25.69

_exptl_crystal_description       cube
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1816
_exptl_absorpt_coefficient_mu    4.877
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.907
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_process_details   'XPREP; Bruker AXS 2008'

_exptl_special_details           
; 
'SADABS-2008/1 - Bruker AXS 2008'
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19407
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_av_sigmaI/netI    0.0731
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.45
_diffrn_reflns_theta_max         25.84
_reflns_number_total             7476
_reflns_number_gt                5281
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2 (Bruker 2008)'
_computing_cell_refinement       'Bruker SAINT (Bruker 2008)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics    'XSHEL (Bruker, 2002)'
_computing_publication_material  'XCIF (Bruker, 2001)'

_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)+(0.0200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7476
_refine_ls_number_parameters     403
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0361
_refine_ls_wR_factor_ref         0.0671
_refine_ls_wR_factor_gt          0.0603
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_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
Pb1 Pb 0.47172(2) 0.807499(11) 0.243975(9) 0.02527(7) Uani 1 1 d . . .
C1 C 0.5413(5) 0.6848(3) 0.2549(2) 0.0206(11) Uani 1 1 d . . .
C2 C 0.4797(5) 0.6568(3) 0.1981(2) 0.0209(12) Uani 1 1 d . . .
C3 C 0.4747(5) 0.7010(3) 0.1409(2) 0.0232(12) Uani 1 1 d . . .
C4 C 0.5251(5) 0.7720(3) 0.1433(2) 0.0215(12) Uani 1 1 d . . .
Si1 Si 0.53959(16) 0.64961(8) 0.33684(7) 0.0241(4) Uani 1 1 d . . .
C5 C 0.6789(6) 0.6947(3) 0.3873(2) 0.0383(15) Uani 1 1 d . . .
H5A H 0.7652 0.6711 0.3831 0.057 Uiso 1 1 calc R . .
H5B H 0.6584 0.6923 0.4300 0.057 Uiso 1 1 calc R . .
H5C H 0.6852 0.7441 0.3750 0.057 Uiso 1 1 calc R . .
C6 C 0.5676(6) 0.5500(3) 0.3394(3) 0.0342(15) Uani 1 1 d . . .
H6A H 0.6378 0.5374 0.3129 0.051 Uiso 1 1 calc R . .
H6B H 0.4831 0.5260 0.3253 0.051 Uiso 1 1 calc R . .
H6C H 0.5964 0.5356 0.3814 0.051 Uiso 1 1 calc R . .
C7 C 0.3735(6) 0.6693(3) 0.3746(3) 0.0322(15) Uani 1 1 d . . .
C8 C 0.3592(7) 0.7480(3) 0.3945(3) 0.0453(18) Uani 1 1 d . . .
H8A H 0.3544 0.7784 0.3584 0.068 Uiso 1 1 calc R . .
H8B H 0.4377 0.7613 0.4225 0.068 Uiso 1 1 calc R . .
H8C H 0.2765 0.7536 0.4151 0.068 Uiso 1 1 calc R . .
C9 C 0.3768(6) 0.6229(3) 0.4337(3) 0.0394(16) Uani 1 1 d . . .
H9A H 0.4578 0.6344 0.4609 0.059 Uiso 1 1 calc R . .
H9B H 0.3788 0.5730 0.4225 0.059 Uiso 1 1 calc R . .
H9C H 0.2959 0.6324 0.4547 0.059 Uiso 1 1 calc R . .
C10 C 0.2450(6) 0.6481(3) 0.3322(3) 0.0462(18) Uani 1 1 d . . .
H10A H 0.1646 0.6534 0.3545 0.069 Uiso 1 1 calc R . .
H10B H 0.2529 0.5989 0.3194 0.069 Uiso 1 1 calc R . .
H10C H 0.2366 0.6786 0.2961 0.069 Uiso 1 1 calc R . .
C11 C 0.4305(6) 0.5800(3) 0.1910(2) 0.0219(13) Uani 1 1 d . . .
C12 C 0.2911(6) 0.5647(3) 0.1920(2) 0.0312(14) Uani 1 1 d . . .
H12A H 0.2287 0.6017 0.1970 0.037 Uiso 1 1 calc R . .
C13 C 0.2444(7) 0.4944(3) 0.1857(3) 0.0398(16) Uani 1 1 d . . .
H13A H 0.1509 0.4845 0.1866 0.048 Uiso 1 1 calc R . .
C14 C 0.3346(7) 0.4396(3) 0.1782(3) 0.0418(17) Uani 1 1 d . . .
H14A H 0.3025 0.3926 0.1741 0.050 Uiso 1 1 calc R . .
C15 C 0.4719(7) 0.4539(3) 0.1766(3) 0.0369(16) Uani 1 1 d . . .
H15A H 0.5332 0.4165 0.1713 0.044 Uiso 1 1 calc R . .
C16 C 0.5208(6) 0.5247(3) 0.1831(2) 0.0282(14) Uani 1 1 d . . .
H16A H 0.6144 0.5342 0.1820 0.034 Uiso 1 1 calc R . .
C17 C 0.4227(6) 0.6648(3) 0.0799(2) 0.0287(14) Uani 1 1 d . . .
C18 C 0.2828(7) 0.6606(3) 0.0623(3) 0.0414(17) Uani 1 1 d . . .
H18A H 0.2204 0.6789 0.0885 0.050 Uiso 1 1 calc R . .
C19 C 0.2350(9) 0.6295(4) 0.0060(3) 0.062(2) Uani 1 1 d . . .
H19A H 0.1407 0.6272 -0.0059 0.074 Uiso 1 1 calc R . .
C20 C 0.3278(10) 0.6018(4) -0.0323(3) 0.064(2) Uani 1 1 d . . .
H20A H 0.2957 0.5817 -0.0705 0.076 Uiso 1 1 calc R . .
C21 C 0.4669(9) 0.6036(4) -0.0146(3) 0.065(2) Uani 1 1 d . . .
H21A H 0.5291 0.5837 -0.0401 0.078 Uiso 1 1 calc R . .
C22 C 0.5141(7) 0.6356(3) 0.0418(3) 0.0423(17) Uani 1 1 d . . .
H22A H 0.6084 0.6373 0.0540 0.051 Uiso 1 1 calc R . .
Si2 Si 0.50090(17) 0.84561(8) 0.08329(7) 0.0265(4) Uani 1 1 d . . .
C23 C 0.5158(6) 0.8113(3) 0.0023(2) 0.0354(14) Uani 1 1 d . . .
H23A H 0.5931 0.7791 0.0026 0.053 Uiso 1 1 calc R . .
H23B H 0.5292 0.8510 -0.0250 0.053 Uiso 1 1 calc R . .
H23C H 0.4328 0.7861 -0.0123 0.053 Uiso 1 1 calc R . .
C24 C 0.6341(7) 0.9163(3) 0.1012(3) 0.0467(18) Uani 1 1 d . . .
H24A H 0.6444 0.9252 0.1454 0.070 Uiso 1 1 calc R . .
H24B H 0.6059 0.9597 0.0796 0.070 Uiso 1 1 calc R . .
H24C H 0.7206 0.9004 0.0880 0.070 Uiso 1 1 calc R . .
C25 C 0.3264(6) 0.8924(3) 0.0836(2) 0.0307(14) Uani 1 1 d . . .
C26 C 0.3069(7) 0.9389(3) 0.0241(3) 0.0415(17) Uani 1 1 d . . .
H26A H 0.3073 0.9087 -0.0120 0.062 Uiso 1 1 calc R . .
H26B H 0.3809 0.9731 0.0243 0.062 Uiso 1 1 calc R . .
H26C H 0.2205 0.9640 0.0229 0.062 Uiso 1 1 calc R . .
C27 C 0.2063(6) 0.8409(3) 0.0829(3) 0.0429(17) Uani 1 1 d . . .
H27A H 0.2118 0.8147 0.1215 0.064 Uiso 1 1 calc R . .
H27B H 0.2093 0.8079 0.0488 0.064 Uiso 1 1 calc R . .
H27C H 0.1213 0.8675 0.0780 0.064 Uiso 1 1 calc R . .
C28 C 0.3189(8) 0.9439(3) 0.1391(3) 0.053(2) Uani 1 1 d . . .
H28A H 0.2315 0.9683 0.1352 0.080 Uiso 1 1 calc R . .
H28B H 0.3921 0.9786 0.1394 0.080 Uiso 1 1 calc R . .
H28C H 0.3284 0.9170 0.1773 0.080 Uiso 1 1 calc R . .
Ru1 Ru 0.68251(5) 0.71058(2) 0.191649(19) 0.02087(11) Uani 1 1 d . . .
Cl1 Cl 0.65483(17) 0.89430(8) 0.29561(7) 0.0419(4) Uani 1 1 d . . .
C29 C 0.8766(6) 0.6503(3) 0.2258(3) 0.0258(13) Uani 1 1 d . . .
C30 C 0.8585(6) 0.6465(3) 0.1584(3) 0.0302(14) Uani 1 1 d . . .
C31 C 0.8652(6) 0.7177(3) 0.1343(3) 0.0303(14) Uani 1 1 d . . .
C32 C 0.8826(6) 0.7656(3) 0.1860(3) 0.0257(13) Uani 1 1 d . . .
C33 C 0.8907(5) 0.7237(3) 0.2419(2) 0.0228(13) Uani 1 1 d . . .
C34 C 0.8961(6) 0.5863(3) 0.2677(3) 0.0304(14) Uani 1 1 d . . .
H34A H 0.9905 0.5707 0.2697 0.046 Uiso 1 1 calc R . .
H34B H 0.8367 0.5481 0.2516 0.046 Uiso 1 1 calc R . .
H34C H 0.8736 0.5990 0.3088 0.046 Uiso 1 1 calc R . .
C35 C 0.8615(6) 0.5780(3) 0.1206(3) 0.0405(16) Uani 1 1 d . . .
H35A H 0.7899 0.5796 0.0868 0.061 Uiso 1 1 calc R . .
H35B H 0.8467 0.5375 0.1468 0.061 Uiso 1 1 calc R . .
H35C H 0.9496 0.5735 0.1044 0.061 Uiso 1 1 calc R . .
C36 C 0.8683(6) 0.7372(3) 0.0680(3) 0.0395(16) Uani 1 1 d . . .
H36A H 0.8372 0.7859 0.0617 0.059 Uiso 1 1 calc R . .
H36B H 0.8088 0.7055 0.0426 0.059 Uiso 1 1 calc R . .
H36C H 0.9609 0.7329 0.0566 0.059 Uiso 1 1 calc R . .
C37 C 0.9160(6) 0.8444(3) 0.1850(3) 0.0355(15) Uani 1 1 d . . .
H37A H 1.0090 0.8519 0.2030 0.053 Uiso 1 1 calc R . .
H37B H 0.8534 0.8703 0.2087 0.053 Uiso 1 1 calc R . .
H37C H 0.9069 0.8613 0.1427 0.053 Uiso 1 1 calc R . .
C38 C 0.9314(6) 0.7556(3) 0.3051(2) 0.0292(14) Uani 1 1 d . . .
H38A H 0.9316 0.7187 0.3362 0.044 Uiso 1 1 calc R . .
H38B H 0.8665 0.7924 0.3136 0.044 Uiso 1 1 calc R . .
H38C H 1.0221 0.7762 0.3057 0.044 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 C4 2.371(5) . ?
Pb1 C1 2.385(5) . ?
Pb1 Cl1 2.5774(15) . ?
Pb1 Ru1 3.0269(5) . ?
C1 C2 1.412(7) . ?
C1 Si1 1.884(5) . ?
C1 Ru1 2.080(5) . ?
C2 C3 1.478(7) . ?
C2 C11 1.509(7) . ?
C2 Ru1 2.229(5) . ?
C3 C4 1.408(7) . ?
C3 C17 1.522(7) . ?
C3 Ru1 2.213(5) . ?
C4 Si2 1.882(5) . ?
C4 Ru1 2.106(5) . ?
Si1 C5 1.856(6) . ?
Si1 C6 1.873(5) . ?
Si1 C7 1.912(6) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C10 1.529(8) . ?
C7 C8 1.536(8) . ?
C7 C9 1.536(7) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C16 1.373(7) . ?
C11 C12 1.389(7) . ?
C12 C13 1.387(7) . ?
C12 H12A 0.9300 . ?
C13 C14 1.363(8) . ?
C13 H13A 0.9300 . ?
C14 C15 1.366(8) . ?
C14 H14A 0.9300 . ?
C15 C16 1.404(7) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 C22 1.376(8) . ?
C17 C18 1.380(8) . ?
C18 C19 1.384(8) . ?
C18 H18A 0.9300 . ?
C19 C20 1.380(10) . ?
C19 H19A 0.9300 . ?
C20 C21 1.372(10) . ?
C20 H20A 0.9300 . ?
C21 C22 1.392(8) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
Si2 C24 1.860(6) . ?
Si2 C23 1.877(5) . ?
Si2 C25 1.908(6) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C27 1.510(8) . ?
C25 C28 1.539(7) . ?
C25 C26 1.544(7) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
Ru1 C32 2.213(5) . ?
Ru1 C33 2.218(5) . ?
Ru1 C30 2.258(6) . ?
Ru1 C29 2.259(5) . ?
Ru1 C31 2.262(6) . ?
C29 C33 1.412(7) . ?
C29 C30 1.448(7) . ?
C29 C34 1.496(7) . ?
C30 C31 1.427(7) . ?
C30 C35 1.513(7) . ?
C31 C32 1.424(7) . ?
C31 C36 1.476(7) . ?
C32 C33 1.430(7) . ?
C32 C37 1.501(7) . ?
C33 C38 1.503(7) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?

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 Pb1 C1 74.90(17) . . ?
C4 Pb1 Cl1 111.52(13) . . ?
C1 Pb1 Cl1 112.24(13) . . ?
C4 Pb1 Ru1 43.86(12) . . ?
C1 Pb1 Ru1 43.21(13) . . ?
Cl1 Pb1 Ru1 93.95(4) . . ?
C2 C1 Si1 130.0(4) . . ?
C2 C1 Ru1 76.7(3) . . ?
Si1 C1 Ru1 139.3(3) . . ?
C2 C1 Pb1 100.1(3) . . ?
Si1 C1 Pb1 113.4(2) . . ?
Ru1 C1 Pb1 85.06(17) . . ?
C1 C2 C3 119.6(4) . . ?
C1 C2 C11 122.9(4) . . ?
C3 C2 C11 117.2(4) . . ?
C1 C2 Ru1 65.3(3) . . ?
C3 C2 Ru1 70.0(3) . . ?
C11 C2 Ru1 133.8(4) . . ?
C4 C3 C2 120.6(4) . . ?
C4 C3 C17 122.2(5) . . ?
C2 C3 C17 117.1(4) . . ?
C4 C3 Ru1 66.9(3) . . ?
C2 C3 Ru1 71.2(3) . . ?
C17 C3 Ru1 132.5(4) . . ?
C3 C4 Si2 129.5(4) . . ?
C3 C4 Ru1 75.1(3) . . ?
Si2 C4 Ru1 140.6(3) . . ?
C3 C4 Pb1 100.9(3) . . ?
Si2 C4 Pb1 113.7(2) . . ?
Ru1 C4 Pb1 84.87(17) . . ?
C5 Si1 C6 109.5(3) . . ?
C5 Si1 C1 108.7(2) . . ?
C6 Si1 C1 111.0(2) . . ?
C5 Si1 C7 105.3(3) . . ?
C6 Si1 C7 107.7(3) . . ?
C1 Si1 C7 114.5(2) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C10 C7 C8 108.8(5) . . ?
C10 C7 C9 107.6(5) . . ?
C8 C7 C9 107.4(5) . . ?
C10 C7 Si1 111.9(4) . . ?
C8 C7 Si1 113.8(4) . . ?
C9 C7 Si1 107.0(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 119.0(5) . . ?
C16 C11 C2 121.4(5) . . ?
C12 C11 C2 119.6(5) . . ?
C13 C12 C11 120.2(6) . . ?
C13 C12 H12A 119.9 . . ?
C11 C12 H12A 119.9 . . ?
C14 C13 C12 120.5(6) . . ?
C14 C13 H13A 119.7 . . ?
C12 C13 H13A 119.7 . . ?
C13 C14 C15 120.0(6) . . ?
C13 C14 H14A 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C14 C15 C16 120.1(6) . . ?
C14 C15 H15A 119.9 . . ?
C16 C15 H15A 119.9 . . ?
C11 C16 C15 120.1(6) . . ?
C11 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C22 C17 C18 119.5(5) . . ?
C22 C17 C3 120.6(5) . . ?
C18 C17 C3 120.0(5) . . ?
C17 C18 C19 120.3(7) . . ?
C17 C18 H18A 119.9 . . ?
C19 C18 H18A 119.9 . . ?
C20 C19 C18 119.8(7) . . ?
C20 C19 H19A 120.1 . . ?
C18 C19 H19A 120.1 . . ?
C21 C20 C19 120.5(7) . . ?
C21 C20 H20A 119.7 . . ?
C19 C20 H20A 119.7 . . ?
C20 C21 C22 119.3(7) . . ?
C20 C21 H21A 120.4 . . ?
C22 C21 H21A 120.4 . . ?
C17 C22 C21 120.7(7) . . ?
C17 C22 H22A 119.7 . . ?
C21 C22 H22A 119.7 . . ?
C24 Si2 C23 108.7(3) . . ?
C24 Si2 C4 109.4(2) . . ?
C23 Si2 C4 112.0(2) . . ?
C24 Si2 C25 106.2(3) . . ?
C23 Si2 C25 107.8(2) . . ?
C4 Si2 C25 112.5(2) . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C28 108.0(5) . . ?
C27 C25 C26 108.2(5) . . ?
C28 C25 C26 106.5(4) . . ?
C27 C25 Si2 113.5(4) . . ?
C28 C25 Si2 113.2(4) . . ?
C26 C25 Si2 107.0(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 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C1 Ru1 C4 87.4(2) . . ?
C1 Ru1 C3 71.08(19) . . ?
C4 Ru1 C3 37.96(18) . . ?
C1 Ru1 C32 141.4(2) . . ?
C4 Ru1 C32 108.9(2) . . ?
C3 Ru1 C32 141.0(2) . . ?
C1 Ru1 C33 109.6(2) . . ?
C4 Ru1 C33 140.29(19) . . ?
C3 Ru1 C33 178.3(2) . . ?
C32 Ru1 C33 37.65(18) . . ?
C1 Ru1 C2 38.05(18) . . ?
C4 Ru1 C2 70.60(19) . . ?
C3 Ru1 C2 38.87(18) . . ?
C32 Ru1 C2 179.0(2) . . ?
C33 Ru1 C2 142.42(19) . . ?
C1 Ru1 C30 130.8(2) . . ?
C4 Ru1 C30 131.9(2) . . ?
C3 Ru1 C30 119.08(19) . . ?
C32 Ru1 C30 61.9(2) . . ?
C33 Ru1 C30 61.8(2) . . ?
C2 Ru1 C30 119.01(19) . . ?
C1 Ru1 C29 104.8(2) . . ?
C4 Ru1 C29 167.7(2) . . ?
C3 Ru1 C29 144.88(19) . . ?
C32 Ru1 C29 62.3(2) . . ?
C33 Ru1 C29 36.75(18) . . ?
C2 Ru1 C29 118.34(19) . . ?
C30 Ru1 C29 37.41(19) . . ?
C1 Ru1 C31 166.61(19) . . ?
C4 Ru1 C31 105.7(2) . . ?
C3 Ru1 C31 117.6(2) . . ?
C32 Ru1 C31 37.10(19) . . ?
C33 Ru1 C31 62.1(2) . . ?
C2 Ru1 C31 143.7(2) . . ?
C30 Ru1 C31 36.81(19) . . ?
C29 Ru1 C31 62.1(2) . . ?
C1 Ru1 Pb1 51.73(13) . . ?
C4 Ru1 Pb1 51.27(14) . . ?
C3 Ru1 Pb1 67.17(13) . . ?
C32 Ru1 Pb1 112.03(14) . . ?
C33 Ru1 Pb1 111.87(14) . . ?
C2 Ru1 Pb1 67.01(13) . . ?
C30 Ru1 Pb1 173.39(14) . . ?
C29 Ru1 Pb1 138.51(14) . . ?
C31 Ru1 Pb1 139.75(14) . . ?
C33 C29 C30 107.0(5) . . ?
C33 C29 C34 128.2(5) . . ?
C30 C29 C34 124.2(5) . . ?
C33 C29 Ru1 70.1(3) . . ?
C30 C29 Ru1 71.3(3) . . ?
C34 C29 Ru1 130.3(4) . . ?
C31 C30 C29 108.3(5) . . ?
C31 C30 C35 125.6(5) . . ?
C29 C30 C35 125.0(5) . . ?
C31 C30 Ru1 71.7(3) . . ?
C29 C30 Ru1 71.3(3) . . ?
C35 C30 Ru1 131.9(4) . . ?
C32 C31 C30 107.6(5) . . ?
C32 C31 C36 126.2(5) . . ?
C30 C31 C36 125.9(5) . . ?
C32 C31 Ru1 69.6(3) . . ?
C30 C31 Ru1 71.5(3) . . ?
C36 C31 Ru1 129.2(4) . . ?
C31 C32 C33 108.1(5) . . ?
C31 C32 C37 127.6(5) . . ?
C33 C32 C37 123.3(5) . . ?
C31 C32 Ru1 73.3(3) . . ?
C33 C32 Ru1 71.4(3) . . ?
C37 C32 Ru1 130.2(4) . . ?
C29 C33 C32 109.0(5) . . ?
C29 C33 C38 127.9(5) . . ?
C32 C33 C38 122.4(5) . . ?
C29 C33 Ru1 73.2(3) . . ?
C32 C33 Ru1 71.0(3) . . ?
C38 C33 Ru1 129.4(4) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.84
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.650
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.134
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
####################################################################### 
# 
# 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_masa796i
_database_code_depnum_ccdc_archive 'CCDC 1507474'
_audit_update_record             
;
2016-09-30 deposited with the CCDC.
2017-02-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        IodoPlumboleRuthenocene
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H55 I Pb Ru Si2, C6 H14'
_chemical_formula_sum            'C44 H69 I Pb Ru Si2'
_chemical_formula_weight         1089.33

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'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'

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

_cell_length_a                   10.3930(5)
_cell_length_b                   22.3163(10)
_cell_length_c                   39.5129(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     9164.4(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6602
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      27.26

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4320
_exptl_absorpt_coefficient_mu    4.752
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.628
_exptl_absorpt_correction_T_max  0.867
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number            61813
_diffrn_reflns_av_R_equivalents  0.0876
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         1.83
_diffrn_reflns_theta_max         27.50
_reflns_number_total             10525
_reflns_number_gt                8138
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0350P)²+24.9284P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10525
_refine_ls_number_parameters     495
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0471
_refine_ls_wR_factor_ref         0.0987
_refine_ls_wR_factor_gt          0.0918
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.075
_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
Pb1 Pb 0.08169(2) 0.086739(10) 0.123362(6) 0.01600(7) Uani 1 1 d . . .
C1 C 0.2098(5) 0.1391(3) 0.08354(15) 0.0157(12) Uani 1 1 d . . .
C2 C 0.3190(5) 0.1532(2) 0.10309(14) 0.0145(12) Uani 1 1 d . . .
C3 C 0.3637(6) 0.1112(3) 0.12952(14) 0.0154(12) Uani 1 1 d . . .
C4 C 0.2967(5) 0.0576(3) 0.13540(14) 0.0141(12) Uani 1 1 d . . .
Si1 Si 0.11076(16) 0.18949(7) 0.05512(4) 0.0170(4) Uani 1 1 d . . .
C5 C 0.0201(7) 0.1440(3) 0.02370(16) 0.0263(15) Uani 1 1 d . . .
H5A H -0.0428 0.1687 0.0127 0.039 Uiso 1 1 calc R . .
H5B H -0.0224 0.1115 0.0351 0.039 Uiso 1 1 calc R . .
H5C H 0.0786 0.1283 0.0071 0.039 Uiso 1 1 calc R . .
C6 C 0.2148(6) 0.2439(3) 0.03139(16) 0.0205(14) Uani 1 1 d . . .
H6A H 0.2795 0.2223 0.0190 0.031 Uiso 1 1 calc R . .
H6B H 0.2555 0.2706 0.0471 0.031 Uiso 1 1 calc R . .
H6C H 0.1628 0.2665 0.0159 0.031 Uiso 1 1 calc R . .
C7 C -0.0148(6) 0.2349(3) 0.07978(16) 0.0219(14) Uani 1 1 d . . .
C8 C -0.1364(6) 0.1978(3) 0.0880(2) 0.0374(19) Uani 1 1 d . . .
H8A H -0.1981 0.2227 0.0994 0.056 Uiso 1 1 calc R . .
H8B H -0.1135 0.1648 0.1024 0.056 Uiso 1 1 calc R . .
H8C H -0.1731 0.1827 0.0674 0.056 Uiso 1 1 calc R . .
C9 C 0.0404(7) 0.2613(3) 0.11299(17) 0.0295(16) Uani 1 1 d . . .
H9A H 0.1169 0.2838 0.1081 0.044 Uiso 1 1 calc R . .
H9B H 0.0609 0.2293 0.1283 0.044 Uiso 1 1 calc R . .
H9C H -0.0224 0.2872 0.1232 0.044 Uiso 1 1 calc R . .
C10 C -0.0587(6) 0.2869(3) 0.05759(18) 0.0279(16) Uani 1 1 d . . .
H10A H -0.0849 0.2719 0.0359 0.042 Uiso 1 1 calc R . .
H10B H 0.0110 0.3147 0.0547 0.042 Uiso 1 1 calc R . .
H10C H -0.1299 0.3069 0.0682 0.042 Uiso 1 1 calc R . .
C11 C 0.4004(5) 0.2072(2) 0.09598(14) 0.0133(12) Uani 1 1 d . . .
C12 C 0.4890(6) 0.2080(3) 0.06977(16) 0.0208(14) Uani 1 1 d . . .
H12A H 0.5013 0.1737 0.0568 0.025 Uiso 1 1 calc R . .
C13 C 0.5596(6) 0.2591(3) 0.06272(16) 0.0218(14) Uani 1 1 d . . .
H13A H 0.6174 0.2590 0.0447 0.026 Uiso 1 1 calc R . .
C14 C 0.5453(6) 0.3103(3) 0.08198(17) 0.0243(14) Uani 1 1 d . . .
H14A H 0.5930 0.3445 0.0772 0.029 Uiso 1 1 calc R . .
C15 C 0.4580(6) 0.3096(3) 0.10872(16) 0.0198(13) Uani 1 1 d . . .
H15A H 0.4485 0.3436 0.1221 0.024 Uiso 1 1 calc R . .
C16 C 0.3858(6) 0.2594(3) 0.11552(16) 0.0181(13) Uani 1 1 d . . .
H16A H 0.3267 0.2600 0.1332 0.022 Uiso 1 1 calc R . .
C17 C 0.4860(6) 0.1263(3) 0.14800(15) 0.0171(13) Uani 1 1 d . . .
C18 C 0.4880(6) 0.1666(3) 0.17392(16) 0.0243(14) Uani 1 1 d . . .
H18A H 0.4130 0.1871 0.1795 0.029 Uiso 1 1 calc R . .
C19 C 0.5991(7) 0.1777(3) 0.19208(18) 0.0349(18) Uani 1 1 d . . .
H19A H 0.5983 0.2055 0.2096 0.042 Uiso 1 1 calc R . .
C20 C 0.7099(7) 0.1479(3) 0.18437(18) 0.0360(18) Uani 1 1 d . . .
H20A H 0.7843 0.1553 0.1968 0.043 Uiso 1 1 calc R . .
C21 C 0.7119(6) 0.1071(3) 0.15818(17) 0.0291(16) Uani 1 1 d . . .
H21A H 0.7877 0.0871 0.1527 0.035 Uiso 1 1 calc R . .
C22 C 0.5998(6) 0.0959(3) 0.14003(16) 0.0224(14) Uani 1 1 d . . .
H22A H 0.6005 0.0680 0.1225 0.027 Uiso 1 1 calc R . .
Si2 Si 0.30434(16) 0.00415(7) 0.17234(4) 0.0174(4) Uani 1 1 d . . .
C23 C 0.2319(7) -0.0687(3) 0.15997(17) 0.0298(16) Uani 1 1 d . . .
H23A H 0.1582 -0.0616 0.1458 0.045 Uiso 1 1 calc R . .
H23B H 0.2058 -0.0900 0.1799 0.045 Uiso 1 1 calc R . .
H23C H 0.2941 -0.0920 0.1478 0.045 Uiso 1 1 calc R . .
C24 C 0.4737(6) -0.0104(3) 0.18632(18) 0.0300(16) Uani 1 1 d . . .
H24A H 0.4748 -0.0432 0.2020 0.045 Uiso 1 1 calc R . .
H24B H 0.5075 0.0248 0.1971 0.045 Uiso 1 1 calc R . .
H24C H 0.5257 -0.0201 0.1670 0.045 Uiso 1 1 calc R . .
C25 C 0.2103(7) 0.0333(3) 0.21079(16) 0.0288(16) Uani 1 1 d . . .
C26 C 0.0653(7) 0.0273(5) 0.2078(2) 0.053(2) Uani 1 1 d . . .
H26A H 0.0261 0.0368 0.2292 0.080 Uiso 1 1 calc R . .
H26B H 0.0439 -0.0130 0.2016 0.080 Uiso 1 1 calc R . .
H26C H 0.0342 0.0544 0.1908 0.080 Uiso 1 1 calc R . .
C27 C 0.2505(8) -0.0052(4) 0.24155(17) 0.041(2) Uani 1 1 d . . .
H27A H 0.2018 0.0068 0.2611 0.062 Uiso 1 1 calc R . .
H27B H 0.3406 0.0004 0.2459 0.062 Uiso 1 1 calc R . .
H27C H 0.2341 -0.0466 0.2368 0.062 Uiso 1 1 calc R . .
C28 C 0.2452(11) 0.0976(4) 0.2187(2) 0.063(3) Uani 1 1 d . . .
H28A H 0.2156 0.1231 0.2008 0.094 Uiso 1 1 calc R . .
H28B H 0.3369 0.1011 0.2208 0.094 Uiso 1 1 calc R . .
H28C H 0.2053 0.1093 0.2396 0.094 Uiso 1 1 calc R . .
Ru1 Ru 0.32007(4) 0.06115(2) 0.082562(11) 0.01103(10) Uani 1 1 d . . .
C29 C 0.4873(6) 0.0360(2) 0.04992(14) 0.0148(12) Uani 1 1 d . . .
C30 C 0.4532(6) -0.0146(3) 0.06971(15) 0.0169(13) Uani 1 1 d . . .
C31 C 0.3233(6) -0.0308(2) 0.06174(14) 0.0154(12) Uani 1 1 d . . .
C32 C 0.2784(5) 0.0099(3) 0.03560(14) 0.0143(12) Uani 1 1 d . . .
C33 C 0.3812(5) 0.0501(3) 0.02837(14) 0.0151(12) Uani 1 1 d . . .
C34 C 0.6201(6) 0.0622(3) 0.04731(16) 0.0205(13) Uani 1 1 d . . .
H34A H 0.6257 0.0867 0.0274 0.031 Uiso 1 1 calc R . .
H34B H 0.6821 0.0304 0.0460 0.031 Uiso 1 1 calc R . .
H34C H 0.6372 0.0863 0.0669 0.031 Uiso 1 1 calc R . .
C35 C 0.5406(6) -0.0499(3) 0.09309(16) 0.0186(13) Uani 1 1 d . . .
H35A H 0.5772 -0.0830 0.0810 0.028 Uiso 1 1 calc R . .
H35B H 0.4916 -0.0646 0.1119 0.028 Uiso 1 1 calc R . .
H35C H 0.6082 -0.0243 0.1012 0.028 Uiso 1 1 calc R . .
C36 C 0.2538(6) -0.0868(3) 0.07100(16) 0.0216(13) Uani 1 1 d . . .
H36A H 0.2485 -0.1125 0.0516 0.032 Uiso 1 1 calc R . .
H36B H 0.1687 -0.0770 0.0786 0.032 Uiso 1 1 calc R . .
H36C H 0.2996 -0.1069 0.0888 0.032 Uiso 1 1 calc R . .
C37 C 0.1565(6) 0.0013(3) 0.01611(16) 0.0200(13) Uani 1 1 d . . .
H37A H 0.1496 0.0318 -0.0009 0.030 Uiso 1 1 calc R . .
H37B H 0.0844 0.0041 0.0312 0.030 Uiso 1 1 calc R . .
H37C H 0.1571 -0.0374 0.0056 0.030 Uiso 1 1 calc R . .
C38 C 0.3830(7) 0.0956(3) 0.00042(15) 0.0248(15) Uani 1 1 d . . .
H38A H 0.4365 0.1287 0.0069 0.037 Uiso 1 1 calc R . .
H38B H 0.2970 0.1095 -0.0037 0.037 Uiso 1 1 calc R . .
H38C H 0.4165 0.0775 -0.0198 0.037 Uiso 1 1 calc R . .
I1 I -0.07774(4) -0.009051(18) 0.095146(11) 0.02334(10) Uani 1 1 d . . .
C39 C 0.7623(10) 0.3547(5) 0.1582(2) 0.084(3) Uani 1 1 d D A .
H39A H 0.8500 0.3576 0.1656 0.126 Uiso 1 1 calc R . .
H39B H 0.7536 0.3736 0.1365 0.126 Uiso 1 1 calc R . .
H39C H 0.7383 0.3133 0.1564 0.126 Uiso 1 1 calc R . .
C40 C 0.6757(10) 0.3857(6) 0.1834(3) 0.094(4) Uani 1 1 d D . .
H40A H 0.7299 0.4154 0.1943 0.113 Uiso 0.556(17) 1 calc PR A 1
H40B H 0.6147 0.4081 0.1698 0.113 Uiso 0.556(17) 1 calc PR A 1
H40C H 0.5850 0.3834 0.1778 0.113 Uiso 0.444(17) 1 calc PR A 2
H40D H 0.7008 0.4267 0.1883 0.113 Uiso 0.444(17) 1 calc PR A 2
C41 C 0.5965(12) 0.3590(7) 0.2118(4) 0.050(5) Uani 0.556(17) 1 d PDU A 1
H41A H 0.5337 0.3311 0.2027 0.060 Uiso 0.556(17) 1 calc PR A 1
H41B H 0.5512 0.3902 0.2240 0.060 Uiso 0.556(17) 1 calc PR A 1
C42 C 0.6910(15) 0.3262(9) 0.2355(4) 0.039(5) Uani 0.556(17) 1 d PDU A 1
H42A H 0.7601 0.3529 0.2422 0.047 Uiso 0.556(17) 1 calc PR A 1
H42B H 0.7283 0.2919 0.2240 0.047 Uiso 0.556(17) 1 calc PR A 1
C43 C 0.6142(18) 0.3054(7) 0.2669(4) 0.060(5) Uani 0.556(17) 1 d PDU A 1
H43A H 0.5795 0.3404 0.2783 0.073 Uiso 0.556(17) 1 calc PR A 1
H43B H 0.5423 0.2811 0.2595 0.073 Uiso 0.556(17) 1 calc PR A 1
C44 C 0.695(3) 0.2692(11) 0.2924(5) 0.096(11) Uani 0.556(17) 1 d PDU A 1
H44A H 0.6413 0.2556 0.3106 0.143 Uiso 0.556(17) 1 calc PR A 1
H44B H 0.7626 0.2941 0.3013 0.143 Uiso 0.556(17) 1 calc PR A 1
H44C H 0.7326 0.2352 0.2812 0.143 Uiso 0.556(17) 1 calc PR A 1
C45 C 0.718(3) 0.3397(10) 0.2115(3) 0.135(13) Uani 0.444(17) 1 d PDU A 2
H45A H 0.7339 0.3029 0.1991 0.162 Uiso 0.444(17) 1 calc PR A 2
H45B H 0.8024 0.3538 0.2185 0.162 Uiso 0.444(17) 1 calc PR A 2
C46 C 0.655(3) 0.3182(18) 0.2448(7) 0.091(10) Uani 0.444(17) 1 d PDU A 2
H46A H 0.5790 0.2962 0.2379 0.109 Uiso 0.444(17) 1 calc PR A 2
H46B H 0.6239 0.3544 0.2557 0.109 Uiso 0.444(17) 1 calc PR A 2
C47 C 0.715(3) 0.2803(14) 0.2737(7) 0.098(10) Uani 0.444(17) 1 d PDU A 2
H47A H 0.7484 0.2428 0.2648 0.117 Uiso 0.444(17) 1 calc PR A 2
H47B H 0.7859 0.3020 0.2842 0.117 Uiso 0.444(17) 1 calc PR A 2
C48 C 0.607(4) 0.268(2) 0.2998(9) 0.146(17) Uani 0.444(17) 1 d PDU A 2
H48A H 0.6401 0.2440 0.3178 0.219 Uiso 0.444(17) 1 calc PR A 2
H48B H 0.5372 0.2480 0.2889 0.219 Uiso 0.444(17) 1 calc PR A 2
H48C H 0.5774 0.3058 0.3089 0.219 Uiso 0.444(17) 1 calc PR A 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
Pb1 C1 2.370(6) . ?
Pb1 C4 2.375(6) . ?
Pb1 I1 2.9254(5) . ?
Pb1 Ru1 3.0105(5) . ?
C1 C2 1.408(8) . ?
C1 Si1 1.893(6) . ?
C1 Ru1 2.084(6) . ?
C2 C3 1.479(8) . ?
C2 C11 1.498(8) . ?
C2 Ru1 2.209(5) . ?
C3 C4 1.403(8) . ?
C3 C17 1.505(8) . ?
C3 Ru1 2.212(6) . ?
C4 Si2 1.887(6) . ?
C4 Ru1 2.103(6) . ?
Si1 C5 1.860(6) . ?
Si1 C6 1.876(6) . ?
Si1 C7 1.918(7) . ?
C7 C10 1.524(8) . ?
C7 C8 1.547(9) . ?
C7 C9 1.548(9) . ?
C11 C12 1.386(8) . ?
C11 C16 1.407(8) . ?
C12 C13 1.385(8) . ?
C13 C14 1.379(9) . ?
C14 C15 1.392(9) . ?
C15 C16 1.375(8) . ?
C17 C18 1.363(8) . ?
C17 C22 1.400(8) . ?
C18 C19 1.382(9) . ?
C19 C20 1.364(10) . ?
C20 C21 1.380(10) . ?
C21 C22 1.390(8) . ?
Si2 C23 1.856(7) . ?
Si2 C24 1.873(6) . ?
Si2 C25 1.921(7) . ?
C25 C28 1.511(10) . ?
C25 C26 1.517(10) . ?
C25 C27 1.546(9) . ?
Ru1 C31 2.211(5) . ?
Ru1 C32 2.222(6) . ?
Ru1 C29 2.236(6) . ?
Ru1 C30 2.243(6) . ?
Ru1 C33 2.247(6) . ?
C29 C30 1.418(8) . ?
C29 C33 1.428(8) . ?
C29 C34 1.502(8) . ?
C30 C31 1.433(8) . ?
C30 C35 1.516(8) . ?
C31 C32 1.452(8) . ?
C31 C36 1.488(8) . ?
C32 C33 1.424(8) . ?
C32 C37 1.495(8) . ?
C33 C38 1.500(8) . ?
C39 C40 1.512(8) . ?
C40 C41 1.512(9) . ?
C40 C45 1.575(10) . ?
C41 C42 1.542(9) . ?
C42 C43 1.548(10) . ?
C43 C44 1.543(10) . ?
C45 C46 1.546(10) . ?
C46 C47 1.553(10) . ?
C47 C48 1.550(10) . ?

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 Pb1 C4 74.9(2) . . ?
C1 Pb1 I1 115.19(14) . . ?
C4 Pb1 I1 114.14(14) . . ?
C1 Pb1 Ru1 43.57(13) . . ?
C4 Pb1 Ru1 44.04(13) . . ?
I1 Pb1 Ru1 97.090(14) . . ?
C2 C1 Si1 129.1(4) . . ?
C2 C1 Ru1 75.7(3) . . ?
Si1 C1 Ru1 141.6(3) . . ?
C2 C1 Pb1 101.5(4) . . ?
Si1 C1 Pb1 112.4(3) . . ?
Ru1 C1 Pb1 84.8(2) . . ?
C1 C2 C3 119.9(5) . . ?
C1 C2 C11 122.1(5) . . ?
C3 C2 C11 117.7(5) . . ?
C1 C2 Ru1 66.1(3) . . ?
C3 C2 Ru1 70.6(3) . . ?
C11 C2 Ru1 132.5(4) . . ?
C4 C3 C2 120.1(5) . . ?
C4 C3 C17 122.1(5) . . ?
C2 C3 C17 117.7(5) . . ?
C4 C3 Ru1 66.9(3) . . ?
C2 C3 Ru1 70.3(3) . . ?
C17 C3 Ru1 133.9(4) . . ?
C3 C4 Si2 130.2(4) . . ?
C3 C4 Ru1 75.3(3) . . ?
Si2 C4 Ru1 141.9(3) . . ?
C3 C4 Pb1 101.6(4) . . ?
Si2 C4 Pb1 111.6(3) . . ?
Ru1 C4 Pb1 84.25(19) . . ?
C5 Si1 C6 108.2(3) . . ?
C5 Si1 C1 110.3(3) . . ?
C6 Si1 C1 111.5(3) . . ?
C5 Si1 C7 106.4(3) . . ?
C6 Si1 C7 107.7(3) . . ?
C1 Si1 C7 112.5(3) . . ?
C10 C7 C8 106.5(5) . . ?
C10 C7 C9 108.0(5) . . ?
C8 C7 C9 109.2(6) . . ?
C10 C7 Si1 108.3(5) . . ?
C8 C7 Si1 112.3(5) . . ?
C9 C7 Si1 112.3(4) . . ?
C12 C11 C16 118.1(5) . . ?
C12 C11 C2 121.7(5) . . ?
C16 C11 C2 120.2(5) . . ?
C13 C12 C11 120.9(6) . . ?
C14 C13 C12 120.9(6) . . ?
C13 C14 C15 118.7(6) . . ?
C16 C15 C14 120.8(6) . . ?
C15 C16 C11 120.6(6) . . ?
C18 C17 C22 118.5(6) . . ?
C18 C17 C3 121.7(6) . . ?
C22 C17 C3 119.7(5) . . ?
C17 C18 C19 121.4(6) . . ?
C20 C19 C18 120.2(7) . . ?
C19 C20 C21 120.1(6) . . ?
C20 C21 C22 119.6(6) . . ?
C21 C22 C17 120.3(6) . . ?
C23 Si2 C24 107.9(3) . . ?
C23 Si2 C4 109.4(3) . . ?
C24 Si2 C4 112.2(3) . . ?
C23 Si2 C25 107.4(3) . . ?
C24 Si2 C25 107.7(3) . . ?
C4 Si2 C25 112.1(3) . . ?
C28 C25 C26 109.8(7) . . ?
C28 C25 C27 107.4(6) . . ?
C26 C25 C27 106.3(6) . . ?
C28 C25 Si2 111.3(5) . . ?
C26 C25 Si2 114.4(5) . . ?
C27 C25 Si2 107.2(5) . . ?
C1 Ru1 C4 87.1(2) . . ?
C1 Ru1 C2 38.2(2) . . ?
C4 Ru1 C2 70.7(2) . . ?
C1 Ru1 C31 142.2(2) . . ?
C4 Ru1 C31 109.6(2) . . ?
C2 Ru1 C31 179.3(2) . . ?
C1 Ru1 C3 71.1(2) . . ?
C4 Ru1 C3 37.8(2) . . ?
C2 Ru1 C3 39.1(2) . . ?
C31 Ru1 C3 141.0(2) . . ?
C1 Ru1 C32 109.8(2) . . ?
C4 Ru1 C32 141.9(2) . . ?
C2 Ru1 C32 141.7(2) . . ?
C31 Ru1 C32 38.2(2) . . ?
C3 Ru1 C32 179.2(2) . . ?
C1 Ru1 C29 130.4(2) . . ?
C4 Ru1 C29 130.8(2) . . ?
C2 Ru1 C29 116.7(2) . . ?
C31 Ru1 C29 62.6(2) . . ?
C3 Ru1 C29 116.8(2) . . ?
C32 Ru1 C29 62.7(2) . . ?
C1 Ru1 C30 166.6(2) . . ?
C4 Ru1 C30 105.5(2) . . ?
C2 Ru1 C30 141.9(2) . . ?
C31 Ru1 C30 37.5(2) . . ?
C3 Ru1 C30 116.3(2) . . ?
C32 Ru1 C30 62.8(2) . . ?
C29 Ru1 C30 36.9(2) . . ?
C1 Ru1 C33 105.4(2) . . ?
C4 Ru1 C33 167.0(2) . . ?
C2 Ru1 C33 117.0(2) . . ?
C31 Ru1 C33 62.6(2) . . ?
C3 Ru1 C33 142.8(2) . . ?
C32 Ru1 C33 37.2(2) . . ?
C29 Ru1 C33 37.1(2) . . ?
C30 Ru1 C33 61.8(2) . . ?
C1 Ru1 Pb1 51.62(16) . . ?
C4 Ru1 Pb1 51.72(15) . . ?
C2 Ru1 Pb1 67.84(14) . . ?
C31 Ru1 Pb1 112.82(15) . . ?
C3 Ru1 Pb1 67.90(15) . . ?
C32 Ru1 Pb1 112.60(14) . . ?
C29 Ru1 Pb1 175.02(15) . . ?
C30 Ru1 Pb1 140.53(16) . . ?
C33 Ru1 Pb1 139.81(15) . . ?
C30 C29 C33 108.1(5) . . ?
C30 C29 C34 125.3(5) . . ?
C33 C29 C34 125.6(5) . . ?
C30 C29 Ru1 71.8(3) . . ?
C33 C29 Ru1 71.8(3) . . ?
C34 C29 Ru1 131.0(4) . . ?
C29 C30 C31 108.4(5) . . ?
C29 C30 C35 126.9(5) . . ?
C31 C30 C35 124.6(5) . . ?
C29 C30 Ru1 71.3(3) . . ?
C31 C30 Ru1 70.0(3) . . ?
C35 C30 Ru1 128.5(4) . . ?
C30 C31 C32 107.5(5) . . ?
C30 C31 C36 127.9(5) . . ?
C32 C31 C36 122.9(5) . . ?
C30 C31 Ru1 72.4(3) . . ?
C32 C31 Ru1 71.3(3) . . ?
C36 C31 Ru1 132.8(4) . . ?
C33 C32 C31 107.2(5) . . ?
C33 C32 C37 127.8(5) . . ?
C31 C32 C37 124.0(5) . . ?
C33 C32 Ru1 72.4(3) . . ?
C31 C32 Ru1 70.5(3) . . ?
C37 C32 Ru1 131.4(4) . . ?
C32 C33 C29 108.7(5) . . ?
C32 C33 C38 125.6(5) . . ?
C29 C33 C38 125.4(5) . . ?
C32 C33 Ru1 70.5(3) . . ?
C29 C33 Ru1 71.0(3) . . ?
C38 C33 Ru1 129.1(4) . . ?
C41 C40 C39 129.1(12) . . ?
C41 C40 C45 51.2(12) . . ?
C39 C40 C45 89.9(7) . . ?
C40 C41 C42 106.9(10) . . ?
C41 C42 C43 107.5(11) . . ?
C44 C43 C42 113.5(16) . . ?
C46 C45 C40 133(2) . . ?
C45 C46 C47 128(2) . . ?
C48 C47 C46 107(2) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.475
_refine_diff_density_min         -1.039
_refine_diff_density_rms         0.167
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
####################################################################### 
# 
# 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_ma847
_database_code_depnum_ccdc_archive 'CCDC 1511941'
_audit_update_record             
;
2016-10-27 deposited with the CCDC.
2017-02-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40.55 H59.95 Cl0.15 Pb Ru Si2'
_chemical_formula_sum            'C40.55 H59.95 Cl0.15 Pb Ru Si2'
_chemical_formula_weight         917.20

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'
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'
Pb Pb -3.3944 10.1111 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   16.7796(15)
_cell_length_b                   11.2019(11)
_cell_length_c                   21.597(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.9100(10)
_cell_angle_gamma                90.00
_cell_volume                     4010.5(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    8282
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      28.54

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1839.2
_exptl_absorpt_coefficient_mu    4.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.409
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_process_details   'XPREP; Bruker AXS 2008'

_exptl_special_details           
; 
'SADABS-2008/1 - Bruker AXS 2008'
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18831
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.23
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7045
_reflns_number_gt                6234
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2 (Bruker 2008)'
_computing_cell_refinement       'Bruker SAINT (Bruker 2008)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics    'XSHEL (Bruker, 2002)'
_computing_publication_material  'XCIF (Bruker, 2001)'

_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)+(0.0243P)²+1.2386P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7046
_refine_ls_number_parameters     432
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0230
_refine_ls_wR_factor_ref         0.0518
_refine_ls_wR_factor_gt          0.0499
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_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 0.813649(15) 0.17468(2) 0.411199(12) 0.01429(7) Uani 1 1 d . A .
Pb1 Pb 0.734505(7) 0.200259(12) 0.279147(6) 0.02086(5) Uani 1 1 d . . .
C1 C 0.68856(19) 0.1515(3) 0.37176(15) 0.0182(7) Uani 1 1 d . A .
C2 C 0.69373(18) 0.2571(3) 0.40862(15) 0.0184(7) Uani 1 1 d . . .
C3 C 0.75287(18) 0.3492(3) 0.39942(14) 0.0162(7) Uani 1 1 d . A .
C4 C 0.80559(19) 0.3306(3) 0.35422(15) 0.0164(7) Uani 1 1 d . A .
C5 C 0.7979(7) 0.0460(13) 0.2340(6) 0.026(2) Uani 0.85 1 d P A 2
H62 H 0.8254 -0.0056 0.2672 0.032 Uiso 0.85 1 calc PR A 2
Si1 Si 0.60978(6) 0.03083(9) 0.36810(5) 0.0228(2) Uani 1 1 d . . .
C8 C 0.5732(2) 0.0072(3) 0.44460(17) 0.0344(9) Uani 1 1 d . A .
H8 H 0.5436 -0.0664 0.4432 0.052 Uiso 1 1 calc R . .
H9 H 0.5386 0.0721 0.4522 0.052 Uiso 1 1 calc R . .
H10 H 0.6185 0.0036 0.4777 0.052 Uiso 1 1 calc R . .
C9 C 0.6531(2) -0.1149(3) 0.34731(17) 0.0310(9) Uani 1 1 d . A .
H11 H 0.6871 -0.1020 0.3161 0.046 Uiso 1 1 calc R . .
H12 H 0.6101 -0.1683 0.3312 0.046 Uiso 1 1 calc R . .
H13 H 0.6843 -0.1492 0.3840 0.046 Uiso 1 1 calc R . .
C10 C 0.5168(2) 0.0596(3) 0.30570(19) 0.0350(10) Uani 1 1 d . A .
C11 C 0.4825(2) 0.1852(4) 0.3099(2) 0.0512(13) Uani 1 1 d . . .
H14 H 0.5216 0.2429 0.3012 0.077 Uiso 1 1 calc R A .
H15 H 0.4701 0.1982 0.3513 0.077 Uiso 1 1 calc R . .
H16 H 0.4343 0.1934 0.2799 0.077 Uiso 1 1 calc R . .
C12 C 0.4519(2) -0.0328(4) 0.3175(2) 0.0504(12) Uani 1 1 d . . .
H17 H 0.4355 -0.0174 0.3574 0.076 Uiso 1 1 calc R A .
H18 H 0.4741 -0.1118 0.3173 0.076 Uiso 1 1 calc R . .
H19 H 0.4061 -0.0264 0.2850 0.076 Uiso 1 1 calc R . .
C13 C 0.5334(3) 0.0398(4) 0.23897(19) 0.0499(12) Uani 1 1 d . . .
H20 H 0.4844 0.0502 0.2100 0.075 Uiso 1 1 calc R A .
H21 H 0.5535 -0.0397 0.2352 0.075 Uiso 1 1 calc R . .
H22 H 0.5729 0.0964 0.2297 0.075 Uiso 1 1 calc R . .
C14 C 0.64347(19) 0.2773(3) 0.45964(16) 0.0222(8) Uani 1 1 d . A .
C15 C 0.6704(2) 0.2458(3) 0.52153(17) 0.0308(9) Uani 1 1 d . . .
H23 H 0.7212 0.2118 0.5323 0.037 Uiso 1 1 calc R A .
C16 C 0.6227(3) 0.2644(4) 0.56719(19) 0.0405(10) Uani 1 1 d . A .
H24 H 0.6420 0.2421 0.6083 0.049 Uiso 1 1 calc R . .
C17 C 0.5474(3) 0.3150(4) 0.5534(2) 0.0463(12) Uani 1 1 d . . .
C18 C 0.5206(2) 0.3484(4) 0.4922(2) 0.0459(12) Uani 1 1 d . A .
H25 H 0.4700 0.3833 0.4821 0.055 Uiso 1 1 calc R . .
C19 C 0.5675(2) 0.3311(3) 0.4457(2) 0.0330(9) Uani 1 1 d . . .
H26 H 0.5484 0.3554 0.4049 0.040 Uiso 1 1 calc R A .
C20 C 0.75699(18) 0.4558(3) 0.44207(15) 0.0167(7) Uani 1 1 d . . .
C21 C 0.8186(2) 0.4686(3) 0.49241(16) 0.0259(8) Uani 1 1 d . A .
H27 H 0.8604 0.4132 0.4980 0.031 Uiso 1 1 calc R . .
C22 C 0.8195(2) 0.5615(3) 0.53440(16) 0.0329(9) Uani 1 1 d . . .
H28 H 0.8611 0.5679 0.5681 0.039 Uiso 1 1 calc R A .
C23 C 0.7582(3) 0.6450(3) 0.52614(18) 0.0364(10) Uani 1 1 d . A .
H29 H 0.7580 0.7070 0.5547 0.044 Uiso 1 1 calc R . .
C24 C 0.6975(2) 0.6362(3) 0.47553(18) 0.0328(9) Uani 1 1 d . . .
H30 H 0.6570 0.6935 0.4694 0.039 Uiso 1 1 calc R A .
C25 C 0.6968(2) 0.5424(3) 0.43394(16) 0.0239(8) Uani 1 1 d . A .
H31 H 0.6555 0.5371 0.4000 0.029 Uiso 1 1 calc R . .
Si2 Si 0.87282(5) 0.44385(8) 0.32435(4) 0.0181(2) Uani 1 1 d . . .
C26 C 0.9288(2) 0.5412(3) 0.38738(16) 0.0269(8) Uani 1 1 d . A .
H32 H 0.8917 0.5957 0.4022 0.040 Uiso 1 1 calc R . .
H33 H 0.9696 0.5855 0.3707 0.040 Uiso 1 1 calc R . .
H34 H 0.9536 0.4923 0.4215 0.040 Uiso 1 1 calc R . .
C27 C 0.9513(2) 0.3675(3) 0.28543(18) 0.0317(9) Uani 1 1 d . A .
H35 H 0.9877 0.3244 0.3162 0.048 Uiso 1 1 calc R . .
H36 H 0.9809 0.4261 0.2658 0.048 Uiso 1 1 calc R . .
H37 H 0.9256 0.3129 0.2543 0.048 Uiso 1 1 calc R . .
C28 C 0.8161(2) 0.5506(3) 0.26373(15) 0.0224(8) Uani 1 1 d . A .
C29 C 0.74235(19) 0.6044(3) 0.28717(16) 0.0308(9) Uani 1 1 d . . .
H38 H 0.7590 0.6434 0.3266 0.046 Uiso 1 1 calc R A .
H39 H 0.7047 0.5421 0.2924 0.046 Uiso 1 1 calc R . .
H40 H 0.7172 0.6615 0.2572 0.046 Uiso 1 1 calc R . .
C30 C 0.8730(2) 0.6534(3) 0.25236(18) 0.0343(9) Uani 1 1 d . . .
H41 H 0.8468 0.7034 0.2192 0.051 Uiso 1 1 calc R A .
H42 H 0.9216 0.6212 0.2407 0.051 Uiso 1 1 calc R . .
H43 H 0.8859 0.6996 0.2900 0.051 Uiso 1 1 calc R . .
C31 C 0.7878(2) 0.4895(4) 0.20034(16) 0.0358(10) Uani 1 1 d . . .
H44 H 0.7609 0.5467 0.1713 0.054 Uiso 1 1 calc R A .
H45 H 0.7513 0.4258 0.2059 0.054 Uiso 1 1 calc R . .
H46 H 0.8336 0.4577 0.1842 0.054 Uiso 1 1 calc R . .
C32 C 0.87206(19) -0.0029(3) 0.42730(15) 0.0202(7) Uani 1 1 d . . .
C33 C 0.84725(19) 0.0339(3) 0.48445(15) 0.0206(7) Uani 1 1 d . A .
C34 C 0.88990(19) 0.1407(3) 0.50535(15) 0.0188(7) Uani 1 1 d . . .
C35 C 0.94158(19) 0.1693(3) 0.46068(15) 0.0204(8) Uani 1 1 d . A .
C36 C 0.93008(18) 0.0817(3) 0.41239(15) 0.0196(7) Uani 1 1 d . A .
C37 C 0.8566(2) -0.1214(3) 0.39557(17) 0.0294(9) Uani 1 1 d . A .
H47 H 0.9061 -0.1657 0.3993 0.044 Uiso 1 1 calc R . .
H48 H 0.8359 -0.1093 0.3521 0.044 Uiso 1 1 calc R . .
H49 H 0.8180 -0.1652 0.4150 0.044 Uiso 1 1 calc R . .
C38 C 0.7945(2) -0.0361(3) 0.52156(16) 0.0280(8) Uani 1 1 d . . .
H50 H 0.8276 -0.0848 0.5518 0.042 Uiso 1 1 calc R A .
H51 H 0.7587 -0.0861 0.4938 0.042 Uiso 1 1 calc R . .
H52 H 0.7634 0.0180 0.5427 0.042 Uiso 1 1 calc R . .
C39 C 0.8916(2) 0.1992(3) 0.56755(15) 0.0265(8) Uani 1 1 d . A .
H53 H 0.9358 0.1679 0.5966 0.040 Uiso 1 1 calc R . .
H54 H 0.8419 0.1835 0.5829 0.040 Uiso 1 1 calc R . .
H55 H 0.8982 0.2837 0.5633 0.040 Uiso 1 1 calc R . .
C40 C 1.0060(2) 0.2640(3) 0.46737(17) 0.0274(8) Uani 1 1 d . . .
H56 H 1.0568 0.2295 0.4853 0.041 Uiso 1 1 calc R A .
H57 H 0.9921 0.3265 0.4942 0.041 Uiso 1 1 calc R . .
H58 H 1.0103 0.2965 0.4269 0.041 Uiso 1 1 calc R . .
C41 C 0.9806(2) 0.0665(3) 0.36157(16) 0.0311(9) Uani 1 1 d . . .
H59 H 0.9930 0.1434 0.3460 0.047 Uiso 1 1 calc R A .
H60 H 0.9515 0.0202 0.3281 0.047 Uiso 1 1 calc R . .
H61 H 1.0298 0.0261 0.3781 0.047 Uiso 1 1 calc R . .
Cl1 Cl 0.8209(12) 0.054(2) 0.2215(9) 0.045(5) Uani 0.15 1 d P A 1
C6 C 0.7352(3) -0.0270(4) 0.1920(2) 0.0366(11) Uani 0.85 1 d P A 2
H63 H 0.7080 0.0229 0.1592 0.055 Uiso 0.85 1 calc PR A 2
H64 H 0.6966 -0.0582 0.2163 0.055 Uiso 0.85 1 calc PR A 2
H65 H 0.7612 -0.0918 0.1739 0.055 Uiso 0.85 1 calc PR A 2
C7 C 0.8594(3) 0.0943(5) 0.1957(2) 0.0399(14) Uani 0.85 1 d P A 2
H66 H 0.8804 0.0299 0.1737 0.060 Uiso 0.85 1 calc PR A 2
H67 H 0.9028 0.1317 0.2232 0.060 Uiso 0.85 1 calc PR A 2
H68 H 0.8341 0.1519 0.1661 0.060 Uiso 0.85 1 calc PR A 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 C4 2.128(3) . ?
Ru1 C1 2.155(3) . ?
Ru1 C3 2.201(3) . ?
Ru1 C2 2.207(3) . ?
Ru1 C36 2.211(3) . ?
Ru1 C32 2.221(3) . ?
Ru1 C33 2.243(3) . ?
Ru1 C35 2.246(3) . ?
Ru1 C34 2.261(3) . ?
Ru1 Pb1 2.9675(4) . ?
Pb1 C1 2.317(3) . ?
Pb1 C5 2.322(12) . ?
Pb1 C4 2.363(3) . ?
Pb1 Cl1 2.622(18) . ?
C1 C2 1.421(5) . ?
C1 Si1 1.884(3) . ?
C2 C3 1.466(4) . ?
C2 C14 1.505(4) . ?
C3 C4 1.431(4) . ?
C3 C20 1.503(4) . ?
C4 Si2 1.877(3) . ?
C5 C6 1.517(16) . ?
C5 C7 1.519(8) . ?
Si1 C8 1.869(4) . ?
Si1 C9 1.870(4) . ?
Si1 C10 1.925(4) . ?
C10 C13 1.526(6) . ?
C10 C11 1.527(5) . ?
C10 C12 1.551(5) . ?
C14 C15 1.389(5) . ?
C14 C19 1.400(5) . ?
C15 C16 1.378(5) . ?
C16 C17 1.376(6) . ?
C17 C18 1.380(6) . ?
C18 C19 1.381(5) . ?
C20 C21 1.387(5) . ?
C20 C25 1.391(4) . ?
C21 C22 1.379(5) . ?
C22 C23 1.380(5) . ?
C23 C24 1.377(5) . ?
C24 C25 1.381(5) . ?
Si2 C27 1.876(3) . ?
Si2 C26 1.879(3) . ?
Si2 C28 1.914(3) . ?
C28 C29 1.532(4) . ?
C28 C31 1.539(5) . ?
C28 C30 1.539(5) . ?
C32 C33 1.423(4) . ?
C32 C36 1.430(5) . ?
C32 C37 1.498(5) . ?
C33 C34 1.431(5) . ?
C33 C38 1.504(4) . ?
C34 C35 1.430(4) . ?
C34 C39 1.491(5) . ?
C35 C36 1.423(4) . ?
C35 C40 1.506(5) . ?
C36 C41 1.497(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
C4 Ru1 C1 84.23(12) . . ?
C4 Ru1 C3 38.54(11) . . ?
C1 Ru1 C3 69.88(12) . . ?
C4 Ru1 C2 70.49(12) . . ?
C1 Ru1 C2 38.00(12) . . ?
C3 Ru1 C2 38.85(11) . . ?
C4 Ru1 C36 111.73(12) . . ?
C1 Ru1 C36 138.83(12) . . ?
C3 Ru1 C36 144.34(12) . . ?
C2 Ru1 C36 176.55(13) . . ?
C4 Ru1 C32 144.31(12) . . ?
C1 Ru1 C32 109.46(12) . . ?
C3 Ru1 C32 177.14(12) . . ?
C2 Ru1 C32 139.23(12) . . ?
C36 Ru1 C32 37.66(12) . . ?
C4 Ru1 C33 166.19(12) . . ?
C1 Ru1 C33 108.49(12) . . ?
C3 Ru1 C33 140.11(12) . . ?
C2 Ru1 C33 116.15(12) . . ?
C36 Ru1 C33 62.31(12) . . ?
C32 Ru1 C33 37.18(11) . . ?
C4 Ru1 C35 105.53(12) . . ?
C1 Ru1 C35 170.23(12) . . ?
C3 Ru1 C35 118.07(12) . . ?
C2 Ru1 C35 145.48(12) . . ?
C36 Ru1 C35 37.23(12) . . ?
C32 Ru1 C35 62.30(12) . . ?
C33 Ru1 C35 61.84(12) . . ?
C4 Ru1 C34 129.40(12) . . ?
C1 Ru1 C34 135.73(12) . . ?
C3 Ru1 C34 116.17(12) . . ?
C2 Ru1 C34 118.69(12) . . ?
C36 Ru1 C34 62.23(11) . . ?
C32 Ru1 C34 62.20(12) . . ?
C33 Ru1 C34 37.04(11) . . ?
C35 Ru1 C34 37.00(11) . . ?
C4 Ru1 Pb1 52.14(8) . . ?
C1 Ru1 Pb1 50.82(8) . . ?
C3 Ru1 Pb1 70.91(8) . . ?
C2 Ru1 Pb1 70.41(8) . . ?
C36 Ru1 Pb1 108.65(8) . . ?
C32 Ru1 Pb1 110.97(8) . . ?
C33 Ru1 Pb1 140.52(8) . . ?
C35 Ru1 Pb1 135.43(9) . . ?
C34 Ru1 Pb1 170.88(8) . . ?
C1 Pb1 C5 115.0(3) . . ?
C1 Pb1 C4 75.73(11) . . ?
C5 Pb1 C4 122.2(4) . . ?
C1 Pb1 Cl1 123.0(5) . . ?
C5 Pb1 Cl1 9.6(7) . . ?
C4 Pb1 Cl1 116.9(5) . . ?
C1 Pb1 Ru1 46.13(8) . . ?
C5 Pb1 Ru1 99.6(4) . . ?
C4 Pb1 Ru1 45.33(8) . . ?
Cl1 Pb1 Ru1 101.4(5) . . ?
C2 C1 Si1 127.0(2) . . ?
C2 C1 Ru1 72.97(18) . . ?
Si1 C1 Ru1 137.49(17) . . ?
C2 C1 Pb1 106.7(2) . . ?
Si1 C1 Pb1 117.26(15) . . ?
Ru1 C1 Pb1 83.05(10) . . ?
C1 C2 C3 119.6(3) . . ?
C1 C2 C14 122.9(3) . . ?
C3 C2 C14 117.5(3) . . ?
C1 C2 Ru1 69.03(17) . . ?
C3 C2 Ru1 70.38(17) . . ?
C14 C2 Ru1 131.0(2) . . ?
C4 C3 C2 119.5(3) . . ?
C4 C3 C20 124.0(3) . . ?
C2 C3 C20 116.4(3) . . ?
C4 C3 Ru1 67.97(17) . . ?
C2 C3 Ru1 70.77(17) . . ?
C20 C3 Ru1 131.2(2) . . ?
C3 C4 Si2 127.1(2) . . ?
C3 C4 Ru1 73.49(18) . . ?
Si2 C4 Ru1 139.95(17) . . ?
C3 C4 Pb1 105.0(2) . . ?
Si2 C4 Pb1 116.62(15) . . ?
Ru1 C4 Pb1 82.53(10) . . ?
C6 C5 C7 109.5(9) . . ?
C6 C5 Pb1 109.4(6) . . ?
C7 C5 Pb1 110.9(9) . . ?
C8 Si1 C9 106.36(17) . . ?
C8 Si1 C1 112.91(16) . . ?
C9 Si1 C1 109.89(15) . . ?
C8 Si1 C10 107.51(17) . . ?
C9 Si1 C10 106.35(17) . . ?
C1 Si1 C10 113.37(15) . . ?
C13 C10 C11 108.5(4) . . ?
C13 C10 C12 107.0(3) . . ?
C11 C10 C12 109.0(3) . . ?
C13 C10 Si1 112.9(3) . . ?
C11 C10 Si1 112.6(3) . . ?
C12 C10 Si1 106.7(3) . . ?
C15 C14 C19 117.8(3) . . ?
C15 C14 C2 122.0(3) . . ?
C19 C14 C2 120.2(3) . . ?
C16 C15 C14 120.8(4) . . ?
C17 C16 C15 121.6(4) . . ?
C16 C17 C18 118.1(4) . . ?
C17 C18 C19 121.4(4) . . ?
C18 C19 C14 120.4(4) . . ?
C21 C20 C25 117.7(3) . . ?
C21 C20 C3 121.4(3) . . ?
C25 C20 C3 120.9(3) . . ?
C22 C21 C20 121.6(3) . . ?
C21 C22 C23 119.6(4) . . ?
C24 C23 C22 119.9(4) . . ?
C23 C24 C25 120.1(4) . . ?
C24 C25 C20 121.0(3) . . ?
C27 Si2 C4 110.30(15) . . ?
C27 Si2 C26 106.41(16) . . ?
C4 Si2 C26 113.77(15) . . ?
C27 Si2 C28 106.71(16) . . ?
C4 Si2 C28 113.33(14) . . ?
C26 Si2 C28 105.82(16) . . ?
C29 C28 C31 108.4(3) . . ?
C29 C28 C30 108.1(3) . . ?
C31 C28 C30 107.7(3) . . ?
C29 C28 Si2 111.2(2) . . ?
C31 C28 Si2 112.5(2) . . ?
C30 C28 Si2 108.8(2) . . ?
C33 C32 C36 107.7(3) . . ?
C33 C32 C37 126.9(3) . . ?
C36 C32 C37 124.0(3) . . ?
C33 C32 Ru1 72.26(18) . . ?
C36 C32 Ru1 70.78(18) . . ?
C37 C32 Ru1 132.9(2) . . ?
C32 C33 C34 108.4(3) . . ?
C32 C33 C38 126.0(3) . . ?
C34 C33 C38 125.1(3) . . ?
C32 C33 Ru1 70.56(18) . . ?
C34 C33 Ru1 72.15(18) . . ?
C38 C33 Ru1 129.6(2) . . ?
C35 C34 C33 107.5(3) . . ?
C35 C34 C39 125.5(3) . . ?
C33 C34 C39 126.2(3) . . ?
C35 C34 Ru1 70.93(17) . . ?
C33 C34 Ru1 70.82(18) . . ?
C39 C34 Ru1 131.7(2) . . ?
C36 C35 C34 108.2(3) . . ?
C36 C35 C40 124.8(3) . . ?
C34 C35 C40 126.5(3) . . ?
C36 C35 Ru1 70.05(17) . . ?
C34 C35 Ru1 72.08(18) . . ?
C40 C35 Ru1 130.2(2) . . ?
C35 C36 C32 108.2(3) . . ?
C35 C36 C41 126.0(3) . . ?
C32 C36 C41 124.9(3) . . ?
C35 C36 Ru1 72.72(18) . . ?
C32 C36 Ru1 71.56(17) . . ?
C41 C36 Ru1 130.2(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
C4 Ru1 Pb1 C1 -117.99(16) . . . . ?
C3 Ru1 Pb1 C1 -79.19(14) . . . . ?
C2 Ru1 Pb1 C1 -37.92(14) . . . . ?
C36 Ru1 Pb1 C1 138.56(15) . . . . ?
C32 Ru1 Pb1 C1 98.51(15) . . . . ?
C33 Ru1 Pb1 C1 69.76(17) . . . . ?
C35 Ru1 Pb1 C1 169.83(17) . . . . ?
C34 Ru1 Pb1 C1 138.7(5) . . . . ?
C4 Ru1 Pb1 C5 126.4(3) . . . . ?
C1 Ru1 Pb1 C5 -115.6(3) . . . . ?
C3 Ru1 Pb1 C5 165.2(3) . . . . ?
C2 Ru1 Pb1 C5 -153.5(3) . . . . ?
C36 Ru1 Pb1 C5 23.0(3) . . . . ?
C32 Ru1 Pb1 C5 -17.1(3) . . . . ?
C33 Ru1 Pb1 C5 -45.8(3) . . . . ?
C35 Ru1 Pb1 C5 54.2(3) . . . . ?
C34 Ru1 Pb1 C5 23.1(6) . . . . ?
C1 Ru1 Pb1 C4 117.99(16) . . . . ?
C3 Ru1 Pb1 C4 38.80(13) . . . . ?
C2 Ru1 Pb1 C4 80.08(14) . . . . ?
C36 Ru1 Pb1 C4 -103.44(14) . . . . ?
C32 Ru1 Pb1 C4 -143.50(14) . . . . ?
C33 Ru1 Pb1 C4 -172.24(17) . . . . ?
C35 Ru1 Pb1 C4 -72.18(16) . . . . ?
C34 Ru1 Pb1 C4 -103.3(5) . . . . ?
C4 Ru1 Pb1 Cl1 116.8(5) . . . . ?
C1 Ru1 Pb1 Cl1 -125.2(5) . . . . ?
C3 Ru1 Pb1 Cl1 155.6(5) . . . . ?
C2 Ru1 Pb1 Cl1 -163.2(5) . . . . ?
C36 Ru1 Pb1 Cl1 13.3(5) . . . . ?
C32 Ru1 Pb1 Cl1 -26.7(5) . . . . ?
C33 Ru1 Pb1 Cl1 -55.5(5) . . . . ?
C35 Ru1 Pb1 Cl1 44.6(5) . . . . ?
C34 Ru1 Pb1 Cl1 13.5(7) . . . . ?
C4 Ru1 C1 C2 -65.42(19) . . . . ?
C3 Ru1 C1 C2 -28.58(18) . . . . ?
C36 Ru1 C1 C2 177.85(19) . . . . ?
C32 Ru1 C1 C2 148.46(18) . . . . ?
C33 Ru1 C1 C2 109.07(19) . . . . ?
C35 Ru1 C1 C2 117.0(7) . . . . ?
C34 Ru1 C1 C2 78.7(2) . . . . ?
Pb1 Ru1 C1 C2 -109.9(2) . . . . ?
C4 Ru1 C1 Si1 167.8(3) . . . . ?
C3 Ru1 C1 Si1 -155.3(3) . . . . ?
C2 Ru1 C1 Si1 -126.7(3) . . . . ?
C36 Ru1 C1 Si1 51.1(3) . . . . ?
C32 Ru1 C1 Si1 21.7(3) . . . . ?
C33 Ru1 C1 Si1 -17.7(3) . . . . ?
C35 Ru1 C1 Si1 -9.7(9) . . . . ?
C34 Ru1 C1 Si1 -48.0(3) . . . . ?
Pb1 Ru1 C1 Si1 123.4(3) . . . . ?
C4 Ru1 C1 Pb1 44.48(11) . . . . ?
C3 Ru1 C1 Pb1 81.32(11) . . . . ?
C2 Ru1 C1 Pb1 109.9(2) . . . . ?
C36 Ru1 C1 Pb1 -72.25(19) . . . . ?
C32 Ru1 C1 Pb1 -101.64(11) . . . . ?
C33 Ru1 C1 Pb1 -141.02(10) . . . . ?
C35 Ru1 C1 Pb1 -133.1(7) . . . . ?
C34 Ru1 C1 Pb1 -171.39(12) . . . . ?
C5 Pb1 C1 C2 148.7(4) . . . . ?
C4 Pb1 C1 C2 29.4(2) . . . . ?
Cl1 Pb1 C1 C2 142.5(6) . . . . ?
Ru1 Pb1 C1 C2 69.83(19) . . . . ?
C5 Pb1 C1 Si1 -61.8(4) . . . . ?
C4 Pb1 C1 Si1 179.03(19) . . . . ?
Cl1 Pb1 C1 Si1 -67.9(6) . . . . ?
Ru1 Pb1 C1 Si1 -140.6(2) . . . . ?
C5 Pb1 C1 Ru1 78.8(4) . . . . ?
C4 Pb1 C1 Ru1 -40.39(10) . . . . ?
Cl1 Pb1 C1 Ru1 72.7(6) . . . . ?
Si1 C1 C2 C3 -171.9(2) . . . . ?
Ru1 C1 C2 C3 50.9(3) . . . . ?
Pb1 C1 C2 C3 -26.2(3) . . . . ?
Si1 C1 C2 C14 11.2(5) . . . . ?
Ru1 C1 C2 C14 -126.1(3) . . . . ?
Pb1 C1 C2 C14 156.8(3) . . . . ?
Si1 C1 C2 Ru1 137.3(3) . . . . ?
Pb1 C1 C2 Ru1 -77.04(13) . . . . ?
C4 Ru1 C2 C1 106.3(2) . . . . ?
C3 Ru1 C2 C1 134.3(3) . . . . ?
C36 Ru1 C2 C1 -24(2) . . . . ?
C32 Ru1 C2 C1 -49.0(3) . . . . ?
C33 Ru1 C2 C1 -86.9(2) . . . . ?
C35 Ru1 C2 C1 -164.5(2) . . . . ?
C34 Ru1 C2 C1 -128.71(19) . . . . ?
Pb1 Ru1 C2 C1 50.69(16) . . . . ?
C4 Ru1 C2 C3 -28.00(17) . . . . ?
C1 Ru1 C2 C3 -134.3(3) . . . . ?
C36 Ru1 C2 C3 -158.5(19) . . . . ?
C32 Ru1 C2 C3 176.68(18) . . . . ?
C33 Ru1 C2 C3 138.85(18) . . . . ?
C35 Ru1 C2 C3 61.2(3) . . . . ?
C34 Ru1 C2 C3 97.02(19) . . . . ?
Pb1 Ru1 C2 C3 -83.59(17) . . . . ?
C4 Ru1 C2 C14 -137.8(3) . . . . ?
C1 Ru1 C2 C14 115.9(4) . . . . ?
C3 Ru1 C2 C14 -109.8(4) . . . . ?
C36 Ru1 C2 C14 92(2) . . . . ?
C32 Ru1 C2 C14 66.9(4) . . . . ?
C33 Ru1 C2 C14 29.1(3) . . . . ?
C35 Ru1 C2 C14 -48.6(4) . . . . ?
C34 Ru1 C2 C14 -12.8(3) . . . . ?
Pb1 Ru1 C2 C14 166.6(3) . . . . ?
C1 C2 C3 C4 -1.1(4) . . . . ?
C14 C2 C3 C4 176.1(3) . . . . ?
Ru1 C2 C3 C4 49.2(3) . . . . ?
C1 C2 C3 C20 -177.5(3) . . . . ?
C14 C2 C3 C20 -0.3(4) . . . . ?
Ru1 C2 C3 C20 -127.2(3) . . . . ?
C1 C2 C3 Ru1 -50.3(3) . . . . ?
C14 C2 C3 Ru1 126.9(3) . . . . ?
C1 Ru1 C3 C4 -106.8(2) . . . . ?
C2 Ru1 C3 C4 -134.8(3) . . . . ?
C36 Ru1 C3 C4 43.1(3) . . . . ?
C32 Ru1 C3 C4 176(2) . . . . ?
C33 Ru1 C3 C4 158.19(19) . . . . ?
C35 Ru1 C3 C4 79.5(2) . . . . ?
C34 Ru1 C3 C4 121.21(18) . . . . ?
Pb1 Ru1 C3 C4 -52.56(16) . . . . ?
C4 Ru1 C3 C2 134.8(3) . . . . ?
C1 Ru1 C3 C2 28.00(18) . . . . ?
C36 Ru1 C3 C2 177.83(19) . . . . ?
C32 Ru1 C3 C2 -49(2) . . . . ?
C33 Ru1 C3 C2 -67.1(2) . . . . ?
C35 Ru1 C3 C2 -145.75(18) . . . . ?
C34 Ru1 C3 C2 -104.04(19) . . . . ?
Pb1 Ru1 C3 C2 82.19(17) . . . . ?
C4 Ru1 C3 C20 -116.6(4) . . . . ?
C1 Ru1 C3 C20 136.6(3) . . . . ?
C2 Ru1 C3 C20 108.6(3) . . . . ?
C36 Ru1 C3 C20 -73.5(3) . . . . ?
C32 Ru1 C3 C20 59(2) . . . . ?
C33 Ru1 C3 C20 41.6(4) . . . . ?
C35 Ru1 C3 C20 -37.1(3) . . . . ?
C34 Ru1 C3 C20 4.6(3) . . . . ?
Pb1 Ru1 C3 C20 -169.2(3) . . . . ?
C2 C3 C4 Si2 168.6(2) . . . . ?
C20 C3 C4 Si2 -15.3(4) . . . . ?
Ru1 C3 C4 Si2 -141.0(3) . . . . ?
C2 C3 C4 Ru1 -50.4(3) . . . . ?
C20 C3 C4 Ru1 125.7(3) . . . . ?
C2 C3 C4 Pb1 26.9(3) . . . . ?
C20 C3 C4 Pb1 -157.0(2) . . . . ?
Ru1 C3 C4 Pb1 77.31(12) . . . . ?
C1 Ru1 C4 C3 64.65(19) . . . . ?
C2 Ru1 C4 C3 28.20(18) . . . . ?
C36 Ru1 C4 C3 -154.63(17) . . . . ?
C32 Ru1 C4 C3 -179.66(19) . . . . ?
C33 Ru1 C4 C3 -93.0(5) . . . . ?
C35 Ru1 C4 C3 -115.78(19) . . . . ?
C34 Ru1 C4 C3 -83.4(2) . . . . ?
Pb1 Ru1 C4 C3 108.12(19) . . . . ?
C1 Ru1 C4 Si2 -166.6(3) . . . . ?
C3 Ru1 C4 Si2 128.8(3) . . . . ?
C2 Ru1 C4 Si2 157.0(3) . . . . ?
C36 Ru1 C4 Si2 -25.9(3) . . . . ?
C32 Ru1 C4 Si2 -50.9(4) . . . . ?
C33 Ru1 C4 Si2 35.8(7) . . . . ?
C35 Ru1 C4 Si2 13.0(3) . . . . ?
C34 Ru1 C4 Si2 45.4(3) . . . . ?
Pb1 Ru1 C4 Si2 -123.1(3) . . . . ?
C1 Ru1 C4 Pb1 -43.47(10) . . . . ?
C3 Ru1 C4 Pb1 -108.12(19) . . . . ?
C2 Ru1 C4 Pb1 -79.92(11) . . . . ?
C36 Ru1 C4 Pb1 97.26(12) . . . . ?
C32 Ru1 C4 Pb1 72.2(2) . . . . ?
C33 Ru1 C4 Pb1 158.9(5) . . . . ?
C35 Ru1 C4 Pb1 136.10(10) . . . . ?
C34 Ru1 C4 Pb1 168.49(11) . . . . ?
C1 Pb1 C4 C3 -29.6(2) . . . . ?
C5 Pb1 C4 C3 -140.4(4) . . . . ?
Cl1 Pb1 C4 C3 -149.7(5) . . . . ?
Ru1 Pb1 C4 C3 -70.62(19) . . . . ?
C1 Pb1 C4 Si2 -176.01(18) . . . . ?
C5 Pb1 C4 Si2 73.2(4) . . . . ?
Cl1 Pb1 C4 Si2 63.9(5) . . . . ?
Ru1 Pb1 C4 Si2 142.9(2) . . . . ?
C1 Pb1 C4 Ru1 41.06(10) . . . . ?
C5 Pb1 C4 Ru1 -69.7(4) . . . . ?
Cl1 Pb1 C4 Ru1 -79.0(5) . . . . ?
C1 Pb1 C5 C6 87.1(7) . . . . ?
C4 Pb1 C5 C6 175.5(5) . . . . ?
Cl1 Pb1 C5 C6 -125(6) . . . . ?
Ru1 Pb1 C5 C6 132.9(6) . . . . ?
C1 Pb1 C5 C7 -152.0(7) . . . . ?
C4 Pb1 C5 C7 -63.6(10) . . . . ?
Cl1 Pb1 C5 C7 -4(4) . . . . ?
Ru1 Pb1 C5 C7 -106.2(9) . . . . ?
C2 C1 Si1 C8 -33.7(3) . . . . ?
Ru1 C1 Si1 C8 72.6(3) . . . . ?
Pb1 C1 Si1 C8 -176.26(17) . . . . ?
C2 C1 Si1 C9 -152.2(3) . . . . ?
Ru1 C1 Si1 C9 -46.0(3) . . . . ?
Pb1 C1 Si1 C9 65.2(2) . . . . ?
C2 C1 Si1 C10 88.9(3) . . . . ?
Ru1 C1 Si1 C10 -164.8(2) . . . . ?
Pb1 C1 Si1 C10 -53.7(2) . . . . ?
C8 Si1 C10 C13 -161.0(3) . . . . ?
C9 Si1 C10 C13 -47.4(3) . . . . ?
C1 Si1 C10 C13 73.5(3) . . . . ?
C8 Si1 C10 C11 75.8(3) . . . . ?
C9 Si1 C10 C11 -170.6(3) . . . . ?
C1 Si1 C10 C11 -49.7(3) . . . . ?
C8 Si1 C10 C12 -43.7(3) . . . . ?
C9 Si1 C10 C12 69.9(3) . . . . ?
C1 Si1 C10 C12 -169.2(3) . . . . ?
C1 C2 C14 C15 91.8(4) . . . . ?
C3 C2 C14 C15 -85.3(4) . . . . ?
Ru1 C2 C14 C15 1.9(5) . . . . ?
C1 C2 C14 C19 -89.3(4) . . . . ?
C3 C2 C14 C19 93.7(4) . . . . ?
Ru1 C2 C14 C19 -179.1(3) . . . . ?
C19 C14 C15 C16 1.6(5) . . . . ?
C2 C14 C15 C16 -179.4(3) . . . . ?
C14 C15 C16 C17 -0.3(6) . . . . ?
C15 C16 C17 C18 -0.7(6) . . . . ?
C16 C17 C18 C19 0.5(6) . . . . ?
C17 C18 C19 C14 0.9(6) . . . . ?
C15 C14 C19 C18 -1.9(5) . . . . ?
C2 C14 C19 C18 179.1(3) . . . . ?
C4 C3 C20 C21 -73.1(4) . . . . ?
C2 C3 C20 C21 103.1(4) . . . . ?
Ru1 C3 C20 C21 16.3(4) . . . . ?
C4 C3 C20 C25 109.9(4) . . . . ?
C2 C3 C20 C25 -73.9(4) . . . . ?
Ru1 C3 C20 C25 -160.8(2) . . . . ?
C25 C20 C21 C22 2.0(5) . . . . ?
C3 C20 C21 C22 -175.1(3) . . . . ?
C20 C21 C22 C23 -0.7(5) . . . . ?
C21 C22 C23 C24 -1.1(5) . . . . ?
C22 C23 C24 C25 1.6(5) . . . . ?
C23 C24 C25 C20 -0.2(5) . . . . ?
C21 C20 C25 C24 -1.6(5) . . . . ?
C3 C20 C25 C24 175.6(3) . . . . ?
C3 C4 Si2 C27 162.9(3) . . . . ?
Ru1 C4 Si2 C27 52.6(3) . . . . ?
Pb1 C4 Si2 C27 -59.2(2) . . . . ?
C3 C4 Si2 C26 43.4(3) . . . . ?
Ru1 C4 Si2 C26 -66.9(3) . . . . ?
Pb1 C4 Si2 C26 -178.66(15) . . . . ?
C3 C4 Si2 C28 -77.6(3) . . . . ?
Ru1 C4 Si2 C28 172.1(2) . . . . ?
Pb1 C4 Si2 C28 60.39(19) . . . . ?
C27 Si2 C28 C29 171.6(2) . . . . ?
C4 Si2 C28 C29 50.0(3) . . . . ?
C26 Si2 C28 C29 -75.3(3) . . . . ?
C27 Si2 C28 C31 49.9(3) . . . . ?
C4 Si2 C28 C31 -71.7(3) . . . . ?
C26 Si2 C28 C31 162.9(2) . . . . ?
C27 Si2 C28 C30 -69.4(3) . . . . ?
C4 Si2 C28 C30 169.0(2) . . . . ?
C26 Si2 C28 C30 43.6(3) . . . . ?
C4 Ru1 C32 C33 156.8(2) . . . . ?
C1 Ru1 C32 C33 -95.2(2) . . . . ?
C3 Ru1 C32 C33 -19(2) . . . . ?
C2 Ru1 C32 C33 -65.6(3) . . . . ?
C36 Ru1 C32 C33 116.7(3) . . . . ?
C35 Ru1 C32 C33 79.1(2) . . . . ?
C34 Ru1 C32 C33 37.04(18) . . . . ?
Pb1 Ru1 C32 C33 -149.60(16) . . . . ?
C4 Ru1 C32 C36 40.1(3) . . . . ?
C1 Ru1 C32 C36 148.08(18) . . . . ?
C3 Ru1 C32 C36 -136(2) . . . . ?
C2 Ru1 C32 C36 177.63(19) . . . . ?
C33 Ru1 C32 C36 -116.7(3) . . . . ?
C35 Ru1 C32 C36 -37.67(18) . . . . ?
C34 Ru1 C32 C36 -79.7(2) . . . . ?
Pb1 Ru1 C32 C36 93.67(17) . . . . ?
C4 Ru1 C32 C37 -79.0(4) . . . . ?
C1 Ru1 C32 C37 29.1(4) . . . . ?
C3 Ru1 C32 C37 105(2) . . . . ?
C2 Ru1 C32 C37 58.6(4) . . . . ?
C36 Ru1 C32 C37 -119.0(4) . . . . ?
C33 Ru1 C32 C37 124.3(4) . . . . ?
C35 Ru1 C32 C37 -156.7(4) . . . . ?
C34 Ru1 C32 C37 161.3(4) . . . . ?
Pb1 Ru1 C32 C37 -25.3(4) . . . . ?
C36 C32 C33 C34 -0.3(4) . . . . ?
C37 C32 C33 C34 166.6(3) . . . . ?
Ru1 C32 C33 C34 -62.6(2) . . . . ?
C36 C32 C33 C38 -172.3(3) . . . . ?
C37 C32 C33 C38 -5.4(5) . . . . ?
Ru1 C32 C33 C38 125.4(3) . . . . ?
C36 C32 C33 Ru1 62.3(2) . . . . ?
C37 C32 C33 Ru1 -130.9(3) . . . . ?
C4 Ru1 C33 C32 -105.5(5) . . . . ?
C1 Ru1 C33 C32 98.1(2) . . . . ?
C3 Ru1 C33 C32 178.55(19) . . . . ?
C2 Ru1 C33 C32 138.49(19) . . . . ?
C36 Ru1 C33 C32 -38.04(19) . . . . ?
C35 Ru1 C33 C32 -80.4(2) . . . . ?
C34 Ru1 C33 C32 -117.8(3) . . . . ?
Pb1 Ru1 C33 C32 48.0(2) . . . . ?
C4 Ru1 C33 C34 12.3(6) . . . . ?
C1 Ru1 C33 C34 -144.14(19) . . . . ?
C3 Ru1 C33 C34 -63.7(3) . . . . ?
C2 Ru1 C33 C34 -103.7(2) . . . . ?
C36 Ru1 C33 C34 79.7(2) . . . . ?
C32 Ru1 C33 C34 117.8(3) . . . . ?
C35 Ru1 C33 C34 37.38(18) . . . . ?
Pb1 Ru1 C33 C34 165.78(14) . . . . ?
C4 Ru1 C33 C38 133.4(5) . . . . ?
C1 Ru1 C33 C38 -23.0(3) . . . . ?
C3 Ru1 C33 C38 57.5(4) . . . . ?
C2 Ru1 C33 C38 17.4(3) . . . . ?
C36 Ru1 C33 C38 -159.1(3) . . . . ?
C32 Ru1 C33 C38 -121.1(4) . . . . ?
C35 Ru1 C33 C38 158.5(3) . . . . ?
C34 Ru1 C33 C38 121.1(4) . . . . ?
Pb1 Ru1 C33 C38 -73.1(3) . . . . ?
C32 C33 C34 C35 -0.2(4) . . . . ?
C38 C33 C34 C35 171.8(3) . . . . ?
Ru1 C33 C34 C35 -61.8(2) . . . . ?
C32 C33 C34 C39 -170.2(3) . . . . ?
C38 C33 C34 C39 1.8(5) . . . . ?
Ru1 C33 C34 C39 128.2(3) . . . . ?
C32 C33 C34 Ru1 61.6(2) . . . . ?
C38 C33 C34 Ru1 -126.4(3) . . . . ?
C4 Ru1 C34 C35 -59.0(2) . . . . ?
C1 Ru1 C34 C35 169.9(2) . . . . ?
C3 Ru1 C34 C35 -102.6(2) . . . . ?
C2 Ru1 C34 C35 -146.57(19) . . . . ?
C36 Ru1 C34 C35 37.21(19) . . . . ?
C32 Ru1 C34 C35 80.0(2) . . . . ?
C33 Ru1 C34 C35 117.2(3) . . . . ?
Pb1 Ru1 C34 C35 37.0(6) . . . . ?
C4 Ru1 C34 C33 -176.23(18) . . . . ?
C1 Ru1 C34 C33 52.7(3) . . . . ?
C3 Ru1 C34 C33 140.17(19) . . . . ?
C2 Ru1 C34 C33 96.2(2) . . . . ?
C36 Ru1 C34 C33 -80.0(2) . . . . ?
C32 Ru1 C34 C33 -37.19(19) . . . . ?
C35 Ru1 C34 C33 -117.2(3) . . . . ?
Pb1 Ru1 C34 C33 -80.2(6) . . . . ?
C4 Ru1 C34 C39 61.9(4) . . . . ?
C1 Ru1 C34 C39 -69.1(4) . . . . ?
C3 Ru1 C34 C39 18.3(4) . . . . ?
C2 Ru1 C34 C39 -25.6(4) . . . . ?
C36 Ru1 C34 C39 158.2(4) . . . . ?
C32 Ru1 C34 C39 -159.0(4) . . . . ?
C33 Ru1 C34 C39 -121.8(4) . . . . ?
C35 Ru1 C34 C39 121.0(4) . . . . ?
Pb1 Ru1 C34 C39 158.0(4) . . . . ?
C33 C34 C35 C36 0.7(4) . . . . ?
C39 C34 C35 C36 170.8(3) . . . . ?
Ru1 C34 C35 C36 -61.1(2) . . . . ?
C33 C34 C35 C40 -171.0(3) . . . . ?
C39 C34 C35 C40 -1.0(5) . . . . ?
Ru1 C34 C35 C40 127.2(3) . . . . ?
C33 C34 C35 Ru1 61.7(2) . . . . ?
C39 C34 C35 Ru1 -128.2(3) . . . . ?
C4 Ru1 C35 C36 -105.6(2) . . . . ?
C1 Ru1 C35 C36 71.9(8) . . . . ?
C3 Ru1 C35 C36 -145.11(19) . . . . ?
C2 Ru1 C35 C36 176.4(2) . . . . ?
C32 Ru1 C35 C36 38.10(18) . . . . ?
C33 Ru1 C35 C36 80.4(2) . . . . ?
C34 Ru1 C35 C36 117.8(3) . . . . ?
Pb1 Ru1 C35 C36 -54.4(2) . . . . ?
C4 Ru1 C35 C34 136.55(19) . . . . ?
C1 Ru1 C35 C34 -46.0(8) . . . . ?
C3 Ru1 C35 C34 97.1(2) . . . . ?
C2 Ru1 C35 C34 58.5(3) . . . . ?
C36 Ru1 C35 C34 -117.8(3) . . . . ?
C32 Ru1 C35 C34 -79.7(2) . . . . ?
C33 Ru1 C35 C34 -37.42(19) . . . . ?
Pb1 Ru1 C35 C34 -172.18(14) . . . . ?
C4 Ru1 C35 C40 13.5(3) . . . . ?
C1 Ru1 C35 C40 -169.0(6) . . . . ?
C3 Ru1 C35 C40 -25.9(3) . . . . ?
C2 Ru1 C35 C40 -64.5(4) . . . . ?
C36 Ru1 C35 C40 119.2(4) . . . . ?
C32 Ru1 C35 C40 157.3(4) . . . . ?
C33 Ru1 C35 C40 -160.4(4) . . . . ?
C34 Ru1 C35 C40 -123.0(4) . . . . ?
Pb1 Ru1 C35 C40 64.8(3) . . . . ?
C34 C35 C36 C32 -0.9(4) . . . . ?
C40 C35 C36 C32 171.0(3) . . . . ?
Ru1 C35 C36 C32 -63.2(2) . . . . ?
C34 C35 C36 C41 -170.1(3) . . . . ?
C40 C35 C36 C41 1.8(5) . . . . ?
Ru1 C35 C36 C41 127.5(3) . . . . ?
C34 C35 C36 Ru1 62.4(2) . . . . ?
C40 C35 C36 Ru1 -125.8(3) . . . . ?
C33 C32 C36 C35 0.7(4) . . . . ?
C37 C32 C36 C35 -166.6(3) . . . . ?
Ru1 C32 C36 C35 64.0(2) . . . . ?
C33 C32 C36 C41 170.1(3) . . . . ?
C37 C32 C36 C41 2.8(5) . . . . ?
Ru1 C32 C36 C41 -126.6(3) . . . . ?
C33 C32 C36 Ru1 -63.3(2) . . . . ?
C37 C32 C36 Ru1 129.4(3) . . . . ?
C4 Ru1 C36 C35 87.2(2) . . . . ?
C1 Ru1 C36 C35 -165.82(19) . . . . ?
C3 Ru1 C36 C35 60.0(3) . . . . ?
C2 Ru1 C36 C35 -143.3(19) . . . . ?
C32 Ru1 C36 C35 -116.6(3) . . . . ?
C33 Ru1 C36 C35 -79.0(2) . . . . ?
C34 Ru1 C36 C35 -36.98(18) . . . . ?
Pb1 Ru1 C36 C35 142.99(17) . . . . ?
C4 Ru1 C36 C32 -156.17(18) . . . . ?
C1 Ru1 C36 C32 -49.2(3) . . . . ?
C3 Ru1 C36 C32 176.57(19) . . . . ?
C2 Ru1 C36 C32 -27(2) . . . . ?
C33 Ru1 C36 C32 37.56(18) . . . . ?
C35 Ru1 C36 C32 116.6(3) . . . . ?
C34 Ru1 C36 C32 79.6(2) . . . . ?
Pb1 Ru1 C36 C32 -100.42(17) . . . . ?
C4 Ru1 C36 C41 -35.6(4) . . . . ?
C1 Ru1 C36 C41 71.3(4) . . . . ?
C3 Ru1 C36 C41 -62.9(4) . . . . ?
C2 Ru1 C36 C41 94(2) . . . . ?
C32 Ru1 C36 C41 120.5(4) . . . . ?
C33 Ru1 C36 C41 158.1(4) . . . . ?
C35 Ru1 C36 C41 -122.9(4) . . . . ?
C34 Ru1 C36 C41 -159.9(4) . . . . ?
Pb1 Ru1 C36 C41 20.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.886
_refine_diff_density_min         -0.487
_refine_diff_density_rms         0.085
####################################################################### 
# 
# 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_masa784
_database_code_depnum_ccdc_archive 'CCDC 1507475'
_audit_update_record             
;
2016-09-30 deposited with the CCDC.
2017-02-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'Anionic PlumboleRuthenocene'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H55 Pb Ru Si2, C16 H32 Li O4'
_chemical_formula_sum            'C54 H87 Li O4 Pb Ru Si2'
_chemical_formula_weight         1171.63

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'
Li Li -0.0003 0.0001 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 '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                   12.7785(7)
_cell_length_b                   14.3628(8)
_cell_length_c                   15.1226(9)
_cell_angle_alpha                97.8360(10)
_cell_angle_beta                 96.9920(10)
_cell_angle_gamma                93.2610(10)
_cell_volume                     2721.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6636
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      27.77

_exptl_crystal_description       cube
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1200
_exptl_absorpt_coefficient_mu    3.452
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.614
_exptl_absorpt_correction_T_max  0.708
_exptl_absorpt_process_details   'SADABS; Sheldrick 1996'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number            19140
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0606
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         27.50
_reflns_number_total             12507
_reflns_number_gt                10711
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0418P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12507
_refine_ls_number_parameters     568
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0380
_refine_ls_wR_factor_ref         0.0872
_refine_ls_wR_factor_gt          0.0831
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.005
_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
Pb1 Pb 0.232294(11) 0.133965(10) 0.220802(10) 0.01412(5) Uani 1 1 d . . .
C1 C 0.0733(3) 0.1564(3) 0.2704(3) 0.0151(8) Uani 1 1 d . . .
C2 C 0.0390(3) 0.2483(3) 0.2649(3) 0.0130(8) Uani 1 1 d . . .
C3 C 0.1116(3) 0.3181(3) 0.2381(3) 0.0123(8) Uani 1 1 d . . .
C4 C 0.2122(3) 0.2904(3) 0.2187(3) 0.0137(8) Uani 1 1 d . . .
Si1 Si -0.00591(8) 0.05153(7) 0.28789(8) 0.0144(2) Uani 1 1 d . . .
C5 C -0.1195(3) 0.0717(3) 0.3555(3) 0.0198(9) Uani 1 1 d . . .
H5A H -0.1550 0.0121 0.3600 0.030 Uiso 1 1 calc R . .
H5B H -0.1683 0.1097 0.3262 0.030 Uiso 1 1 calc R . .
H5C H -0.0929 0.1034 0.4147 0.030 Uiso 1 1 calc R . .
C6 C 0.0780(3) -0.0291(3) 0.3483(3) 0.0238(10) Uani 1 1 d . . .
H6A H 0.0349 -0.0832 0.3569 0.036 Uiso 1 1 calc R . .
H6B H 0.1096 0.0037 0.4058 0.036 Uiso 1 1 calc R . .
H6C H 0.1326 -0.0490 0.3131 0.036 Uiso 1 1 calc R . .
C7 C -0.0649(3) -0.0218(3) 0.1746(3) 0.0197(9) Uani 1 1 d . . .
C8 C -0.1154(4) 0.0398(3) 0.1093(3) 0.0308(11) Uani 1 1 d . . .
H8A H -0.0631 0.0860 0.0983 0.046 Uiso 1 1 calc R . .
H8B H -0.1716 0.0710 0.1348 0.046 Uiso 1 1 calc R . .
H8C H -0.1433 0.0012 0.0535 0.046 Uiso 1 1 calc R . .
C9 C 0.0202(4) -0.0757(3) 0.1304(3) 0.0300(11) Uani 1 1 d . . .
H9A H 0.0524 -0.1149 0.1709 0.045 Uiso 1 1 calc R . .
H9B H 0.0731 -0.0316 0.1168 0.045 Uiso 1 1 calc R . .
H9C H -0.0117 -0.1142 0.0758 0.045 Uiso 1 1 calc R . .
C10 C -0.1501(4) -0.0956(3) 0.1906(3) 0.0276(10) Uani 1 1 d . . .
H10A H -0.1194 -0.1354 0.2313 0.041 Uiso 1 1 calc R . .
H10B H -0.1780 -0.1332 0.1344 0.041 Uiso 1 1 calc R . .
H10C H -0.2061 -0.0642 0.2162 0.041 Uiso 1 1 calc R . .
C11 C -0.0698(3) 0.2750(3) 0.2809(3) 0.0138(8) Uani 1 1 d . . .
C12 C -0.0948(3) 0.3083(3) 0.3648(3) 0.0194(9) Uani 1 1 d . . .
H12A H -0.0421 0.3167 0.4140 0.023 Uiso 1 1 calc R . .
C13 C -0.1974(3) 0.3298(3) 0.3779(3) 0.0211(9) Uani 1 1 d . . .
H13A H -0.2124 0.3530 0.4351 0.025 Uiso 1 1 calc R . .
C14 C -0.2762(3) 0.3167(3) 0.3061(3) 0.0218(9) Uani 1 1 d . . .
H14A H -0.3453 0.3289 0.3147 0.026 Uiso 1 1 calc R . .
C15 C -0.2522(3) 0.2853(3) 0.2214(3) 0.0247(10) Uani 1 1 d . . .
H15A H -0.3051 0.2774 0.1724 0.030 Uiso 1 1 calc R . .
C16 C -0.1495(3) 0.2652(3) 0.2085(3) 0.0206(9) Uani 1 1 d . . .
H16A H -0.1341 0.2449 0.1508 0.025 Uiso 1 1 calc R . .
C17 C 0.0730(3) 0.4127(3) 0.2249(3) 0.0140(8) Uani 1 1 d . . .
C18 C 0.0218(3) 0.4249(3) 0.1413(3) 0.0198(9) Uani 1 1 d . . .
H18A H 0.0110 0.3740 0.0953 0.024 Uiso 1 1 calc R . .
C19 C -0.0138(3) 0.5116(3) 0.1248(3) 0.0240(10) Uani 1 1 d . . .
H19A H -0.0478 0.5181 0.0682 0.029 Uiso 1 1 calc R . .
C20 C 0.0016(3) 0.5880(3) 0.1927(3) 0.0239(10) Uani 1 1 d . . .
H20A H -0.0203 0.6466 0.1819 0.029 Uiso 1 1 calc R . .
C21 C 0.0498(3) 0.5762(3) 0.2763(3) 0.0228(9) Uani 1 1 d . . .
H21A H 0.0588 0.6270 0.3225 0.027 Uiso 1 1 calc R . .
C22 C 0.0855(3) 0.4900(3) 0.2931(3) 0.0182(8) Uani 1 1 d . . .
H22A H 0.1179 0.4836 0.3503 0.022 Uiso 1 1 calc R . .
Si2 Si 0.31406(8) 0.36009(7) 0.17475(7) 0.0131(2) Uani 1 1 d . . .
C23 C 0.3071(3) 0.4913(3) 0.1959(3) 0.0177(8) Uani 1 1 d . . .
H23A H 0.3632 0.5214 0.1706 0.027 Uiso 1 1 calc R . .
H23B H 0.3145 0.5121 0.2596 0.027 Uiso 1 1 calc R . .
H23C H 0.2402 0.5076 0.1684 0.027 Uiso 1 1 calc R . .
C24 C 0.4513(3) 0.3402(3) 0.2247(3) 0.0194(9) Uani 1 1 d . . .
H24A H 0.5017 0.3779 0.2000 0.029 Uiso 1 1 calc R . .
H24B H 0.4636 0.2749 0.2108 0.029 Uiso 1 1 calc R . .
H24C H 0.4588 0.3578 0.2888 0.029 Uiso 1 1 calc R . .
C25 C 0.3107(3) 0.3256(3) 0.0471(3) 0.0166(8) Uani 1 1 d . . .
C26 C 0.1985(3) 0.3194(3) -0.0007(3) 0.0221(9) Uani 1 1 d . . .
H26A H 0.1558 0.2734 0.0221 0.033 Uiso 1 1 calc R . .
H26B H 0.1989 0.3012 -0.0642 0.033 Uiso 1 1 calc R . .
H26C H 0.1699 0.3797 0.0096 0.033 Uiso 1 1 calc R . .
C27 C 0.3579(3) 0.2295(3) 0.0259(3) 0.0223(9) Uani 1 1 d . . .
H27A H 0.4291 0.2330 0.0556 0.033 Uiso 1 1 calc R . .
H27B H 0.3579 0.2145 -0.0380 0.033 Uiso 1 1 calc R . .
H27C H 0.3160 0.1815 0.0468 0.033 Uiso 1 1 calc R . .
C28 C 0.3791(4) 0.3995(3) 0.0098(3) 0.0246(10) Uani 1 1 d . . .
H28A H 0.4503 0.4032 0.0396 0.037 Uiso 1 1 calc R . .
H28B H 0.3508 0.4599 0.0203 0.037 Uiso 1 1 calc R . .
H28C H 0.3788 0.3812 -0.0537 0.037 Uiso 1 1 calc R . .
Ru1 Ru 0.18546(2) 0.26879(2) 0.36070(2) 0.01090(7) Uani 1 1 d . . .
C29 C 0.1823(3) 0.3562(3) 0.4957(3) 0.0151(8) Uani 1 1 d . . .
C30 C 0.1708(3) 0.2584(3) 0.5038(3) 0.0155(8) Uani 1 1 d . . .
C31 C 0.2646(3) 0.2162(3) 0.4787(3) 0.0146(8) Uani 1 1 d . . .
C32 C 0.3328(3) 0.2882(3) 0.4543(3) 0.0148(8) Uani 1 1 d . . .
C33 C 0.2817(3) 0.3749(3) 0.4638(3) 0.0142(8) Uani 1 1 d . . .
C34 C 0.1128(3) 0.4302(3) 0.5299(3) 0.0191(9) Uani 1 1 d . . .
H34A H 0.1374 0.4903 0.5160 0.029 Uiso 1 1 calc R . .
H34B H 0.1152 0.4333 0.5940 0.029 Uiso 1 1 calc R . .
H34C H 0.0414 0.4144 0.5017 0.029 Uiso 1 1 calc R . .
C35 C 0.0860(3) 0.2092(3) 0.5449(3) 0.0199(9) Uani 1 1 d . . .
H35A H 0.0973 0.1434 0.5414 0.030 Uiso 1 1 calc R . .
H35B H 0.0181 0.2167 0.5128 0.030 Uiso 1 1 calc R . .
H35C H 0.0883 0.2363 0.6068 0.030 Uiso 1 1 calc R . .
C36 C 0.2957(4) 0.1198(3) 0.4922(3) 0.0229(9) Uani 1 1 d . . .
H36A H 0.2369 0.0842 0.5083 0.034 Uiso 1 1 calc R . .
H36B H 0.3540 0.1249 0.5395 0.034 Uiso 1 1 calc R . .
H36C H 0.3163 0.0885 0.4375 0.034 Uiso 1 1 calc R . .
C37 C 0.4458(3) 0.2764(3) 0.4399(3) 0.0216(9) Uani 1 1 d . . .
H37A H 0.4761 0.3335 0.4240 0.032 Uiso 1 1 calc R . .
H37B H 0.4484 0.2255 0.3921 0.032 Uiso 1 1 calc R . .
H37C H 0.4849 0.2626 0.4942 0.032 Uiso 1 1 calc R . .
C38 C 0.3320(3) 0.4701(3) 0.4577(3) 0.0203(9) Uani 1 1 d . . .
H38A H 0.2817 0.5166 0.4665 0.030 Uiso 1 1 calc R . .
H38B H 0.3544 0.4700 0.3994 0.030 Uiso 1 1 calc R . .
H38C H 0.3920 0.4847 0.5033 0.030 Uiso 1 1 calc R . .
Li1 Li 0.5441(6) 0.2107(5) 0.7518(5) 0.0227(16) Uani 1 1 d . . .
O1 O 0.4933(3) 0.0869(2) 0.7736(2) 0.0319(8) Uani 1 1 d . . .
C39 C 0.5214(4) 0.0537(3) 0.8580(4) 0.0370(12) Uani 1 1 d . . .
H39A H 0.5109 0.1010 0.9078 0.044 Uiso 1 1 calc R . .
H39B H 0.5949 0.0391 0.8647 0.044 Uiso 1 1 calc R . .
C40 C 0.4500(5) -0.0335(4) 0.8560(5) 0.0523(17) Uani 1 1 d . . .
H40A H 0.3832 -0.0182 0.8765 0.063 Uiso 1 1 calc R . .
H40B H 0.4831 -0.0769 0.8927 0.063 Uiso 1 1 calc R . .
C41 C 0.4351(5) -0.0742(4) 0.7564(5) 0.0538(18) Uani 1 1 d . . .
H41A H 0.4937 -0.1105 0.7410 0.065 Uiso 1 1 calc R . .
H41B H 0.3696 -0.1136 0.7399 0.065 Uiso 1 1 calc R . .
C42 C 0.4321(4) 0.0128(4) 0.7123(4) 0.0392(13) Uani 1 1 d . . .
H42A H 0.4619 0.0026 0.6560 0.047 Uiso 1 1 calc R . .
H42B H 0.3598 0.0292 0.6996 0.047 Uiso 1 1 calc R . .
O2 O 0.6122(2) 0.2056(2) 0.6434(2) 0.0246(7) Uani 1 1 d . . .
C43 C 0.6246(4) 0.1204(3) 0.5846(3) 0.0274(10) Uani 1 1 d . . .
H43A H 0.5580 0.0970 0.5485 0.033 Uiso 1 1 calc R . .
H43B H 0.6495 0.0720 0.6192 0.033 Uiso 1 1 calc R . .
C44 C 0.7057(4) 0.1474(3) 0.5252(3) 0.0297(11) Uani 1 1 d . . .
H44A H 0.7479 0.0953 0.5088 0.036 Uiso 1 1 calc R . .
H44B H 0.6722 0.1681 0.4710 0.036 Uiso 1 1 calc R . .
C45 C 0.7718(3) 0.2275(3) 0.5861(3) 0.0257(10) Uani 1 1 d . . .
H45A H 0.8216 0.2042 0.6301 0.031 Uiso 1 1 calc R . .
H45B H 0.8099 0.2671 0.5517 0.031 Uiso 1 1 calc R . .
C46 C 0.6886(3) 0.2794(3) 0.6301(3) 0.0248(10) Uani 1 1 d . . .
H46A H 0.7186 0.3159 0.6872 0.030 Uiso 1 1 calc R . .
H46B H 0.6561 0.3214 0.5916 0.030 Uiso 1 1 calc R . .
O3 O 0.4314(2) 0.2924(2) 0.7372(2) 0.0250(7) Uani 1 1 d . . .
C47 C 0.4330(4) 0.3728(3) 0.6906(3) 0.0255(10) Uani 1 1 d . . .
H47A H 0.4115 0.3545 0.6265 0.031 Uiso 1 1 calc R . .
H47B H 0.5029 0.4054 0.6999 0.031 Uiso 1 1 calc R . .
C48 C 0.3546(4) 0.4336(3) 0.7321(4) 0.0320(11) Uani 1 1 d . . .
H48A H 0.3275 0.4764 0.6920 0.038 Uiso 1 1 calc R . .
H48B H 0.3862 0.4699 0.7889 0.038 Uiso 1 1 calc R . .
C49 C 0.2677(3) 0.3616(3) 0.7461(3) 0.0263(10) Uani 1 1 d . . .
H49A H 0.2098 0.3552 0.6973 0.032 Uiso 1 1 calc R . .
H49B H 0.2405 0.3798 0.8026 0.032 Uiso 1 1 calc R . .
C50 C 0.3228(3) 0.2695(3) 0.7472(3) 0.0233(9) Uani 1 1 d . . .
H50A H 0.3181 0.2454 0.8036 0.028 Uiso 1 1 calc R . .
H50B H 0.2903 0.2222 0.6982 0.028 Uiso 1 1 calc R . .
O4 O 0.6528(2) 0.2533(2) 0.8509(2) 0.0283(7) Uani 1 1 d . . .
C51 C 0.6432(4) 0.3099(3) 0.9357(3) 0.0286(10) Uani 1 1 d . . .
H51A H 0.6049 0.2740 0.9729 0.034 Uiso 1 1 calc R . .
H51B H 0.6063 0.3655 0.9260 0.034 Uiso 1 1 calc R . .
C52 C 0.7561(4) 0.3372(3) 0.9800(3) 0.0311(11) Uani 1 1 d . . .
H52A H 0.7601 0.3500 1.0450 0.037 Uiso 1 1 calc R . .
H52B H 0.7864 0.3916 0.9579 0.037 Uiso 1 1 calc R . .
C53 C 0.8105(4) 0.2483(4) 0.9502(3) 0.0362(12) Uani 1 1 d . . .
H53A H 0.8860 0.2618 0.9522 0.043 Uiso 1 1 calc R . .
H53B H 0.7981 0.1999 0.9875 0.043 Uiso 1 1 calc R . .
C54 C 0.7576(4) 0.2191(4) 0.8545(3) 0.0370(12) Uani 1 1 d . . .
H54A H 0.7974 0.2467 0.8126 0.044 Uiso 1 1 calc R . .
H54B H 0.7530 0.1511 0.8390 0.044 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 C1 2.274(4) . ?
Pb1 C4 2.280(4) . ?
Pb1 Ru1 2.8119(3) . ?
C1 C2 1.425(5) . ?
C1 Si1 1.834(4) . ?
C1 Ru1 2.277(4) . ?
C2 C3 1.458(5) . ?
C2 C11 1.502(5) . ?
C2 Ru1 2.202(4) . ?
C3 C4 1.419(5) . ?
C3 C17 1.502(5) . ?
C3 Ru1 2.200(4) . ?
C4 Si2 1.839(4) . ?
C4 Ru1 2.274(4) . ?
Si1 C6 1.875(4) . ?
Si1 C5 1.888(4) . ?
Si1 C7 1.928(4) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.525(6) . ?
C7 C9 1.536(6) . ?
C7 C10 1.539(6) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.375(6) . ?
C11 C16 1.388(6) . ?
C12 C13 1.395(6) . ?
C12 H12A 0.9300 . ?
C13 C14 1.372(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.375(6) . ?
C14 H14A 0.9300 . ?
C15 C16 1.390(6) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 C18 1.389(6) . ?
C17 C22 1.396(6) . ?
C18 C19 1.394(6) . ?
C18 H18A 0.9300 . ?
C19 C20 1.385(6) . ?
C19 H19A 0.9300 . ?
C20 C21 1.373(6) . ?
C20 H20A 0.9300 . ?
C21 C22 1.389(6) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
Si2 C24 1.876(4) . ?
Si2 C23 1.878(4) . ?
Si2 C25 1.920(4) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.517(6) . ?
C25 C28 1.545(6) . ?
C25 C27 1.547(5) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
Ru1 C31 2.189(4) . ?
Ru1 C32 2.193(4) . ?
Ru1 C30 2.219(4) . ?
Ru1 C33 2.222(4) . ?
Ru1 C29 2.252(4) . ?
C29 C30 1.427(5) . ?
C29 C33 1.437(5) . ?
C29 C34 1.502(5) . ?
C30 C31 1.442(5) . ?
C30 C35 1.502(5) . ?
C31 C32 1.431(6) . ?
C31 C36 1.496(5) . ?
C32 C33 1.437(5) . ?
C32 C37 1.501(5) . ?
C33 C38 1.496(5) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
Li1 O3 1.919(8) . ?
Li1 O4 1.923(8) . ?
Li1 O1 1.941(8) . ?
Li1 O2 1.942(8) . ?
O1 C42 1.436(6) . ?
O1 C39 1.436(6) . ?
C39 C40 1.502(7) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 C41 1.523(9) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.495(7) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
O2 C43 1.439(5) . ?
O2 C46 1.452(5) . ?
C43 C44 1.519(6) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.516(6) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.502(6) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
O3 C47 1.433(5) . ?
O3 C50 1.439(5) . ?
C47 C48 1.504(6) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 C49 1.528(6) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C50 1.535(6) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
O4 C51 1.443(5) . ?
O4 C54 1.450(5) . ?
C51 C52 1.521(7) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C53 1.528(6) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.515(7) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?

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 Pb1 C4 75.79(14) . . ?
C1 Pb1 Ru1 51.89(10) . . ?
C4 Pb1 Ru1 51.78(10) . . ?
C2 C1 Si1 127.5(3) . . ?
C2 C1 Pb1 113.7(3) . . ?
Si1 C1 Pb1 117.35(19) . . ?
C2 C1 Ru1 68.6(2) . . ?
Si1 C1 Ru1 135.1(2) . . ?
Pb1 C1 Ru1 76.32(12) . . ?
C1 C2 C3 118.1(3) . . ?
C1 C2 C11 123.1(3) . . ?
C3 C2 C11 118.7(3) . . ?
C1 C2 Ru1 74.4(2) . . ?
C3 C2 Ru1 70.6(2) . . ?
C11 C2 Ru1 128.3(3) . . ?
C4 C3 C2 118.1(3) . . ?
C4 C3 C17 123.3(3) . . ?
C2 C3 C17 118.4(3) . . ?
C4 C3 Ru1 74.4(2) . . ?
C2 C3 Ru1 70.7(2) . . ?
C17 C3 Ru1 129.9(3) . . ?
C3 C4 Si2 127.2(3) . . ?
C3 C4 Ru1 68.7(2) . . ?
Si2 C4 Ru1 132.6(2) . . ?
C3 C4 Pb1 113.7(3) . . ?
Si2 C4 Pb1 118.12(18) . . ?
Ru1 C4 Pb1 76.27(11) . . ?
C1 Si1 C6 110.98(19) . . ?
C1 Si1 C5 116.97(18) . . ?
C6 Si1 C5 105.0(2) . . ?
C1 Si1 C7 111.06(19) . . ?
C6 Si1 C7 105.6(2) . . ?
C5 Si1 C7 106.46(18) . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C9 108.7(4) . . ?
C8 C7 C10 108.4(4) . . ?
C9 C7 C10 107.2(3) . . ?
C8 C7 Si1 111.7(3) . . ?
C9 C7 Si1 111.0(3) . . ?
C10 C7 Si1 109.6(3) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C16 118.0(4) . . ?
C12 C11 C2 122.9(4) . . ?
C16 C11 C2 119.1(4) . . ?
C11 C12 C13 121.5(4) . . ?
C11 C12 H12A 119.3 . . ?
C13 C12 H12A 119.3 . . ?
C14 C13 C12 119.9(4) . . ?
C14 C13 H13A 120.1 . . ?
C12 C13 H13A 120.1 . . ?
C13 C14 C15 119.4(4) . . ?
C13 C14 H14A 120.3 . . ?
C15 C14 H14A 120.3 . . ?
C14 C15 C16 120.5(4) . . ?
C14 C15 H15A 119.7 . . ?
C16 C15 H15A 119.7 . . ?
C11 C16 C15 120.7(4) . . ?
C11 C16 H16A 119.7 . . ?
C15 C16 H16A 119.7 . . ?
C18 C17 C22 117.7(4) . . ?
C18 C17 C3 119.1(4) . . ?
C22 C17 C3 123.2(4) . . ?
C17 C18 C19 121.6(4) . . ?
C17 C18 H18A 119.2 . . ?
C19 C18 H18A 119.2 . . ?
C20 C19 C18 119.8(4) . . ?
C20 C19 H19A 120.1 . . ?
C18 C19 H19A 120.1 . . ?
C21 C20 C19 119.1(4) . . ?
C21 C20 H20A 120.5 . . ?
C19 C20 H20A 120.5 . . ?
C20 C21 C22 121.3(4) . . ?
C20 C21 H21A 119.4 . . ?
C22 C21 H21A 119.4 . . ?
C21 C22 C17 120.5(4) . . ?
C21 C22 H22A 119.8 . . ?
C17 C22 H22A 119.8 . . ?
C4 Si2 C24 112.31(17) . . ?
C4 Si2 C23 115.64(17) . . ?
C24 Si2 C23 104.50(19) . . ?
C4 Si2 C25 111.44(18) . . ?
C24 Si2 C25 105.31(18) . . ?
C23 Si2 C25 106.87(18) . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C28 109.3(3) . . ?
C26 C25 C27 108.9(3) . . ?
C28 C25 C27 107.2(3) . . ?
C26 C25 Si2 111.1(3) . . ?
C28 C25 Si2 109.7(3) . . ?
C27 C25 Si2 110.6(3) . . ?
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 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C31 Ru1 C32 38.11(14) . . ?
C31 Ru1 C3 177.13(14) . . ?
C32 Ru1 C3 140.87(14) . . ?
C31 Ru1 C2 142.27(14) . . ?
C32 Ru1 C2 179.02(14) . . ?
C3 Ru1 C2 38.69(13) . . ?
C31 Ru1 C30 38.17(14) . . ?
C32 Ru1 C30 63.55(15) . . ?
C3 Ru1 C30 144.67(14) . . ?
C2 Ru1 C30 117.31(14) . . ?
C31 Ru1 C33 63.50(14) . . ?
C32 Ru1 C33 37.98(14) . . ?
C3 Ru1 C33 117.38(14) . . ?
C2 Ru1 C33 142.64(14) . . ?
C30 Ru1 C33 63.05(14) . . ?
C31 Ru1 C29 62.93(14) . . ?
C32 Ru1 C29 62.93(14) . . ?
C3 Ru1 C29 119.57(14) . . ?
C2 Ru1 C29 118.03(14) . . ?
C30 Ru1 C29 37.22(14) . . ?
C33 Ru1 C29 37.46(14) . . ?
C31 Ru1 C4 140.31(14) . . ?
C32 Ru1 C4 112.29(14) . . ?
C3 Ru1 C4 36.94(13) . . ?
C2 Ru1 C4 66.88(14) . . ?
C30 Ru1 C4 174.75(14) . . ?
C33 Ru1 C4 111.71(14) . . ?
C29 Ru1 C4 138.69(14) . . ?
C31 Ru1 C1 112.46(14) . . ?
C32 Ru1 C1 142.51(14) . . ?
C3 Ru1 C1 67.01(14) . . ?
C2 Ru1 C1 37.05(14) . . ?
C30 Ru1 C1 109.42(14) . . ?
C33 Ru1 C1 172.11(14) . . ?
C29 Ru1 C1 135.00(14) . . ?
C4 Ru1 C1 75.83(14) . . ?
C31 Ru1 Pb1 101.13(10) . . ?
C32 Ru1 Pb1 102.87(10) . . ?
C3 Ru1 Pb1 76.29(10) . . ?
C2 Ru1 Pb1 76.22(10) . . ?
C30 Ru1 Pb1 131.01(10) . . ?
C33 Ru1 Pb1 134.46(10) . . ?
C29 Ru1 Pb1 163.73(10) . . ?
C4 Ru1 Pb1 51.96(9) . . ?
C1 Ru1 Pb1 51.79(9) . . ?
C30 C29 C33 108.3(3) . . ?
C30 C29 C34 125.9(4) . . ?
C33 C29 C34 124.9(4) . . ?
C30 C29 Ru1 70.1(2) . . ?
C33 C29 Ru1 70.1(2) . . ?
C34 C29 Ru1 133.6(3) . . ?
C29 C30 C31 107.9(3) . . ?
C29 C30 C35 127.1(4) . . ?
C31 C30 C35 124.4(4) . . ?
C29 C30 Ru1 72.7(2) . . ?
C31 C30 Ru1 69.8(2) . . ?
C35 C30 Ru1 130.4(3) . . ?
C32 C31 C30 108.0(3) . . ?
C32 C31 C36 124.7(4) . . ?
C30 C31 C36 126.4(4) . . ?
C32 C31 Ru1 71.1(2) . . ?
C30 C31 Ru1 72.0(2) . . ?
C36 C31 Ru1 131.2(3) . . ?
C31 C32 C33 108.1(3) . . ?
C31 C32 C37 123.9(4) . . ?
C33 C32 C37 127.0(4) . . ?
C31 C32 Ru1 70.8(2) . . ?
C33 C32 Ru1 72.1(2) . . ?
C37 C32 Ru1 131.9(3) . . ?
C32 C33 C29 107.7(3) . . ?
C32 C33 C38 125.4(4) . . ?
C29 C33 C38 126.1(3) . . ?
C32 C33 Ru1 69.9(2) . . ?
C29 C33 Ru1 72.4(2) . . ?
C38 C33 Ru1 131.4(3) . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O3 Li1 O4 115.3(4) . . ?
O3 Li1 O1 111.9(4) . . ?
O4 Li1 O1 104.5(4) . . ?
O3 Li1 O2 106.3(4) . . ?
O4 Li1 O2 106.3(4) . . ?
O1 Li1 O2 112.6(4) . . ?
C42 O1 C39 108.9(4) . . ?
C42 O1 Li1 129.1(4) . . ?
C39 O1 Li1 121.8(4) . . ?
O1 C39 C40 105.9(4) . . ?
O1 C39 H39A 110.6 . . ?
C40 C39 H39A 110.6 . . ?
O1 C39 H39B 110.6 . . ?
C40 C39 H39B 110.6 . . ?
H39A C39 H39B 108.7 . . ?
C39 C40 C41 102.1(5) . . ?
C39 C40 H40A 111.3 . . ?
C41 C40 H40A 111.3 . . ?
C39 C40 H40B 111.3 . . ?
C41 C40 H40B 111.3 . . ?
H40A C40 H40B 109.2 . . ?
C42 C41 C40 102.1(5) . . ?
C42 C41 H41A 111.4 . . ?
C40 C41 H41A 111.4 . . ?
C42 C41 H41B 111.4 . . ?
C40 C41 H41B 111.4 . . ?
H41A C41 H41B 109.2 . . ?
O1 C42 C41 107.2(5) . . ?
O1 C42 H42A 110.3 . . ?
C41 C42 H42A 110.3 . . ?
O1 C42 H42B 110.3 . . ?
C41 C42 H42B 110.3 . . ?
H42A C42 H42B 108.5 . . ?
C43 O2 C46 109.6(3) . . ?
C43 O2 Li1 124.7(3) . . ?
C46 O2 Li1 122.3(3) . . ?
O2 C43 C44 105.5(4) . . ?
O2 C43 H43A 110.6 . . ?
C44 C43 H43A 110.6 . . ?
O2 C43 H43B 110.6 . . ?
C44 C43 H43B 110.6 . . ?
H43A C43 H43B 108.8 . . ?
C45 C44 C43 101.9(4) . . ?
C45 C44 H44A 111.4 . . ?
C43 C44 H44A 111.4 . . ?
C45 C44 H44B 111.4 . . ?
C43 C44 H44B 111.4 . . ?
H44A C44 H44B 109.2 . . ?
C46 C45 C44 101.6(4) . . ?
C46 C45 H45A 111.4 . . ?
C44 C45 H45A 111.4 . . ?
C46 C45 H45B 111.4 . . ?
C44 C45 H45B 111.4 . . ?
H45A C45 H45B 109.3 . . ?
O2 C46 C45 104.4(3) . . ?
O2 C46 H46A 110.9 . . ?
C45 C46 H46A 110.9 . . ?
O2 C46 H46B 110.9 . . ?
C45 C46 H46B 110.9 . . ?
H46A C46 H46B 108.9 . . ?
C47 O3 C50 106.8(3) . . ?
C47 O3 Li1 125.6(3) . . ?
C50 O3 Li1 125.4(3) . . ?
O3 C47 C48 103.7(4) . . ?
O3 C47 H47A 111.0 . . ?
C48 C47 H47A 111.0 . . ?
O3 C47 H47B 111.0 . . ?
C48 C47 H47B 111.0 . . ?
H47A C47 H47B 109.0 . . ?
C47 C48 C49 102.9(4) . . ?
C47 C48 H48A 111.2 . . ?
C49 C48 H48A 111.2 . . ?
C47 C48 H48B 111.2 . . ?
C49 C48 H48B 111.2 . . ?
H48A C48 H48B 109.1 . . ?
C48 C49 C50 104.1(3) . . ?
C48 C49 H49A 110.9 . . ?
C50 C49 H49A 110.9 . . ?
C48 C49 H49B 110.9 . . ?
C50 C49 H49B 110.9 . . ?
H49A C49 H49B 109.0 . . ?
O3 C50 C49 106.2(3) . . ?
O3 C50 H50A 110.5 . . ?
C49 C50 H50A 110.5 . . ?
O3 C50 H50B 110.5 . . ?
C49 C50 H50B 110.5 . . ?
H50A C50 H50B 108.7 . . ?
C51 O4 C54 109.2(3) . . ?
C51 O4 Li1 128.3(3) . . ?
C54 O4 Li1 121.9(4) . . ?
O4 C51 C52 105.3(4) . . ?
O4 C51 H51A 110.7 . . ?
C52 C51 H51A 110.7 . . ?
O4 C51 H51B 110.7 . . ?
C52 C51 H51B 110.7 . . ?
H51A C51 H51B 108.8 . . ?
C51 C52 C53 101.2(4) . . ?
C51 C52 H52A 111.5 . . ?
C53 C52 H52A 111.5 . . ?
C51 C52 H52B 111.5 . . ?
C53 C52 H52B 111.5 . . ?
H52A C52 H52B 109.3 . . ?
C54 C53 C52 102.3(4) . . ?
C54 C53 H53A 111.3 . . ?
C52 C53 H53A 111.3 . . ?
C54 C53 H53B 111.3 . . ?
C52 C53 H53B 111.3 . . ?
H53A C53 H53B 109.2 . . ?
O4 C54 C53 106.3(4) . . ?
O4 C54 H54A 110.5 . . ?
C53 C54 H54A 110.5 . . ?
O4 C54 H54B 110.5 . . ?
C53 C54 H54B 110.5 . . ?
H54A C54 H54B 108.7 . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.949
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.140
_chemical_properties_physical    ', Air-sensitive,Moisture-sensitive'
