[μ-(3,4,5,6,7-η:1,9,10,11,12)-5,11-Di-<i>tert</i>-butyl-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.0^3,7^]dodecatetraenediyl]bis[dicarbonylruthenium(I)]
Zhu, Bolin; Acta Crystallographica Section E 68 (2012) m1164–; doi:10.1107/S1600536812033454

data_2236627
_publ_section_title
;
 [\m-(3,4,5,6,7-\h:1,9,10,11,12)-5,11-Di-<i>tert</i>-butyl-2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.0^3,7^]dodecatetraenediyl]bis[dicarbonylruthenium(I)]
;
_journal_coeditor_code           SU2478
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1164
_journal_paper_doi               10.1107/S1600536812033454
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ru2 (C22 H34 Si2) (C O)4]'
_chemical_formula_moiety         'C26 H34 O4 Ru2 Si2'
_chemical_formula_sum            'C26 H34 O4 Ru2 Si2'
_chemical_formula_weight         668.85
_chemical_name_systematic
;
[\m-(3,4,5,6,7-\h:1,9,10,11,12)-5,11-Di-<i>tert</i>-butyl-2,2,8,8-tetramethyl-
2,8-disilatricyclo[7.3.0.0^3,7^]dodecatetraenediyl]bis[dicarbonylruthenium(I)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.518(5)
_cell_angle_beta                 71.581(4)
_cell_angle_gamma                61.560(4)
_cell_formula_units_Z            2
_cell_length_a                   10.632(3)
_cell_length_b                   10.886(3)
_cell_length_c                   14.546(5)
_cell_measurement_reflns_used    3308
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.41
_cell_volume                     1384.0(7)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6921
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.207
_exptl_absorpt_correction_T_max  0.8397
_exptl_absorpt_correction_T_min  0.8212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             676
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.919
_refine_diff_density_min         -0.856
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         4802
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0409P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0766
_reflns_number_gt                4101
_reflns_number_total             4802
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            su2478.cif
_cod_data_source_block           I
_cod_database_code               2236627
_cod_database_fobs_code          2236627