Photocatalytic Splitting of CS2 to S8 and a Carbon-Sulfur Polymer Catalyzed by a Bimetallic Ruthenium(II) Compound with a Tertiary Amine Binding Site: Toward Photocatalytic Splitting of CO2?
Konstantin Livanov; Vedichi Madhu; Ekambaram Balaraman; Linda J. W. Shimon; Yael Diskin-Posner; Ronny Neumann; Inorganic Chemistry 50 (2011) 11273–11275; doi:10.1021/ic2008045

data_4326826
_publ_section_title
;
 Photocatalytic Splitting of CS2 to S8 and a Carbon-Sulfur Polymer
 Catalyzed by a Bimetallic Ruthenium(II) Compound with a Tertiary Amine
 Binding Site: Toward Photocatalytic Splitting of CO2?
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11273
_journal_page_last               11275
_journal_paper_doi               10.1021/ic2008045
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C46 H48 N6 Ru2, 4(B F4)'
_chemical_formula_sum            'C46 H48 B4 F16 N6 Ru2'
_chemical_formula_weight         1234.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.570(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6960(7)
_cell_length_b                   18.5791(7)
_cell_length_c                   16.7712(8)
_cell_measurement_reflns_used    23781
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.91
_cell_measurement_theta_min      1.68
_cell_volume                     4992.0(4)
_computing_cell_refinement       'Bruker Apex2'
_computing_data_collection       'Bruker Apex2'
_computing_data_reduction        'Bruker Apex2'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker KappaApex2 CCD'
_diffrn_measurement_method       'phi and omega 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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23781
_diffrn_reflns_theta_full        28.91
_diffrn_reflns_theta_max         28.91
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_T_max  0.9656
_exptl_absorpt_correction_T_min  0.9328
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex2'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_description       prism
_exptl_crystal_F_000             2472
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.470
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         6575
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.340
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0315P)^2^+17.1928P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0811
_reflns_number_gt                5378
_reflns_number_total             6575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2008045_si_004.cif
_cod_data_source_block           n236
_cod_database_code               4326826