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_4326827
_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         'C38 H38 N12 Ru2, 4(B F4), 4(H2 O)'
_chemical_formula_sum            'C38 H46 B4 F16 N12 O4 Ru2'
_chemical_formula_weight         1284.25
_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                 108.2960(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3580(2)
_cell_length_b                   18.9180(3)
_cell_length_c                   17.4920(3)
_cell_measurement_reflns_used    7993
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      33.14
_cell_measurement_theta_min      2.55
_cell_volume                     5139.44(14)
_computing_cell_refinement       HKL
_computing_data_collection       'Collect package Bruker-Nonius'
_computing_data_reduction        HKL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (Altmore et al, 1994)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full .998
_diffrn_measured_fraction_theta_max .998
_diffrn_measurement_device_type  'Bruker - Nonius Kappa CCD'
_diffrn_measurement_method       'Omega ans phi 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  0.036
_diffrn_reflns_av_sigmaI/netI    0.0388
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            10055
_diffrn_reflns_theta_full        33.14
_diffrn_reflns_theta_max         33.14
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_description       prism
_exptl_crystal_F_000             2568
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.50
_refine_diff_density_max         2.431
_refine_diff_density_min         -1.390
_refine_diff_density_rms         .140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         9799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0911P)^2^+11.0249P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1430
_refine_ls_wR_factor_ref         0.1584
_reflns_number_gt                7320
_reflns_number_total             9799
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2008045_si_005.cif
_cod_data_source_block           n277
_cod_original_sg_symbol_Hall     -C2yc
_cod_database_code               4326827