Formation of an Iodide-Bridged Diruthenium Complex from [(η5-Ph4C4COH)(CO)2RuI] and [(Ph4C4CO)(CO)2Ru]2: An Efficient Catalyst for Alcohol Oxidation with Ag2O
Do, Youngshil; Ko, Soo-Byung; Hwang, In-Chul; Lee, Kyung-Eun; Lee, Soon W.; Park, Jaiwook; Organometallics 28 (2009) 4624–; doi:10.1021/om9003434

data_4069662
_publ_section_title
;
 Formation of an Iodide-Bridged Diruthenium Complex from
 [(\h5-Ph4C4COH)(CO)2RuI] and [(Ph4C4CO)(CO)2Ru]2: An Efficient Catalyst
 for Alcohol Oxidation with Ag2O
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4624
_journal_paper_doi               10.1021/om9003434
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C44 H37 Cl4 I O6 Ru2'
_chemical_formula_weight         1132.58
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 104.437(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.104(14)
_cell_length_b                   16.875(15)
_cell_length_c                   17.228(15)
_cell_measurement_temperature    243(2)
_cell_volume                     4534(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      243(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26009
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    1.627
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2232
_refine_diff_density_max         2.065
_refine_diff_density_min         -1.130
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     519
_refine_ls_number_reflns         9255
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          6.637
_refine_ls_shift/su_mean         0.150
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0916P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1327
_refine_ls_wR_factor_ref         0.1450
_reflns_number_gt                7004
_reflns_number_total             9255
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om9003434_si_002.cif
_cod_data_source_block           sad
_cod_database_code               4069662