Synthesis and Reactivity of Diphosphine-Bridged Diruthenium Complexes
Miyake, Yoshihiro; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki; Organometallics 26 (2007) 3611–; doi:10.1021/om070216a

data_4073278
_publ_section_title
;
 Synthesis and Reactivity of Diphosphine-Bridged Diruthenium Complexes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3611
_journal_paper_doi               10.1021/om070216a
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C48 H55 Cl2 F6 O6.50 P2 Ru2 S2 '
_chemical_formula_sum            'C48 H55 Cl2 F6 O6.5 P2 Ru2 S2'
_chemical_formula_weight         1249.06
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.20(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.56(2)
_cell_length_b                   20.274(5)
_cell_length_c                   16.741(12)
_cell_measurement_reflns_used    93
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      1.8
_cell_volume                     5240(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.861
_diffrn_measured_fraction_theta_max 0.677
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            46608
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.65
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2532.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.70
_exptl_crystal_size_min          0.07
_refine_diff_density_max         5.17
_refine_diff_density_min         -1.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     616
_refine_ls_number_reflns         7936
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0020Fo^2^ + 2.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1973
_reflns_number_gt                5875
_reflns_number_total             7943
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om070216asi20070308_013450.cif
_cod_data_source_block           '__compound9'
_cod_original_cell_volume        5241(8)
_cod_original_formula_sum        'C48 H55 Cl2 F6 O6.50 P2 Ru2 S2 '
_cod_database_code               4073278