Mutual transformation between mono- and binuclear ruthenium complexes and their reactions with iminobis(diisopropylphosphinesulfide) ligand
Ai-Quan Jia; Qing Ma; Hua-Tian Shi; Qun Chen; Wa-Hung Leung; Qian-Feng Zhang; Inorganica Chimica Acta 392 (2012) 99–102; doi:10.1016/j.ica.2012.05.036

data_1512665
_publ_section_title
;
 Mutual transformation between mono- and binuclear ruthenium complexes and
 their reactions with iminobis(diisopropylphosphinesulfide) ligand
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              99
_journal_page_last               102
_journal_paper_doi               10.1016/j.ica.2012.05.036
_journal_volume                  392
_journal_year                    2012
_chemical_formula_sum            'C57 H47 Cl6 O2 P3 Ru2'
_chemical_formula_weight         1271.70
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 94.111(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.128(6)
_cell_length_b                   13.514(6)
_cell_length_c                   31.156(15)
_cell_measurement_reflns_used    9069
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.18
_cell_measurement_theta_min      2.42
_cell_volume                     5513(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            33274
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    0.967
_exptl_absorpt_correction_T_max  0.8944
_exptl_absorpt_correction_T_min  0.6068
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.673
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.829
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     686
_refine_ls_number_reflns         12463
_refine_ls_number_restraints     198
_refine_ls_restrained_S_all      0.825
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.6000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1239
_reflns_number_gt                9499
_reflns_number_total             12463
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-392-99-102-1.cif
_cod_data_source_block           p21n
_cod_original_cell_volume        5513(5)
_cod_original_sg_symbol_H-M      'P2(1)/n  '
_cod_database_code               1512665