Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges
Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki; Organometallics 25 (2006) 4835–; doi:10.1021/om060449m

data_4074181
_publ_section_title
;
 Synthesis of Oxo- and Sulfido-Bridged Germanium&#x2212;Ruthenium
 Complexes and Reactions on the Chalcogenido Bridges
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4835
_journal_paper_doi               10.1021/om060449m
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C52 H54 Cl Ge O P Ru S, 0.5(C H Cl3)'
_chemical_formula_sum            'C52.5 H54 Cl2.5 Ge O P Ru S'
_chemical_formula_weight         1026.33
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.69(3)
_cell_angle_beta                 90.14(3)
_cell_angle_gamma                91.929(16)
_cell_formula_units_Z            4
_cell_length_a                   15.088(9)
_cell_length_b                   17.308(12)
_cell_length_c                   19.953(19)
_cell_measurement_reflns_used    235
_cell_measurement_temperature    203.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5037(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 12.20
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Quantum'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            72080
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.137
_exptl_absorpt_correction_T_max  0.893
_exptl_absorpt_correction_T_min  0.816
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2106.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.53
_refine_diff_density_min         -1.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1207
_refine_ls_number_reflns         22918
_refine_ls_R_factor_gt           0.0633
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0008Fo^2^ + 2.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1591
_reflns_number_gt                17684
_reflns_number_total             22918
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060449msi20060523_080229.cif
_cod_data_source_block           '_complex17'
_cod_depositor_comments
;

2026-02-27
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_weight         2052.66
_cod_original_formula_moiety
'2(C52 H54 Cl Ge O P Ru S), C0.65 Cl1.95, C0.35 Cl1.05'
_cod_original_formula_units_Z            2
_cod_original_formula_sum        'C105 H108 Cl5 Ge2 O2 P2 Ru2 S2 '
_cod_database_code               4074181