Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties
Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki; Organometallics 25 (2006) 2547–; doi:10.1021/om060066o

data_4075140
_publ_section_title
;
 Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear
 Ammonia Complex Bearing P&#x2212;P&#x2212;O Facial Tridentate Ligands and
 Oxametallacycle Moieties
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2547
_journal_paper_doi               10.1021/om060066o
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C71 H81 Cl3 O18 P4 Ru2 '
_chemical_formula_sum            'C71 H81 Cl3 O18 P4 Ru2'
_chemical_formula_weight         1654.80
_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                103.559(4)
_cell_angle_beta                 90.982(4)
_cell_angle_gamma                95.869(4)
_cell_formula_units_Z            2
_cell_length_a                   13.222(4)
_cell_length_b                   13.403(4)
_cell_length_c                   24.012(7)
_cell_measurement_reflns_used    8054
_cell_measurement_temperature    213.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     4111(2)
_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    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32109
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.603
_exptl_absorpt_correction_T_max  0.886
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1700.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         5.75
_refine_diff_density_min         -1.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     965
_refine_ls_number_reflns         14834
_refine_ls_R_factor_gt           0.0786
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0090Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2277
_reflns_number_gt                14703
_reflns_number_total             17826
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060066osi20060123_035613.cif
_cod_data_source_block           '__complex_4b'
_cod_original_formula_sum        'C71 H81 Cl3 O18 P4 Ru2 '
_cod_database_code               4075140