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_4075141
_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         'C36 H42 Cl3 N O8 P2 Ru '
_chemical_formula_sum            'C36 H42 Cl3 N O8 P2 Ru'
_chemical_formula_weight         886.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.319(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.3423(13)
_cell_length_b                   11.7192(11)
_cell_length_c                   21.574(3)
_cell_measurement_reflns_used    19354
_cell_measurement_temperature    163.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     3899.2(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.080
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            30149
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.740
_exptl_absorpt_correction_T_max  0.929
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1816.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.01
_refine_diff_density_min         -1.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     491
_refine_ls_number_reflns         5429
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    346.5090    472.9610    145.4980
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0962
_reflns_number_gt                5392
_reflns_number_total             8611
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060066osi20060123_035613.cif
_cod_data_source_block           '_complex_5'
_cod_original_cell_volume        3899.1(7)
_cod_original_formula_sum        'C36 H42 Cl3 N O8 P2 Ru '
_cod_database_code               4075141