Synthesis and Reactivity of Tris(7-azaindolyl)boratoruthenium Complex. Comparison with Poly(methimazolyl)borate Analogue
Saito, Tomoyuki; Kuwata, Shigeki; Ikariya, Takao; Chemistry Letters 35 (2006) 1224–; doi:10.1246/cl.2006.1224

data_8000094
_publ_section_title
;
 Synthesis and Reactivity of Tris(7-azaindolyl)boratoruthenium Complex.
 Comparison with Poly(methimazolyl)borate Analogue
;
_journal_issue                   11
_journal_name_full               'Chemistry Letters'
_journal_page_first              1224
_journal_paper_doi               10.1246/cl.2006.1224
_journal_volume                  35
_journal_year                    2006
_chemical_formula_moiety         'C32 H31 B N6 O Ru '
_chemical_formula_sum            'C32 H31 B N6 O Ru'
_chemical_formula_weight         627.52
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.960(6)
_cell_length_b                   18.284(8)
_cell_length_c                   22.604(10)
_cell_measurement_reflns_used    16493
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.1
_cell_volume                     5770(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 29.26
_diffrn_measured_fraction_theta_full 0.9974
_diffrn_measured_fraction_theta_max 0.9385
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.153
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            52745
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         31.36
_exptl_absorpt_coefficient_mu    0.580
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2576.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.49
_refine_diff_density_min         -1.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     400
_refine_ls_number_reflns         6613
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.8000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2150
_reflns_number_gt                2722
_reflns_number_total             8918
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            35-1224sup1.cif
_cod_data_source_block           '___Compound3'
_cod_original_cell_volume        5769.5(44)
_cod_original_formula_sum        'C32 H31 B N6 O Ru '
_cod_database_code               8000094