Oxygen Atom Transfer Catalytic Property of Oxorhenium(V) Complex with 2-Methylquinolin-8-ylamide and Tetrachlorocatecholate
Ohashi, Tetuya; Miyashita, Yoshitaro; Fujisawa, Kiyoshi; Okamoto, Ken-ichi; Chemistry Letters 35 (2006) 664–; doi:10.1246/cl.2006.664

data_8000123
_publ_section_title
;
 Oxygen Atom Transfer Catalytic Property of Oxorhenium(V) Complex with
 2-Methylquinolin-8-ylamide and Tetrachlorocatecholate
;
_journal_issue                   6
_journal_name_full               'Chemistry Letters'
_journal_page_first              664
_journal_paper_doi               10.1246/cl.2006.664
_journal_volume                  35
_journal_year                    2006
_chemical_formula_moiety         'C37 H30 Cl4 N2 O4 P Re '
_chemical_formula_sum            'C37 H30 Cl4 N2 O4 P Re'
_chemical_formula_weight         925.65
_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                77.653(5)
_cell_angle_beta                 84.442(8)
_cell_angle_gamma                84.711(7)
_cell_formula_units_Z            2
_cell_length_a                   9.244(3)
_cell_length_b                   11.851(3)
_cell_length_c                   17.204(5)
_cell_measurement_temperature    293.1
_cell_volume                     1827.5(9)
_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_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Rigaku Quantum'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14490
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.704
_exptl_absorpt_correction_T_max  0.513
_exptl_absorpt_correction_T_min  0.249
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             912.00
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.18
_refine_diff_density_min         -1.48
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     472
_refine_ls_number_reflns         7370
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0017Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0990
_reflns_number_gt                7370
_reflns_number_total             14491
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            35-664sup1.cif
_cod_data_source_block           '_Template_texray.inf'
_cod_original_formula_sum        'C37 H30 Cl4 N2 O4 P Re '
_cod_database_code               8000123