Syntheses, structural characterization and photophysical properties of 4-(2-pyridyl)-1,2,3-triazole rhenium(i) complexes
Obata, Makoto; Kitamura, Asuka; Mori, Akemi; Kameyama, Chiaki; Czaplewska, Justyna A.; Tanaka, Rika; Kinoshita, Isamu; Kusumoto, Toshiyuki; Hashimoto, Hideki; Harada, Masafumi; Mikata, Yuji; Funabiki, Takuzo; Yano, Shigenobu; Dalton Transactions  (2008) 3292–3300; doi:10.1039/b718538c

data_7003676
_publ_section_title
;
 Syntheses, structural characterization and photophysical properties of
 4-(2-pyridyl)-1,2,3-triazole rhenium(i) complexes
;
_journal_issue                   25
_journal_name_full               'Dalton Transactions'
_journal_page_first              3292
_journal_page_last               3300
_journal_paper_doi               10.1039/b718538c
_journal_year                    2008
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C15 H20 N4 O6 '
_chemical_formula_sum            'C15 H20 N4 O6'
_chemical_formula_weight         352.35
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.247(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   11.560(4)
_cell_length_b                   5.4449(17)
_cell_length_c                   13.267(5)
_cell_measurement_reflns_used    2604
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     821.7(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6404
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.111
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.962
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             372.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     246
_refine_ls_number_reflns         2063
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0007Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0506
_reflns_number_gt                1765
_reflns_number_total             2063
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b718538c.txt
_cod_data_source_block           '__Glcpyta'
_cod_original_cell_volume        821.8(5)
_cod_original_formula_sum        'C15 H20 N4 O6 '
_cod_database_code               7003676