Photophysical Properties of Highly Luminescent Copper(I) Halide Complexes Chelated with 1,2-Bis(diphenylphosphino)benzene
Akira Tsuboyama; Katsuaki Kuge; Manabu Furugori; Shinjiro Okada; Mikio Hoshino; Kazunori Ueno; Inorganic Chemistry 46 (2007) 1992–2001; doi:10.1021/ic0608086

data_4306851
_publ_contact_author_email       tsuboyama.akira@canon.co.jp
_publ_contact_author_fax         'ENTER FAX NUMBER'
_publ_contact_author_name        'Akira Tsuboyama'
_publ_contact_author_phone       +81-3-3758-2111
_publ_section_title
;
Photophysical Properties of Highly Luminescent Copper(I) Halide Complexes
Chelated with 1,2-Bis(diphenylphosphino)benzene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1992
_journal_page_last               2001
_journal_paper_doi               10.1021/ic0608086
_journal_volume                  46
_journal_year                    2007
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C48 H40 Cu I P3 '
_chemical_formula_sum            'C48 H40 Cu I P3'
_chemical_formula_weight         900.22
_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'
_audit_creation_date             2005-01-25
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                90
_cell_angle_beta                 99.60(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.11(1)
_cell_length_b                   14.67(1)
_cell_length_c                   18.33(2)
_cell_measurement_reflns_used    34096
_cell_measurement_temperature    100.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     4006(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9841
_diffrn_measured_fraction_theta_max 0.9841
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            35524
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.470
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1820.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         5.36
_refine_diff_density_min         -3.69
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.'
_refine_ls_abs_structure_Flack   0.029(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.269
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1034
_refine_ls_number_reflns         35498
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 0.5000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0820
_reflns_number_gt                30162
_reflns_number_total             35498
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0608086si20060511_082931.cif
_cod_data_source_block           '_CudppbPPh3I'
_cod_original_cell_volume        4004(5)
_cod_original_formula_sum        'C48 H40 Cu I P3 '
_cod_database_code               4306851