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_4306848
_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_formula_moiety         'C60 H48 Cu2 I2 P4 '
_chemical_formula_sum            'C60 H48 Cu2 I2 P4'
_chemical_formula_weight         1273.84
_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             2004-04-08
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                90
_cell_angle_beta                 98.29(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.61(1)
_cell_length_b                   19.11(3)
_cell_length_c                   24.36(2)
_cell_measurement_reflns_used    34529
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5348(11)
_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    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9753
_diffrn_measured_fraction_theta_max 0.9753
_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  0.047
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            46171
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    2.109
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_correction_T_min  0.455
_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    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2528.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.56
_refine_diff_density_min         -1.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1321
_refine_ls_number_reflns         21811
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 0.3000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0670
_reflns_number_gt                10620
_reflns_number_total             21811
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0608086si20060511_082813.cif
_cod_data_source_block           '_040407'
_cod_original_cell_volume        5346(10)
_cod_original_formula_sum        'C60 H48 Cu2 I2 P4 '
_cod_database_code               4306848