Simple and extremely efficient blue emitters based on mononuclear Cu(i)-halide complexes with delayed fluorescence.
Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako; Dalton transactions (Cambridge, England : 2003) 43 (2014) 17317–17323; doi:10.1039/c4dt02709d

data_7032710
_publ_section_title
;
 Simple and extremely efficient blue emitters based on mononuclear
 Cu(i)-halide complexes with delayed fluorescence.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17317
_journal_page_last               17323
_journal_paper_doi               10.1039/c4dt02709d
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C42 H37 Cu I N P2'
_chemical_formula_sum            'C42 H37 Cu I N P2'
_chemical_formula_weight         808.16
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                100.657(5)
_cell_angle_beta                 92.322(5)
_cell_angle_gamma                94.296(3)
_cell_formula_units_Z            4
_cell_length_a                   11.641(3)
_cell_length_b                   16.112(5)
_cell_length_c                   19.967(6)
_cell_measurement_reflns_used    9468
_cell_measurement_temperature    200
_cell_measurement_theta_max      30.80
_cell_measurement_theta_min      1.76
_cell_volume                     3664.4(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla, et al., 2003)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
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_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.556
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.637
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1632.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
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_refine_diff_density_min         -0.960
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         16658
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0518P)^2^+10.8606P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1400
_reflns_number_gt                13582
_reflns_number_total             16658
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4dt02709d2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7032708--7032710.cif.'
_cod_original_cell_volume        3664.4(17)
_cod_database_code               7032710