Highly Efficient Thermally Activated Delayed Fluorescence in Dinuclear Ag(I) Complexes with a Bis-Bidentate Tetraphosphane Bridging Ligand.
Chen, Jin; Teng, Teng; Kang, Liju; Chen, Xu-Lin; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong; Inorganic chemistry 55 (2016) 9528–9536; doi:10.1021/acs.inorgchem.6b00068

data_4347354
_publ_section_title
;
 Highly Efficient Thermally Activated Delayed Fluorescence in Dinuclear
 Ag(I) Complexes with a Bis-Bidentate Tetraphosphane Bridging Ligand.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9528
_journal_page_last               9536
_journal_paper_doi               10.1021/acs.inorgchem.6b00068
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C90 H72 Ag2 I2 P6'
_chemical_formula_weight         1808.83
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_cell_measurement_reflns_used    5950
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         76.504
_diffrn_reflns_theta_min         3.045
_exptl_absorpt_coefficient_mu    11.889
_exptl_absorpt_correction_T_max  0.383
_exptl_absorpt_correction_T_min  0.180
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.586
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_refine_diff_density_rms         0.235
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7810
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0651
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1376P)^2^+1.5443P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1723
_refine_ls_wR_factor_ref         0.1938
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6568
_reflns_number_total             7810
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b00068_si_004.cif
_cod_data_source_block           compound3
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4347354
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.180
_shelx_estimated_absorpt_t_max   0.383
_shelx_res_checksum              62351
_shelx_hkl_checksum              1121