Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.
Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas; Journal of the American Chemical Society  (2020) –; doi:10.1021/jacs.0c02234

data_4134856
_publ_section_title
;
 Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore
 ligands - Expanded \p system leads to unusually deep red emitting
 Cu<sup>I</sup> compounds.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c02234
_journal_year                    2020
_chemical_formula_moiety         'C42 H46 Cu N'
_chemical_formula_sum            'C42 H46 Cu N'
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_cell_length_c                   21.429(4)
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    100(2)
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_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0452
_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^)+(0.0422P)^2^+4.9700P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             16037
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja0c02234_si_007.cif
_cod_data_source_block           lbw047_a
_cod_original_cell_volume        3367.1(19)
_cod_database_code               4134856
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.762
_shelx_estimated_absorpt_t_max   0.865
_shelx_res_checksum              32922
_shelx_hkl_checksum              96184