Steric augmentation of three-coordinate Cu(i) β-diketiminate isocyanide chromophores to achieve microsecond excited-state lifetime
Kumar, Ashish; Kim, Dooyoung; Dunphy, Sean P.; Lewis, Erin N.; Figueroa, Joshua S.; Teets, Thomas S.; Chemical Science  (2026) –; doi:10.1039/D5SC09786J

data_1576648
_publ_section_title
;
 Steric augmentation of three-coordinate Cu(i) &#x3b2;-diketiminate
 isocyanide chromophores to achieve microsecond excited-state lifetime.
;
_journal_issue                   15
_journal_name_full               'Chemical science'
_journal_page_first              7659
_journal_page_last               7666
_journal_paper_doi               10.1039/d5sc09786j
_journal_volume                  17
_journal_year                    2026
_chemical_formula_sum            'C67 H86 Cu N3'
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_space_group_crystal_system      orthorhombic
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2025-06-14 deposited with the CCDC.	2026-02-17 downloaded from the CCDC.
;
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_cell_formula_units_Z            4
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_cell_measurement_theta_max      26.99
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0382
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; 
 Flack x determined using 4809 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.006(3)
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_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^)+(0.0503P)^2^+0.3319P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                11845
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_cod_data_source_file            d5sc09786j2.cif
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_cod_depositor_comments
'Adding full bibliography for 1576646--1576653.cif.'
_cod_database_code               1576648
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_shelx_estimated_absorpt_t_max   0.921
_shelx_res_checksum              12204