Lead-free, stable orange-red-emitting hybrid copper based organic-inorganic compounds.
Wang, Le; Sun, Haochen; Sun, Chun; Xu, Da; Tao, Jiaqi; Wei, Tong; Zhang, Zi-Hui; Zhang, Yonghui; Wang, Ziying; Bi, Wengang; Dalton transactions (Cambridge, England : 2003) 50 (2021) 2766–2773; doi:10.1039/d0dt04413j

data_7706498
_publ_section_title
;
 Lead-free, stable orange-red-emitting hybrid copper based
 organic-inorganic compounds.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2766
_journal_page_last               2773
_journal_paper_doi               10.1039/d0dt04413j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C32 H44 Cu4 I4 N4'
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_audit_update_record
;
2020-12-28 deposited with the CCDC.	2021-01-25 downloaded from the CCDC.
;
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_exptl_absorpt_coefficient_mu    27.548
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_refine_diff_density_max         3.111
_refine_diff_density_min         -2.826
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_refine_ls_abs_structure_details
;
 Twinning involves inversion, so Flack parameter cannot be determined
;
_refine_ls_extinction_coef       0.00015(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1691P)^2^+330.5826P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3028
_refine_ls_wR_factor_ref         0.3218
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.975
_reflns_number_gt                6635
_reflns_number_total             8068
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04413j2.cif
_cod_data_source_block           ZNZ5464_0m
_cod_depositor_comments
'Adding full bibliography for 7706497--7706498.cif.'
_cod_original_cell_volume        4088.1(6)
_cod_original_sg_symbol_H-M      'C c'
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