Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex.
Carsch, Kurtis M.; North, Sasha C.; DiMucci, Ida M.; Iliescu, Andrei; Vojáčková, Petra; Khazanov, Thomas; Zheng, Shao-Liang; Cundari, Thomas R.; Lancaster, Kyle M.; Betley, Theodore A.; Chemical science 14 (2023) 10847–10860; doi:10.1039/d3sc03641c

data_1569982
_publ_section_title
;
 Nitrene transfer from a sterically confined copper nitrenoid dipyrrin
 complex.
;
_journal_issue                   39
_journal_name_full               'Chemical science'
_journal_page_first              10847
_journal_page_last               10860
_journal_paper_doi               10.1039/d3sc03641c
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C65 H41 Cu F6 N2'
_chemical_formula_weight         1027.54
_chemical_name_systematic        ArFLCu
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-04-29 deposited with the CCDC.	2023-09-07 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEXII CCD'
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_diffrn_reflns_Laue_measured_fraction_full 0.977
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_diffrn_reflns_theta_max         25.068
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
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_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.031
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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^)+(0.0476P)^2^+1.2404P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3sc03641c2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 1569981--1569982.cif.'
_cod_original_cell_volume        5090(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1569982
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_shelx_res_checksum              48031
_shelx_hkl_checksum              50230
_shelx_fab_checksum              51135