Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free
Vincent T. Annibale; Daniel A. Dalessandro; Datong Song; Journal of the American Chemical Society 135 (2013) 16175–16183; doi:10.1021/ja4073832

data_4121016
_publ_section_title
;
 Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H
 Activations: From Spectator Metals to Metal-Free
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16175
_journal_page_last               16183
_journal_paper_doi               10.1021/ja4073832
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C66 H78 Cu2 N6 O2'
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_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_Hall  '-C 2yc'
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    0.943
_exptl_crystal_description       Plate
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_exptl_crystal_size_max          0.42
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.826
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1417P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                10659
_reflns_number_total             17946
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja4073832_si_002_5.cif
_cod_data_source_block           compound9
_cod_original_cell_volume        15700.7(13)
_cod_database_code               4121016
_shelxl_version_number           2013-4
_shelx_res_checksum              89229