Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes.
Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.; Inorganic chemistry 54 (2015) 11330–11338; doi:10.1021/acs.inorgchem.5b01950

data_4346694
_publ_section_title
;
 Influence of Copper Oxidation State on the Bonding and Electronic
 Structure of Cobalt-Copper Complexes.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11330
_journal_page_last               11338
_journal_paper_doi               10.1021/acs.inorgchem.5b01950
_journal_volume                  54
_journal_year                    2015
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C21 H24 Co Cu N7'
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_platon_squeeze_details
;
;
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;
 Refined as an inversion twin.
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0513P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                7673
_reflns_number_total             11161
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b01950_si_001.cif
_cod_data_source_block           30KeV_3_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3460.2(7)
_cod_database_code               4346694
_shelxl_version_number           2013-2
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_shelx_hkl_checksum              92823