Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.
Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni; Journal of the American Chemical Society 137 (2015) 6758–6761; doi:10.1021/jacs.5b03977

data_4123699
_publ_section_title
;
 Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New
 Family of Mononuclear Cu-Based Efficient Catalysts.
;
_journal_issue                   21
_journal_name_full               'Journal of the American Chemical Society'
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_journal_page_last               6761
_journal_paper_doi               10.1021/jacs.5b03977
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C23 H46 Cu N6 O7'
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;
 Fullsphere data collection, phi and omega scans
;
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; 
 TWINABS Version 2008/0 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0434P)^2^+6.7409P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            ja5b03977_si_002.cif
_cod_data_source_block           L2_mo_CuL3_25
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4123699--4123701.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
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_shelx_res_checksum              78160
_shelx_hkl_checksum              60587