Exploring (bio)catalytic activities of structurally characterised Cu(ii) and Mn(iii) complexes: histidine recognition and photocatalytic application of Cu(ii) complex and derived CuO nano-cubes.
Kumari, Babli; Kundu, Samapti; Ghosh, Kajari; Banerjee, Mahuya; Pradhan, Swapan Kumar; Islam, Sk Manirul; Brandão, Paula; Félix, Vítor; Das, Debasis; Dalton transactions (Cambridge, England : 2003) 47 (2018) 14008–14016; doi:10.1039/c8dt03007c

data_7047600
_publ_section_title
;
 Exploring (bio)catalytic activities of structurally characterised Cu(ii)
 and Mn(iii) complexes: histidine recognition and photocatalytic
 application of Cu(ii) complex and derived CuO nano-cubes.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14008
_journal_page_last               14016
_journal_paper_doi               10.1039/c8dt03007c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C15 H15 Cl Cu N2 O'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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2015-03-06 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
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'MERCURY (Macrae et al., 2008), Platon (Spek, 2009)'

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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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'89 images, \D\F 2.0\% '
'29 images, \D\F 2.0\% (2nd orientation)'
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_diffrn_reflns_av_R_equivalents  0.1046
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1159
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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^)+(0.0200P)^2^+15.1952P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1508
_refine_ls_wR_factor_ref         0.1663
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1763
_reflns_number_total             2567
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03007c2.cif
_cod_data_source_block           ddds144
_cod_depositor_comments
'Adding full bibliography for 7047600--7047601.cif.'
_cod_database_code               7047600
_shelx_shelxl_version_number     2014/7
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