Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear copper(ii) complexes: phenoxazinone synthase-like activity and mechanistic study
Podder, Nirmalya; Mandal, Sukanta; New Journal of Chemistry 44 (2020) 12793–12805; doi:10.1039/D0NJ02558E

data_7059736
_publ_section_title
;
 Aerobic oxidation of 2-aminophenol catalysed by a series of mononuclear
 copper(ii) complexes: phenoxazinone synthase-like activity and
 mechanistic study
;
_journal_issue                   29
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              12793
_journal_page_last               12805
_journal_paper_doi               10.1039/D0NJ02558E
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C15 H11 Cl2 Cu N3, C H4 O'
_chemical_formula_sum            'C16 H15 Cl2 Cu N3 O'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_audit_update_record
;
2020-06-14 deposited with the CCDC.	2020-06-30 downloaded from the CCDC.
;
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'Ortep-3 for Windows ver 2014.1 University of Glasgow 2014'
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_diffrn_reflns_limit_l_min       -23
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;
SADABS-v.2.10 was used for absorption correction.
;
_exptl_crystal_colour            green
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0635P)^2^+0.8584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1351
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2163
_reflns_number_total             3246
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj02558e2.cif
_cod_data_source_block           complex1-MeOH
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_space_group_crystal_system' value 'Monoclinic' was
changed to 'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059736--7059738.cif.

 Adding full bibliography for 7059736--7059738.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7059736
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_shelx_estimated_absorpt_t_min   0.798
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_shelx_res_checksum              78871