Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.
Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh; Dalton transactions (Cambridge, England : 2003) 49 (2020) 1276–1291; doi:10.1039/c9dt04315b

data_7702975
_publ_section_title
;
 Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and
 its use as an O<sub>3</sub> donor metalloligand in the synthesis of
 Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic
 oxidase activities.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1276
_journal_page_last               1291
_journal_paper_doi               10.1039/c9dt04315b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C17 H16 Cl2 Cu Mn N2 O3'
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_space_group_crystal_system      monoclinic
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_audit_update_record
;
2019-12-12 deposited with the CCDC.	2019-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            GREEN
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_exptl_crystal_description       NEEDLE
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_refine_diff_density_max         1.981
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_refine_ls_R_factor_all          0.0979
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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^)+(0.0899P)^2^+44.7464P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2711
_refine_ls_wR_factor_ref         0.2730
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3124
_reflns_number_total             3343
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04315b2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'EMPIRICAL' was
changed to 'empirical' 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 7702975--7702978.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7702975
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_shelx_res_checksum              44641