Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions
Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.; New Journal of Chemistry 44 (2020) 2146–2154; doi:10.1039/C9NJ05200C

data_7059271
_publ_section_title
;
 Theoretical and experimental study of the coordination ability of
 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii),
 Mn(ii), Fe(iii) and Co(iii) ions
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2146
_journal_page_last               2154
_journal_paper_doi               10.1039/C9NJ05200C
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C10 H15 N5 O, 0.5(H2 O)'
_chemical_formula_sum            'C10 H16 N5 O1.5'
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_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
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_audit_update_record
;
2018-12-27 deposited with the CCDC.	2020-01-06 downloaded from the CCDC.
;
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_cell_volume                     1207.20(8)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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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^)+(0.0797P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2661
_reflns_number_total             3873
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj05200c2.cif
_cod_data_source_block           L
_cod_depositor_comments
'Adding full bibliography for 7059271--7059274.cif.'
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_original_formula_sum        'C10 H16 N5 O1.50'
_cod_database_code               7059271
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_shelx_estimated_absorpt_t_max   0.982
_shelx_res_checksum              2115