Synthesis, structure and characterization of new dithiocarbazate-based mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic activity and DFT studies
Banerjee, Atanu; Mohanty, Monalisa; Lima, Sudhir; Samanta, Rajib; Garribba, Eugenio; Sasamori, Takahiro; Dinda, Rupam; New Journal of Chemistry 44 (2020) 10946–10963; doi:10.1039/D0NJ01246G

data_7059664
_publ_section_title
;
 Synthesis, structure and characterization of new dithiocarbazate-based
 mixed ligand oxidovanadium(iv) complexes: DNA/HSA interaction, cytotoxic
 activity and DFT studies
;
_journal_issue                   26
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10946
_journal_page_last               10963
_journal_paper_doi               10.1039/D0NJ01246G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C23 H18 N4 O2 S2 V'
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_audit_update_record
;
2020-02-28 deposited with the CCDC.	2020-06-01 downloaded from the CCDC.
;
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_computing_molecular_graphics
'Yadokari-XG 2011 (Wakita Nemoto et al., 2011)'
_computing_publication_material
'Yadokari-XG 2011 (Wakita,Nemoto et al., 2011)'
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_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    0.676
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 MULABS - Empirical Correction for Absorption Anisotropy.
 Blessing, R. H., Acta Cryst., A51, 33-38 (1995).
;
_exptl_crystal_colour            red
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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^)+(0.0676P)^2^+14.9908P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1997
_refine_ls_wR_factor_ref         0.2076
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3853
_reflns_number_total             4277
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj01246g2.cif
_cod_data_source_block           compound3
_cod_depositor_comments
;Adding full bibliography for 7059663--7059665.cif.

 Adding full bibliography for 7059663--7059665.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7059664
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_shelx_estimated_absorpt_t_min   0.849
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_shelx_res_checksum              48121