Synthesis, characterization, and cytotoxic and antimicrobial activities of mixed-ligand hydrazone complexes of variable valence VOz+ (z = 2, 3)
Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Mukhopadhyay, Titas Kumar; Acharya, Krishnendu; Ghosh, Sandipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas; New Journal of Chemistry 43 (2019) 16714–; doi:10.1039/C9NJ04171K

data_7058850
_publ_section_title
;
 Synthesis, characterization, and cytotoxic and antimicrobial activities
 of mixed-ligand hydrazone complexes of variable valence VOz+ (z = 2, 3)
;
_journal_issue                   42
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16714
_journal_paper_doi               10.1039/C9NJ04171K
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C24 H18 Cl N4 O4 V'
_chemical_formula_weight         512.81
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-09-10 deposited with the CCDC.    2019-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.060(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6574(4)
_cell_length_b                   7.6841(2)
_cell_length_c                   22.0915(7)
_cell_measurement_reflns_used    7242
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.027
_cell_measurement_theta_min      1.840
_cell_volume                     2148.27(11)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            7242
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.840
_exptl_absorpt_coefficient_mu    0.628
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_F_000             1048
_refine_diff_density_max         0.348
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         3795
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0473P)^2^+1.2584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.0967
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3344
_reflns_number_total             3795
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj04171k2.cif
_cod_data_source_block           8
_cod_depositor_comments
'Adding full bibliography for 7058848--7058850.cif.'
_cod_database_code               7058850
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              8634