Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity.
Stevanović, Nevena; Zlatar, Matija; Novaković, Irena; Pevec, Andrej; Radanović, Dušanka; Matić, Ivana Z; Đorđić Crnogorac, Marija; Stanojković, Tatjana; Vujčić, Miroslava; Gruden, Maja; Sladić, Dušan; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar; Dalton transactions (Cambridge, England : 2003) 51 (2021) 185–196; doi:10.1039/d1dt03169d

data_7709052
_publ_section_title
;
 Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary
 ammonium moiety: synthesis, experimental and theoretical characterization
 and cytotoxic activity.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              185
_journal_page_last               196
_journal_paper_doi               10.1039/d1dt03169d
_journal_volume                  51
_journal_year                    2021
_chemical_formula_sum            'C10 H16 N10 O S Zn'
_chemical_formula_weight         389.76
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-11-08 deposited with the CCDC.	2021-11-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   10.2506(7)
_cell_length_c                   13.1685(13)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.7050
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_cell_volume                     1646.0(3)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
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_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_T_max  1.00000
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis PRO; Oxford Diffraction, 2009'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_description       prism
_exptl_crystal_F_000             800
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3779
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0343P)^2^+1.8652P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1230
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2489
_reflns_number_total             3779
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7709050--7709052.cif.'
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