Solution and solid behavior of mono and binuclear zinc(ii) and nickel(ii) complexes with dithiocarbazates: X-ray analysis, mass spectrometry and cytotoxicity against cancer cell lines
Cavalcante, Cássia de Q. O.; Arcanjo, Daniel da S.; Silva, Guilherme G. da; Oliveira, Diêgo M. de; Gatto, Claudia C.; New Journal of Chemistry 43 (2019) 11209–; doi:10.1039/C9NJ01814J

data_7058559
_publ_section_title
;
 Solution and solid behavior of mono and binuclear zinc(ii) and nickel(ii)
 complexes with dithiocarbazates: X-ray analysis, mass spectrometry and
 cytotoxicity against cancer cell lines
;
_journal_issue                   28
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11209
_journal_paper_doi               10.1039/C9NJ01814J
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C34 H32 Br2 Cl0 N6 O4 S4 Zn2'
_chemical_formula_sum            'C34 H32 Br2 Cl0 N6 O4 S4 Zn2'
_chemical_formula_weight         1007.45
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-03-26 deposited with the CCDC.    2019-06-21 downloaded from the CCDC.
;
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.5860
_cell_measurement_theta_min      2.4396
_cell_volume                     2048.78(14)
_computing_cell_refinement       'SAINT V8.18C (Bruker AXS Inc.)'
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_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0443
_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^)+(0.0503P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1151
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5327
_reflns_number_total             8367
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelx_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7058556--7058559.cif.'
_cod_database_code               7058559
_shelx_estimated_absorpt_t_min   0.229
_shelx_estimated_absorpt_t_max   0.734
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