(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines
Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre; Med. Chem. Commun. 8 (2017) 103–; doi:10.1039/C6MD00501B

data_7119188
_publ_section_title
;
 (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60
 myeloid leukaemia cells and are cytotoxic towards tumor cell lines
;
_journal_issue                   1
_journal_name_full               'Med. Chem. Commun.'
_journal_page_first              103
_journal_paper_doi               10.1039/C6MD00501B
_journal_volume                  8
_journal_year                    2017
_chemical_formula_moiety         'C22 H20 Co N8 O2, 2 (Cl), 2 (H2 O)'
_chemical_formula_sum            'C22 H24 Cl2 Co N8 O4'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2015-05-19 deposited with the CCDC.
2016-10-19 downloaded from the CCDC.
;
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_computing_publication_material  'WinGX (Farrugia, 1999)'
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_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w and \f'
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_diffrn_reflns_av_unetI/netI     0.0314
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
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_refine_ls_number_reflns         2881
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0550
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_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^)+(0.0443P)^2^+2.4030P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0951
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2365
_reflns_number_total             2881
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6md00501b2.cif
_cod_data_source_block           nfjv3s
_cod_depositor_comments
'Adding full bibliography for 7119187--7119189.cif.'
_cod_original_cell_volume        2516.1(8)
_cod_database_code               7119188
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.872
_shelx_estimated_absorpt_t_max   0.920
_shelx_res_checksum              14938
_shelx_hkl_checksum              8305