Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives
Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal; RSC Advances 11 (2021) 28685–28697; doi:10.1039/D1RA05095H

data_7243442
_publ_section_title
;
 Synthesis, structure and in vitro antiproliferative effects of
 alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and
 ferrocene-containing derivatives
;
_journal_issue                   46
_journal_name_full               'RSC Advances'
_journal_page_first              28685
_journal_page_last               28697
_journal_paper_doi               10.1039/D1RA05095H
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C14 H9 Cl Fe N2 S'
_chemical_formula_sum            'C14 H9 Cl Fe N2 S'
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;
2020-09-29 deposited with the CCDC.	2021-08-16 downloaded from the CCDC.
;
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_diffrn_measurement_device       'three-circle diffractometer'
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_diffrn_source                   'microfocus sealed X-ray tube'
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_exptl_absorpt_coefficient_mu    1.559
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.734
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_refine_diff_density_max         0.344
_refine_diff_density_min         -0.180
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
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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^)+(0.0200P)^2^+0.3451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0445
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2128
_reflns_number_total             2191
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra05095h2.cif
_cod_data_source_block           AT960_0m_a
_cod_original_cell_volume        629.4(3)
_cod_database_code               7243442
_publcif_datablock.id            {db2e2560-91f0-4569-939c-04009e993292}
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.811
_shelx_estimated_absorpt_t_max   0.860
_shelx_res_checksum              37932
_publcif_funding_html
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