New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity
Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M.; New Journal of Chemistry 44 (2020) 10924–10932; doi:10.1039/D0NJ02013C

data_7059651
_publ_section_title
;
 New silver (thio)semicarbazide derivatives: synthesis, structural
 features, and antimicrobial activity
;
_journal_issue                   26
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10924
_journal_page_last               10932
_journal_paper_doi               10.1039/D0NJ02013C
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C14 H12 N4 O3'
_chemical_formula_weight         284.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-04-22 deposited with the CCDC.	2020-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'BRUKER SMART (Bruker, 2014)'
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_computing_molecular_graphics    'Mercury 4.1.0'
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_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.438
_diffrn_reflns_theta_min         3.162
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_exptl_absorpt_correction_type   multi-scan
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.038
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_refine_ls_number_restraints     1
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_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0406
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0484P)^2^+0.1885P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1006
_refine_ls_wR_factor_ref         0.1133
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1964
_reflns_number_total             2760
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj02013c2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059649--7059651.cif.

 Adding full bibliography for 7059649--7059651.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7059651
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.970
_shelx_estimated_absorpt_t_max   0.990
_shelx_res_checksum              52980