Synthesis of new Ag(i) and Cd(ii) hydrozanomide-based complexes with antibacterial and anticancer properties
Climova, Alina; Pivovarova, Ekaterina; Szczesio, Małgorzata; Gobis, Katarzyna; Korga-Plewko, Agnieszka; Iwan, Magdalena; Kordialik-Bogacka, Edyta; Ścieszka, Sylwia; Marek, Jaromir; Czylkowska, Agnieszka; RSC Advances 15 (2025) 19598–19609; doi:10.1039/D5RA02001H

data_7250546
_publ_section_title
;
 Synthesis of new Ag(i) and Cd(ii) hydrozanomide-based complexes with
 antibacterial and anticancer properties
;
_journal_issue                   25
_journal_name_full               'RSC Advances'
_journal_page_first              19598
_journal_page_last               19609
_journal_paper_doi               10.1039/D5RA02001H
_journal_volume                  15
_journal_year                    2025
_chemical_formula_sum            'C34 H36 Ag N13 O7'
_chemical_formula_weight         846.63
_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
;
2024-11-19 deposited with the CCDC.	2025-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.6690(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6968(2)
_cell_length_b                   16.4562(2)
_cell_length_c                   18.2059(3)
_cell_measurement_reflns_used    39607
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      32.2340
_cell_measurement_theta_min      2.7030
_cell_volume                     3500.56(9)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, Pilatus 300K'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.884
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            100678
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.884
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.142
_diffrn_reflns_theta_min         2.475
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.646
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.123a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_description       plate
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.488
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         10869
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+1.8781P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0638
_refine_ls_wR_factor_ref         0.0669
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9069
_reflns_number_total             10869
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ra02001h2.cif
_cod_data_source_block           KG83Ag_auto
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7250546
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.887
_shelx_estimated_absorpt_t_max   0.926
_shelx_res_checksum              65752