Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands
Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars; CrystEngComm 25 (2023) 3922–3930; doi:10.1039/D3CE00417A

data_7246878
_publ_section_title
;
 Synthesis, structure diversity, and antimicrobial studies of Ag(i)
 complexes with quinoline-type ligands
;
_journal_issue                   27
_journal_name_full               CrystEngComm
_journal_page_first              3922
_journal_page_last               3930
_journal_paper_doi               10.1039/D3CE00417A
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C18 H12 Ag N4 O4, B F4'
_chemical_formula_sum            'C18 H12 Ag B F4 N4 O4'
_chemical_formula_weight         543.00
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2023-03-06 deposited with the CCDC.	2023-06-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.124(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8173(4)
_cell_length_b                   12.9566(6)
_cell_length_c                   14.7156(4)
_cell_measurement_reflns_used    31846
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      29.58
_cell_measurement_theta_min      1.00
_cell_volume                     1836.64(12)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2008)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
'CrystaMaker (CrystalMaker Software ltd., 2022)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT (Sheldrick, 2018)'
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II CCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14574
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.699
_diffrn_reflns_theta_min         2.635
_diffrn_source                   'sealed X-Ray tube'
_exptl_absorpt_coefficient_mu    1.175
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker, 2012)
Additional spherical absorption correction applied with mu*r =  0.2000
Lambda/2 correction factor = 0.0015
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.964
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.237
_exptl_crystal_size_mid          0.202
_exptl_crystal_size_min          0.122
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.399
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         2566
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0295
_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^)+(0.0267P)^2^+2.7313P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0697
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2316
_reflns_number_total             2566
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce00417a2.cif
_cod_data_source_block           am2
_cod_depositor_comments
'Adding full bibliography for 7246878--7246879.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7246878
_shelx_shelxl_version_number     2019/2
_shelx_estimated_absorpt_t_min   0.768
_shelx_estimated_absorpt_t_max   0.870
_shelx_res_checksum              32227
_shelx_hkl_checksum              2921