Synthesis, characterisation and biological properties of a silver helicate which displays enhanced activity towards methicillin-resistant <i>Staphylococcus aureus</i> (MRSA).
Ndifon, Peltine; Pinder, Emma C.; Slater, Christopher H. L.; Clemett, Christopher J.; McRobbie, Auska A. T.; Rayner, Samuel P.; Wickramarachchi, Shalith; Bertal-Ngaage, Karima; Allison, Simon J.; Dowey, Rebecca; Harmer, Jane; Carr, Martin; Slate, Anthony J.; Phillips, Roger M.; Butler, Jonathan A.; Rice, Craig R.; Whitehead, Martina; Dalton transactions (Cambridge, England : 2003) 55 (2026) 3667–3671; doi:10.1039/d6dt00038j

data_7720260
_publ_section_title
;
 Synthesis, characterisation and biological properties of a silver
 helicate which displays enhanced activity towards methicillin-resistant
 <i>Staphylococcus aureus</i> (MRSA).
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3667
_journal_page_last               3671
_journal_paper_doi               10.1039/d6dt00038j
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C24 H17 Ag F3 N5 O3 S2'
_chemical_formula_weight         652.41
_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-2017/1
_audit_update_record
;
2025-12-17 deposited with the CCDC.	2026-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.5260(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8934(3)
_cell_length_b                   22.7852(6)
_cell_length_c                   9.4540(2)
_cell_measurement_reflns_used    9813
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.50
_cell_volume                     2500.99(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            26798
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.534
_diffrn_reflns_theta_min         2.381
_exptl_absorpt_coefficient_mu    1.033
_exptl_absorpt_correction_T_max  0.81
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_description       block
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.114
_refine_diff_density_min         -0.603
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         7611
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0325
_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^)+(0.0212P)^2^+2.7259P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0739
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6905
_reflns_number_total             7611
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6dt00038j2.cif
_cod_data_source_block           MW_Ltzpy_Ag2_0ma_a
_cod_depositor_comments
'Adding full bibliography for 7720259--7720260.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7720260
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              22630