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_7720259
_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            'C25 H17 Ag Cl N5.46 O4.54 S'
_chemical_formula_weight         641.90
_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-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                 100.411(12)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   16.961(3)
_cell_length_c                   15.528(4)
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.10
_cell_measurement_theta_min      2.75
_cell_volume                     5163.3(19)
_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 0.994
_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  0.0339
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27707
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.144
_diffrn_reflns_theta_min         2.747
_exptl_absorpt_coefficient_mu    1.011
_exptl_absorpt_correction_T_max  0.81
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_description       block
_exptl_crystal_F_000             2572
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.853
_refine_diff_density_min         -1.363
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         9789
_refine_ls_number_restraints     45
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0906P)^2^+13.0115P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_refine_ls_wR_factor_ref         0.1605
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7373
_reflns_number_total             9789
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6dt00038j2.cif
_cod_data_source_block           MW_Ltzpz_Ag_0m_a
_cod_depositor_comments
'Adding full bibliography for 7720259--7720260.cif.'
_cod_original_cell_volume        5163(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7720259
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.816
_shelx_estimated_absorpt_t_max   0.915
_shelx_res_checksum              75520