Gold(I) metallocyclophosphazenes with antibacterial potency and antitumor efficacy. Synergistic antibacterial action of a heterometallic gold and silver-cyclophosphazene.
Gascón, Elena; Otal, Isabel; Maisanaba, Sara; Llana-Ruiz-Cabello, María; Valero, Eva; Repetto, Guillermo; Jones, P. G.; Oriol, Luis; Jiménez, Josefina; Dalton Transactions  (2022) –; doi:10.1039/D2DT01963A

data_7711049
_publ_section_title
;
 Gold(I) metallocyclophosphazenes with antibacterial potency and antitumor
 efficacy. Synergistic antibacterial action of a heterometallic gold and
 silver-cyclophosphazene.
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01963A
_journal_year                    2022
_chemical_formula_sum            'C74 H106 Au2 Cl2 N11 O6 P5'
_chemical_formula_weight         1865.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2022-01-31 deposited with the CCDC.	2022-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.277(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.0011(7)
_cell_length_b                   18.7057(6)
_cell_length_c                   21.6215(8)
_cell_measurement_reflns_used    7109
_cell_measurement_temperature    143(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     7983.5(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-2017
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\w- & \f-scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            171009
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        30.000
_diffrn_reflns_theta_max         30.037
_diffrn_reflns_theta_min         1.287
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.895
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular tablet'
_exptl_crystal_F_000             3768
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.314
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     936
_refine_ls_number_reflns         23338
_refine_ls_number_restraints     123
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.004
_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^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0518
_refine_ls_wR_factor_ref         0.0559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17992
_reflns_number_total             23338
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt01963a2.cif
_cod_data_source_block           roset
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7711049
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.443
_shelx_estimated_absorpt_t_max   0.575
_shelx_res_checksum              43273