A dithiacyclam-coordinated silver(i) polymer with anti-cancer stem cell activity.
Johnson, Alice; Iffland, Linda; Singh, Kuldip; Apfel, Ulf-Peter; Suntharalingam, Kogularamanan; Dalton transactions (Cambridge, England : 2003) 50 (2021) 5779–5783; doi:10.1039/d1dt01155c

data_7707112
_publ_section_title
;
 A dithiacyclam-coordinated silver(i) polymer with anti-cancer stem cell
 activity.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5779
_journal_page_last               5783
_journal_paper_doi               10.1039/d1dt01155c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C10 H22 Ag N2 S2, F6 P, C H2 Cl2'
_chemical_formula_sum            'C11 H24 Ag Cl2 F6 N2 P S2'
_chemical_formula_weight         572.18
_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-2018/3
_audit_update_record
;
2020-12-31 deposited with the CCDC.	2021-04-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.044(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.471(6)
_cell_length_b                   16.294(8)
_cell_length_c                   10.405(5)
_cell_measurement_reflns_used    522
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.300
_cell_measurement_theta_min      2.500
_cell_volume                     2088.0(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1163
_diffrn_reflns_av_unetI/netI     0.1092
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8050
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.073
_exptl_absorpt_coefficient_mu    1.548
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.561
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absoprtion corection based on 2357 reflections(SADABS);Rint 0.2334 before
correction and 0.0578 after.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.820
_exptl_crystal_description       needle
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.763
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     115
_refine_ls_number_reflns         2054
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0622
_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^)+(0.0605P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1234
_refine_ls_wR_factor_ref         0.1347
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1406
_reflns_number_total             2054
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt01155c2.cif
_cod_data_source_block           20008
_cod_depositor_comments          'Adding full bibliography for 7707112.cif.'
_cod_original_cell_volume        2088.0(17)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7707112
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              88712