Silver complexes with substituted terpyridines as promising anticancer metallodrugs and their crystal structure, photoluminescence, and DNA interactions.
Li, Jiahe; Wang, Zhiyuan; Chen, Zhongting; Xue, Xingyong; Lin, Kejuan; Chen, Hailan; Pan, Lixia; Yuan, Yulin; Ma, Zhen; Dalton transactions (Cambridge, England : 2003) 52 (2023) 9607–9621; doi:10.1039/d2dt03463h

data_7713268
_publ_section_title
;
 Silver complexes with substituted terpyridines as promising anticancer
 metallodrugs and their crystal structure, photoluminescence, and DNA
 interactions.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9607
_journal_page_last               9621
_journal_paper_doi               10.1039/d2dt03463h
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C25 H21 Ag F6 N5 Sb'
_chemical_formula_sum            'C25 H21 Ag F6 N5 Sb'
_chemical_formula_weight         735.09
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-01-15 deposited with the CCDC.	2023-06-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.6790(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.9108(5)
_cell_length_b                   7.8655(2)
_cell_length_c                   19.3503(6)
_cell_measurement_reflns_used    36539
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.568
_cell_measurement_theta_min      1.590
_cell_volume                     2573.64(13)
_computing_cell_refinement       'Bruker BREEZE'
_computing_data_collection       'Bruker BREEZE'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Breeze CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            36539
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.568
_diffrn_reflns_theta_min         1.590
_exptl_absorpt_coefficient_mu    1.879
_exptl_absorpt_correction_T_max  0.559
_exptl_absorpt_correction_T_min  0.495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.897
_exptl_crystal_description       prism
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.31
_refine_diff_density_max         1.325
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         7815
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0398
_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^)+(0.0704P)^2^+12.9333P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1363
_refine_ls_wR_factor_ref         0.1403
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6994
_reflns_number_total             7815
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt03463h2.cif
_cod_data_source_block           M
_cod_depositor_comments
'Adding full bibliography for 7713268--7713273.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7713268
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              12592
_shelx_hkl_checksum              31158