Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic activity of fluorobenzenetelluronic triorganotin(iv) esters
Chen, Shuai; Nie, Jia-Jia; Wang, Shuo; Li, Qian-Li; Zhang, Ru-Fen; Li, Yong-Xin; Ma, Chun-Lin; New Journal of Chemistry 43 (2019) 9516–; doi:10.1039/C9NJ00487D

data_7058402
_publ_section_title
;
 Syntheses, characterization, DNA/BSA binding, and in vitro cytostatic
 activity of fluorobenzenetelluronic triorganotin(iv) esters
;
_journal_issue                   24
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9516
_journal_paper_doi               10.1039/C9NJ00487D
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C24 H44 F4 O8 Sn4 Te2'
_chemical_formula_weight         1266.55
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2019-05-16 deposited with the CCDC.    2019-05-21 downloaded from the CCDC.
;
_cell_angle_alpha                105.314(2)
_cell_angle_beta                 113.956(3)
_cell_angle_gamma                92.5570(10)
_cell_formula_units_Z            2
_cell_length_a                   12.1270(11)
_cell_length_b                   13.2661(12)
_cell_length_c                   13.9876(13)
_cell_measurement_reflns_used    2176
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.887
_cell_measurement_theta_min      2.671
_cell_volume                     1953.8(3)
_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-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  '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  0.0821
_diffrn_reflns_av_unetI/netI     0.1113
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10088
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_min         2.248
_exptl_absorpt_coefficient_mu    4.046
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.153
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_exptl_transmission_factor_max   0.641
_exptl_transmission_factor_min   0.537
_refine_diff_density_max         1.937
_refine_diff_density_min         -1.511
_refine_diff_density_rms         0.289
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         6794
_refine_ls_number_restraints     398
_refine_ls_restrained_S_all      0.885
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1173P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1830
_refine_ls_wR_factor_ref         0.2098
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3737
_reflns_number_total             6794
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj00487d2.cif
_cod_data_source_block           150331c
_cod_depositor_comments
'Adding full bibliography for 7058398--7058403.cif.'
_cod_database_code               7058402
_shelx_estimated_absorpt_t_min   0.514
_shelx_estimated_absorpt_t_max   0.664
_shelxl_version_number           2014/6
_shelx_res_checksum              49436