Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation
Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin; New J. Chem. 41 (2017) 5639–5650; doi:10.1039/C7NJ00500H

data_7056197
_publ_section_title
;
 Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic
 acid: synthesis, characterization and in vitro cytostatic activity
 evaluation
;
_journal_issue                   13
_journal_name_full               'New J. Chem.'
_journal_page_first              5639
_journal_page_last               5650
_journal_paper_doi               10.1039/C7NJ00500H
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C40 H48 F4 O10 Se4 Sn4'
_chemical_formula_weight         1555.38
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-05-10 deposited with the CCDC.
2017-05-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.6930(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.0682(14)
_cell_length_b                   15.0174(13)
_cell_length_c                   20.0535(17)
_cell_measurement_reflns_used    03658
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.844
_cell_measurement_theta_min      2.664
_cell_volume                     5129.4(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0617
_diffrn_reflns_av_unetI/netI     0.0724
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12619
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.020
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_min         2.665
_exptl_absorpt_coefficient_mu    4.827
_exptl_absorpt_correction_T_max  0.5950
_exptl_absorpt_correction_T_min  0.2682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.014
_exptl_crystal_description       block
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.654
_refine_diff_density_min         -1.614
_refine_diff_density_rms         0.148
_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     322
_refine_ls_number_reflns         4501
_refine_ls_number_restraints     198
_refine_ls_restrained_S_all      1.405
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0480
_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^)+(0.0410P)^2^+34.2754P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1259
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3102
_reflns_number_total             4501
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj00500h2.cif
_cod_data_source_block           160525c
_cod_database_code               7056197
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.268
_shelx_estimated_absorpt_t_max   0.595
_shelx_res_checksum              63118