Novel triphenyltin(IV) compounds with carboxylato <i>N</i>-functionalized 2-quinolones as promising potential anticancer drug candidates: <i>in vitro</i> and <i>in vivo</i> evaluation.
Kasalović, Marijana P; Jelača, Sanja; Milanović, Žiko; Maksimović-Ivanić, Danijela; Mijatović, Sanja; Lađarević, Jelena; Božić, Bojan; Marković, Zoran; Dunđerović, Duško; Rüffer, Tobias; Kretschmer, Robert; Kaluđerović, Goran N; Pantelić, Nebojša Đ; Dalton transactions (Cambridge, England : 2003) 53 (2024) 8298–8314; doi:10.1039/d4dt00182f

data_7715823
_publ_section_title
;
 Novel triphenyltin(IV) compounds with carboxylato <i>N</i>-functionalized
 2-quinolones as promising potential anticancer drug candidates: <i>in
 vitro</i> and <i>in vivo</i> evaluation.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8298
_journal_page_last               8314
_journal_paper_doi               10.1039/d4dt00182f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C31 H27 N O3 Sn'
_chemical_formula_sum            'C31 H27 N O3 Sn'
_chemical_formula_weight         580.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
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_audit_creation_method           SHELXL-2013
_audit_update_record
;
2024-02-23 deposited with the CCDC.	2024-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'rigaku oxford gemini s'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0875
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            71496
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.958
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_exptl_absorpt_correction_T_max  0.920
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_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_description       plate
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.333
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         12290
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0412
_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^)+(0.0488P)^2^+8.9573P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1119
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10241
_reflns_number_total             12290
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00182f2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7715823--7715824.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7715823
_oxdiff_exptl_absorpt_empirical_full_min 0.712
_oxdiff_exptl_absorpt_empirical_full_max 2.264
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_shelxl_version_number           2013-4
_shelx_res_checksum              91230