New triorganotin(iv) compounds with aromatic carboxylate ligands: synthesis and evaluation of the pro-apoptotic mechanism
Rashid, Faisal; Uddin, Noor; Ali, Saqib; Haider, Ali; Tirmizi, Syed Ahmad; Diaconescu, Paula L.; Iqbal, Jamshed; RSC Advances 11 (2021) 4499–4514; doi:10.1039/D0RA06695H

data_7242154
_publ_section_title
;
 New triorganotin(iv) compounds with aromatic carboxylate ligands:
 synthesis and evaluation of the pro-apoptotic mechanism
;
_journal_issue                   8
_journal_name_full               'RSC Advances'
_journal_page_first              4499
_journal_page_last               4514
_journal_paper_doi               10.1039/D0RA06695H
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C22 H38 O4 Sn'
_chemical_formula_sum            'C22 H38 O4 Sn'
_chemical_formula_weight         485.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc25sswn
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2020-07-29 deposited with the CCDC.	2020-11-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.1189(16)
_cell_angle_gamma                90
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_cell_length_b                   10.7495(11)
_cell_length_c                   16.3176(16)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.85
_cell_measurement_theta_min      2.44
_cell_volume                     4625.8(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.929
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            60460
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_min         1.544
_diffrn_source                   'Sealed Mo X-Ray Tube'
_exptl_absorpt_coefficient_mu    1.127
_exptl_absorpt_correction_T_max  0.14
_exptl_absorpt_correction_T_min  0.09
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       platelet
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          .3
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_exptl_crystal_size_min          .1
_refine_diff_density_max         5.338
_refine_diff_density_min         -1.895
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         13595
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.214
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0574
_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^)+(0.0355P)^2^+24.8189P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1396
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_reflns_number_gt                11150
_reflns_number_total             13595
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra06695h2.cif
_cod_data_source_block           mo_noor6a
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_res_checksum              16620