Synthesis and biological applications of ionic triphenyltin(IV) chloride carboxylate complexes with exceptionally high cytotoxicity.
Kaluđerović, Goran N; Kommera, Harish; Hey-Hawkins, Evamarie; Paschke, Reinhard; Gómez-Ruiz, Santiago; Metallomics : integrated biometal science 2 (2010) 419–428; doi:10.1039/c0mt00007h

data_1515893
_publ_section_title
;
 Synthesis and biological applications of ionic triphenyltin(IV) chloride
 carboxylate complexes with exceptionally high cytotoxicity.
;
_journal_issue                   6
_journal_name_full               'Metallomics : integrated biometal science'
_journal_page_first              419
_journal_page_last               428
_journal_paper_doi               10.1039/c0mt00007h
_journal_volume                  2
_journal_year                    2010
_chemical_formula_sum            'C34 H37 Cl N2 O4 Sn'
_chemical_formula_weight         691.8
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-06-26T18:55:25-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 107.661(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9082(5)
_cell_length_b                   30.6676(9)
_cell_length_c                   11.2189(4)
_cell_measurement_reflns_used    11132
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.4874
_cell_measurement_theta_min      2.6509
_cell_volume                     3248.3(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'ccd xcalibur s'
_diffrn_measurement_method       '\w scans and \f scans'
_diffrn_orient_matrix_UB_11      -0.0331048267
_diffrn_orient_matrix_UB_12      0.0097719412
_diffrn_orient_matrix_UB_13      0.0413174877
_diffrn_orient_matrix_UB_21      0.0566331296
_diffrn_orient_matrix_UB_22      0.0150994892
_diffrn_orient_matrix_UB_23      0.0197192723
_diffrn_orient_matrix_UB_31      -0.0366631442
_diffrn_orient_matrix_UB_32      0.0145351539
_diffrn_orient_matrix_UB_33      -0.0480872054
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0451
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            34638
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.769
_refine_diff_density_min         -1.353
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         8048
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0558
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0616P)^2^+4.5856P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1264
_refine_ls_wR_factor_ref         0.1352
_reflns_number_gt                5992
_reflns_number_total             8048
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0mt00007h.txt
_cod_data_source_block           x0515fin
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1515893