Synthesis, spectroscopic characterization, X-ray structure and biological screenings of organotin(IV) 3-[(3,5-dichlorophenylamido)]propanoates
Farooq Ali Shah; Muhammad Sirajuddin; Saqib Ali; Syed Mustansar Abbas; Muhammad Nawaz Tahir; Corrado Rizzoli; Inorganica Chimica Acta 400 (2013) 159–162; doi:

data_1516935
_publ_section_title
;
 Synthesis, spectroscopic characterization, X-ray structure and biological
 screenings of organotin(IV) 3-[(3,5-dichlorophenylamido)]propanoates
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              159
_journal_page_last               162
_journal_volume                  400
_journal_year                    2013
_chemical_formula_sum            'C22 H35 Cl2 N O3 Sn'
_chemical_formula_weight         551.10
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 120.001(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   47.1867(14)
_cell_length_b                   10.1593(3)
_cell_length_c                   25.3842(8)
_cell_measurement_temperature    293(2)
_cell_volume                     10538.4(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_sigmaI/netI    0.0318
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            48303
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.39
_exptl_absorpt_coefficient_mu    1.193
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4512
_refine_diff_density_max         0.690
_refine_diff_density_min         -0.428
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     530
_refine_ls_number_reflns         9719
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+40.5087P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1036
_refine_ls_wR_factor_ref         0.1315
_reflns_number_gt                6225
_reflns_number_total             9719
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-400-159-168-1.cif
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1516935