{2-[(2,3-Dimethylphenyl)amino]benzoato-<i>O</i>:<i>O</i>'}-trimethyltin(IV)
Tahir, M. N.; Ülkü, D.; Danish, M.; Ali, S.; Badshah, A.; Mazhar, M.; Acta Crystallographica Section C 53 (1997) 183–185; doi:10.1107/S0108270196013157

data_2005946
_publ_section_title
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 {2-[(2,3-Dimethylphenyl)amino]benzoato-<i>O</i>:<i>O</i>'}-trimethyltin(IV)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              183
_journal_page_last               185
_journal_paper_doi               10.1107/S0108270196013157
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Sn (C15 H14 N O2) (C H3)3]'
_chemical_formula_moiety         'C18 H23 N O2 Sn'
_chemical_formula_sum            'C18 H23 N O2 Sn'
_chemical_formula_weight         404.08
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 95.43(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.506(2)
_cell_length_b                   9.778(2)
_cell_length_c                   14.995(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.16
_cell_measurement_theta_min      10.33
_cell_volume                     1825.4(6)
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'MolEN version of ORTEPII (Johnson, 1976)'
_computing_publication_material  MolEN
_computing_structure_refinement  'LSFM MolEN'
_computing_structure_solution    'SIMPEL MolEN'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3007
_diffrn_reflns_theta_max         23.57
_diffrn_reflns_theta_min         2.22
_diffrn_standards_decay_%        2.52
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.41
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_correction_T_min  0.628
_exptl_absorpt_correction_type   'empirical via \y scans (MolEN; Fair, 1990)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.16
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2167
_refine_ls_R_factor_obs          0.021
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
w = 4F^2^/[\s(I)^2^+(0.04F^2^)^2^], if F^2^ < 4[\s(I)^2^+(0.04F^2^)^2^]^1/2^
then the reflection is omitted
;
_refine_ls_wR_factor_obs         0.029
_reflns_number_observed          2253
_reflns_number_total             2769
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            na1265.cif
_cod_data_source_block           ME3SNMA
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2005946