(Ketoprofenato)trimethyltin(IV)
Tahir, M. Nawaz; Ülkü, Dinçer; Ali, Saqib; Masood, Tariq; Danish, Mohammad; Mazhar, Mohammad; Acta Crystallographica Section C 53 (1997) 1574–1576; doi:10.1107/S0108270197007348

data_2006642
_publ_section_title
;
 (Ketoprofenato)trimethyltin(IV)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1574
_journal_page_last               1576
_journal_paper_doi               10.1107/S0108270197007348
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Sn (C H3)3 (C16 H13 O3)]'
_chemical_formula_moiety         'C19 H22 O3 Sn'
_chemical_formula_sum            'C19 H22 O3 Sn'
_chemical_formula_weight         417.075
_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_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 98.944(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.4924(2)
_cell_length_b                   9.8064(2)
_cell_length_c                   30.4234(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      17.89
_cell_measurement_theta_min      10.06
_cell_volume                     3681.72(11)
_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  0.011
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            3615
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.38
_diffrn_standards_decay_%        'variation +-1.1%'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.402
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.833
_exptl_absorpt_correction_type   'empirical via \y scans (MolEN: Fair, 1990)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.5048
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.17
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2659
_refine_ls_R_factor_obs          .029
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [1/\s(F)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .046
_reflns_number_observed          2659
_reflns_number_total             3442
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            bm1153.cif
_cod_data_source_block           ME3SNLK
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = [1/\s(F)^2^]' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = [1/\s(F)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3681.5(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2006642