Triphenyltin Iodide
Ng, S. W.; Acta Crystallographica Section C 51 (1995) 629–631; doi:10.1107/S0108270194012400

data_2003407
_publ_section_title
;
 Triphenyltin Iodide
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              629
_journal_page_last               631
_journal_paper_doi               10.1107/S0108270194012400
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C18 H15 I1 Sn1'
_chemical_formula_sum            'C18 H15 I Sn'
_chemical_formula_weight         476.91
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                81.581(9)
_cell_angle_beta                 77.02(1)
_cell_angle_gamma                72.97(1)
_cell_formula_units_Z            2
_cell_length_a                   9.6093(9)
_cell_length_b                   9.606(1)
_cell_length_c                   10.118(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     866.93(16)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.009
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3250
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.230
_exptl_absorpt_correction_T_max  0.9994
_exptl_absorpt_correction_T_min  0.9433
_exptl_absorpt_correction_type
' semi-empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_exptl_crystal_size_rad          0.13
_refine_diff_density_max         0.70(5)
_refine_diff_density_min         -0.14(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.403
_refine_ls_hydrogen_treatment    'H atoms refined isotropically'
_refine_ls_number_parameters     241
_refine_ls_number_reflns         2326
_refine_ls_R_factor_obs          0.028
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^ + 1]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.030
_reflns_number_observed          2326
_reflns_number_total             3053
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ta1013.cif
_cod_data_source_block           ta1013a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0004F^2^ +
1]' was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.0004F^2^ + 1]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        866.9(2)
_cod_original_formula_sum        'C18 H15 I1 Sn1'
_cod_database_code               2003407