Bis(<i>o</i>-methoxyphenyl)tin dibromide
Ross, Jennifer-Nicola; Wardell, James; Ferguson, George; Low, John N.; Acta Crystallographica Section C 50 (1994) 1207–1209; doi:10.1107/S0108270194003781

data_2009960
_publ_section_title
;
 Bis(<i>o</i>-methoxyphenyl)tin dibromide
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1207
_journal_page_last               1209
_journal_paper_doi               10.1107/S0108270194003781
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C14 H14 Br2 O2 Sn '
_chemical_formula_sum            'C14 H14 Br2 O2 Sn'
_chemical_formula_weight         492.76
_chemical_name_systematic
;
di(o-methoxyphenyl)tin dibromide
;
_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'
_cell_angle_alpha                90.0
_cell_angle_beta                 113.409(9)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   14.049(2)
_cell_length_b                   7.5563(7)
_cell_length_c                   16.928(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      21.65
_cell_measurement_theta_min      14.05
_cell_volume                     1649.1(4)
_computing_cell_refinement       'CELDIM (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD4 software'
_computing_data_reduction
'DATRD2 NRCVAX (Gabe, Le Page, Charland, Lee & White, 1989)'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'TABLES NRCVAX'
_computing_structure_refinement  'LSTSQ NRCVAX'
_computing_structure_solution    'Heavy-atom method and NRCVAX'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       '\q/2\q scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71067
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3688
_diffrn_reflns_theta_max         26.88
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        2.5
_diffrn_standards_interval_count 60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.32
_exptl_absorpt_correction_T_max  0.9987
_exptl_absorpt_correction_T_min  0.3035
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.417
_exptl_crystal_size_mid          0.375
_exptl_crystal_size_min          0.069
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.72
_refine_ls_extinction_coef       83(12)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   1.20
_refine_ls_hydrogen_treatment    'H atoms riding (C-H  0.95\%A)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2131
_refine_ls_R_factor_all          0.090
_refine_ls_R_factor_obs          0.043
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0008F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.059
_refine_ls_wR_factor_obs         0.050
_reflns_number_observed          2131
_reflns_number_total             3576
_reflns_observed_criterion       Inet>2.5\s(Inet)
_cod_data_source_file            ha1107.cif
_cod_data_source_block           9360
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0008F^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^2^(F) +
0.0008F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C14 H14 Br2 O2 Sn '
_cod_database_code               2009960