Dimeric μ-hydroxy-diphenyl(trichloroacetato)tin
Alcock, N.W.; Roe, S.M.; Acta Crystallographica Section C 50 (1994) 227–229; doi:10.1107/S0108270193007760

data_2009470
_publ_section_title
;
 Dimeric \m-hydroxy-diphenyl(trichloroacetato)tin
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              227
_journal_page_last               229
_journal_paper_doi               10.1107/S0108270193007760
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C28 H22 Cl6 O6 Sn2'
_chemical_formula_sum            'C28 H22 Cl6 O6 Sn2'
_chemical_formula_weight         904.6
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_type_scat_source           'SHELXTL-Plus (Sheldrick, 1986)'
_cell_angle_alpha                90.
_cell_angle_beta                 99.96(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   10.429(2)
_cell_length_b                   8.472(2)
_cell_length_c                   19.228(5)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     1673.3(7)
_diffrn_measurement_device       'Siemens R3m'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            3355
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        -2
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.01
_exptl_absorpt_correction_T_max  0.70
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.80
_exptl_crystal_description       blocks
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.9
_refine_diff_density_min         -0.8
_refine_ls_goodness_of_fit_obs   1.21
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2314
_refine_ls_R_factor_obs          0.046
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + gF^2^] where g = 0.0017'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.062
_reflns_number_observed          2314
_reflns_number_total             2959
_reflns_observed_criterion       I/\s(I)>=2.0
_cod_data_source_file            mu1059.cif
_cod_data_source_block           mu1059_structure_1_of_1
_cod_depositor_comments
;
 Changing the space group from '-P 1' to '-P 2ybc' after consulting the
 original publication. All related space group information was changed
 accordingly.

 Antanas Vaitkus,
 2017-07-05

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' 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) + gF^2^] where g =
0.0017' 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) +
gF^2^] where g = 0.0017'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009470