Structure of dichlorobis(μ-hydroxo)bis(μ~3~-oxo)octaphenyltetratin(IV), [Sn~4~Cl~2~(O)~2~(OH)~2~(C~6~H~5~)~8~]
Kresinski, R.A.; Staples, R.J.; Fackler, J.P.Jr; Acta Crystallographica Section C 50 (1994) 40–41; doi:10.1107/S0108270193006018

data_2009368
_publ_section_title
;
 Structure of
 dichlorobis(\m-hydroxo)bis(\m~3~-oxo)octaphenyltetratin(IV),
 [Sn~4~Cl~2~(O)~2~(OH)~2~(C~6~H~5~)~8~]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              40
_journal_page_last               41
_journal_paper_doi               10.1107/S0108270193006018
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C48 H42 Cl2 O4 Sn4'
_chemical_formula_weight         1228.52
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                77.74(3)
_cell_angle_beta                 66.49(2)
_cell_angle_gamma                75.63(2)
_cell_formula_units_Z            1
_cell_length_a                   10.295(3)
_cell_length_b                   10.791(3)
_cell_length_c                   11.827(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      30
_cell_measurement_theta_min      25
_cell_volume                     1157.6(6)
_diffrn_measurement_device       'Siemens R3m/E'
_diffrn_measurement_method       Wycoff
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3283
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.302
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.702
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless????
_exptl_crystal_density_diffrn    1.76
_exptl_crystal_description       prism???
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.90
_refine_ls_goodness_of_fit_obs   1.080
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2534
_refine_ls_R_factor_obs          0.0237
_refine_ls_shift/esd_max         0.006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F~o~) + 0.0005F~o~^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0312
_reflns_number_observed          2534
_reflns_number_total             3002
_reflns_observed_criterion       F~o~^2^>3\s(F~o~)^2^
_cod_data_source_file            cr1053.cif
_cod_data_source_block           cr1053_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F~o~) +
0.0005F~o~^2^]^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s^2^(F~o~) + 0.0005F~o~^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               2009368