Molecular adduct of dimethyltin dichloride with methyl <i>N</i>-(2-hydroxybenzylidene)alaninate (1:2), [SnCl~2~(C~11~H~13~NO~3~)~2~(CH~3~)~2~]
Hazell, A.; Goh, N.K.; Khoo, L.E.; Acta Crystallographica Section C 50 (1994) 54–56; doi:10.1107/S0108270193005694

data_2009362
_publ_section_title
;
 Molecular adduct of dimethyltin dichloride with methyl
 <i>N</i>-(2-hydroxybenzylidene)alaninate (1:2),
 [SnCl~2~(C~11~H~13~NO~3~)~2~(CH~3~)~2~]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              54
_journal_page_last               56
_journal_paper_doi               10.1107/S0108270193005694
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C24 H32 Cl2 N2 O6 Sn1'
_chemical_formula_sum            'C24 H32 Cl2 N2 O6 Sn'
_chemical_formula_weight         634.15
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 105.423(9)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   12.092(2)
_cell_length_b                   9.393(2)
_cell_length_c                   12.507(2)
_cell_measurement_reflns_used    120
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      20.2
_cell_volume                     1369.4(4)
_diffrn_measurement_device       'Huber four-circle'
_diffrn_measurement_method       ' \w-2\q step scan, 50 steps, 1 s/step'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7858
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        10
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.17
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.584
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_description       '{10-1} {101}(010)(1-10)(-1-10)'
_exptl_crystal_size_max          0.74
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.60(10)
_refine_diff_density_min         -2.20(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.517
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     224
_refine_ls_number_reflns         2824
_refine_ls_R_factor_obs          0.042
_refine_ls_shift/esd_max         0.13
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = ([\s~cs~(F^2^) + 1.03F^2^]^1/2^ - {F})^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.052
_reflns_number_observed          2824
_reflns_number_total             3969
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1077.cif
_cod_data_source_block           ab1077_sturcture_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '([\s~cs~(F^2^) + 1.03F^2^]^1/2^
- {F})^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = ([\s~cs~(F^2^) + 1.03F^2^]^1/2^ - {F})^-1^'.

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        'C24 H32 Cl2 N2 O6 Sn1'
_cod_database_code               2009362