Dibutyldichlorobis{2-[(phenylethylimino)methyl]phenol-<i>O</i>}tin(IV)
Yeap, Guan-Yeow; Ishizawa, Nobuo; Acta Crystallographica Section C 54 (1998) 720–722; doi:10.1107/S010827019701874X

data_2007299
_publ_section_title
;
 Dibutyldichlorobis{2-[(phenylethylimino)methyl]phenol-<i>O</i>}tin(IV)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              720
_journal_page_last               722
_journal_paper_doi               10.1107/S010827019701874X
_journal_volume                  54
_journal_year                    1998
_chemical_formula_analytical     'C38 H48 N2 O2 Cl2 Sn'
_chemical_formula_iupac          '[Sn Cl2 (C4H9)2 (C15 H15 NO)2]'
_chemical_formula_moiety         'C38 H48 N2 O2 Cl2 Sn'
_chemical_formula_sum            'C38 H48 Cl2 N2 O2 Sn'
_chemical_formula_weight         754.55
_chemical_melting_point          .105E-104
_chemical_name_common
;
Dibutyldichlorobis[(2-(phenylethylimino)methyl)phenol]tin(IV)
;
_chemical_name_systematic
;
Dibutyldichlorobis[(2-(phenylethylimino)methyl)phenol]tin(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                85.81(4)
_cell_angle_beta                 79.79(3)
_cell_angle_gamma                79.14(2)
_cell_formula_units_Z            1
_cell_length_a                   9.889(2)
_cell_length_b                   10.208(3)
_cell_length_c                   9.466(6)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      11
_cell_volume                     922.8(7)
_computing_cell_refinement       'Rigaku AFC-5 diffractometer system'
_computing_data_collection       'Rigaku AFC-5 diffractometer system'
_computing_data_reduction        'Xtal3.4 (Hall et al., 1995)'
_computing_molecular_graphics    Xtal3.4
_computing_publication_material  Xtal3.4
_computing_structure_refinement  Xtal3.4
_computing_structure_solution    Xtal3.4
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Rigaku AFC-5'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  .021
_diffrn_reflns_av_sigmaI/netI    .024
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11121
_diffrn_reflns_reduction_process perpendicular_monochr_Lp
_diffrn_reflns_theta_max         30
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 200
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    0.87
_exptl_absorpt_correction_T_max  0.912
_exptl_absorpt_correction_T_min  0.804
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             390
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.11
_refine_diff_density_max         .23
_refine_diff_density_min         -.30
_refine_ls_abs_structure_Flack   0
_refine_ls_extinction_method     none
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_refine_ls_goodness_of_fit_obs   1.587
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3924
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .053
_refine_ls_R_factor_obs          .029
_refine_ls_shift/esd_max         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s(|F|)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .022
_refine_ls_wR_factor_obs         .020
_reflns_number_observed          3926
_reflns_number_total             5382
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            bk1372.cif
_cod_data_source_block           b2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s(|F|)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s(|F|)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C38 H48 N2 O2 Cl2 Sn'
_cod_database_code               2007299