<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K
Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.; Acta Crystallographica Section C 59 (2003) m361–m365; doi:10.1107/S0108270103012642

data_2013434
_publ_section_title
;
 <i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate,
 <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile
 solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV),
 <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and
 <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all
 determined at <i>ca</i> 150K
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m361
_journal_page_last               m365
_journal_paper_doi               10.1107/S0108270103012642
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Sn Cl4 (C8 H7 N)2]'
_chemical_formula_moiety         'C16 H14 Cl4 N2 Sn1'
_chemical_formula_sum            'C16 H14 Cl4 N2 Sn'
_chemical_formula_weight         494.82
_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'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00000
_cell_angle_beta                 104.977(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   15.3550(10)
_cell_length_b                   7.3810(6)
_cell_length_c                   18.083(2)
_cell_measurement_reflns_used    6760
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.2
_cell_measurement_theta_min      2.3
_cell_volume                     1979.8(3)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction
;
Xtal3.5 (Hall, King, and Stewart, 1995)
;
_computing_molecular_graphics    Xtal3.5
_computing_publication_material  'BONDLA and CIFIO in Xtal3.5'
_computing_structure_refinement  'CRYLSQ in Xtal3.5'
_computing_structure_solution    Xtal3.5
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max .98
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .031
_diffrn_reflns_av_sigmaI/netI    .033
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            29755
_diffrn_reflns_theta_full        34.0
_diffrn_reflns_theta_max         34.0
_diffrn_reflns_theta_min         1.55
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.829
_exptl_absorpt_correction_T_max  .77
_exptl_absorpt_correction_T_min  .72
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.66
_exptl_crystal_description       prism
_exptl_crystal_F_000             968
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .3
_refine_diff_density_max         .973
_refine_diff_density_min         -1.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   .976
_refine_ls_goodness_of_fit_ref   .986
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     208
_refine_ls_number_reflns         6555
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .036
_refine_ls_R_factor_gt           .027
_refine_ls_shift/su_max          .007
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = [1/\s^2^(F) + 0.0004F^2^]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .037
_refine_ls_wR_factor_ref         .034
_reflns_number_gt                6555
_reflns_number_total             7717
_reflns_threshold_expression     'I    > 2.00 \s(I)'
_cod_data_source_file            fg1697.cif
_cod_data_source_block           V
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C16 H14 Cl4 N2 Sn1'
_cod_database_code               2013434
_cod_database_fobs_code          2013434