4-(Dimethylamino)pyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)
Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng; Acta Crystallographica Section E 68 (2012) m744–; doi:10.1107/S160053681201968X

data_2234932
_publ_section_title
;
 4-(Dimethylamino)pyridinium
 tetrachlorido(pyridine-2-carboxylato-\k^2^<i>N</i>,<i>O</i>)stannate(IV)
;
_journal_coeditor_code           BT5909
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m744
_journal_paper_doi               10.1107/S160053681201968X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '(C7 H11 N2) [Sn Cl4 (C6 H4 N O2)]'
_chemical_formula_moiety         'C7 H11 N2 +, C6 H4 Cl4 N O2 Sn -'
_chemical_formula_sum            'C13 H15 Cl4 N3 O2 Sn'
_chemical_formula_weight         505.77
_chemical_name_systematic
;
4-(Dimethylamino)pyridinium
tetrachlorido(pyridine-2-carboxylato-\k^2^<i>N</i>,<i>O</i>)stannate(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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                69.485(4)
_cell_angle_beta                 83.159(3)
_cell_angle_gamma                67.900(3)
_cell_formula_units_Z            2
_cell_length_a                   7.6658(2)
_cell_length_b                   9.8948(4)
_cell_length_c                   13.5722(6)
_cell_measurement_reflns_used    8614
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5015
_cell_measurement_theta_min      2.3506
_cell_volume                     893.25(7)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Agilent SuperNova Dual diffractometer with an Atlas detector'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12966
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.36
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.039
_exptl_absorpt_correction_T_max  0.6859
_exptl_absorpt_correction_T_min  0.5799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2012)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.614
_refine_diff_density_min         -0.409
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         4109
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0203
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0217P)^2^+0.1127P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0462
_refine_ls_wR_factor_ref         0.0485
_reflns_number_gt                3744
_reflns_number_total             4109
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5909.cif
_cod_data_source_block           I
_cod_original_cell_volume        893.25(6)
_cod_database_code               2234932
_cod_database_fobs_code          2234932