Naphthalene-1,5-diammonium bis[trifluoridostannate(II)]
Boufas, Sihem; Merazig, Hocine; Moliterni , Anna Grazia; Altomare, Angela; Acta Crystallographica Section C 63 (2007) m315–m317; doi:10.1107/S0108270107023815

data_2016057
_publ_contact_author_address
;
Laboratoire de Chimie Mol\'eculaire, du Contr\^ole
 de l'Environnement et des Mesures Physico-Chimiques
 Facult\'e des Sciences,
D\'epartement de Chimie,
Universit\'e Mentouri de Constantine
25000 Constantine
Alg\'erie
;
_publ_contact_author_email       boufas_sihem@yahoo.fr
_publ_contact_author_fax         '00 (213) 31 61 46 44'
_publ_contact_author_name        'Sihem, Boufas'
_publ_contact_author_phone       '00 (213) 31 61 46 44'
_publ_section_title
;
 Naphthalene-1,5-diammonium bis[trifluoridostannate(II)]
;
_journal_coeditor_code           LN3053
_journal_date_accepted           2007-05-15
_journal_date_recd_electronic    2007-04-14
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m315
_journal_page_last               m317
_journal_paper_category          FM
_journal_paper_doi               10.1107/S0108270107023815
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C10 H12 N2) [Sn F3]2'
_chemical_formula_moiety         'C10 H12 N2 2+, 2(F3 Sn -)'
_chemical_formula_structural     'C10 H12 N2 2+, 2(F3 Sn -)'
_chemical_formula_sum            'C10 H12 F6 N2 Sn2'
_chemical_formula_weight         511.6
_chemical_name_systematic
;
Naphthalene-1,5-diammonium bis[trifluoridostannate(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine-INITIALISE'
_cell_angle_alpha                90
_cell_angle_beta                 104.249(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.8983(2)
_cell_length_b                   22.8232(13)
_cell_length_c                   12.5799(9)
_cell_measurement_reflns_used    3109
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      5.1
_cell_volume                     1363.10(14)
_computing_cell_refinement       'DIRAX (Duisenberg, 1992)'
_computing_data_collection       'COLLECT (Nonius, 2002)'
_computing_data_reduction        'EVAL (Nonius, 2002)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and  Mercury (Macrae <i>et al.</i>,  2006)'
_computing_publication_material
'WinGX (Farrugia, 1999) and Parst (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1993)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16372
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         5.06
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.724
_exptl_absorpt_correction_T_max  0.9292
_exptl_absorpt_correction_T_min  0.8074
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick,1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.552
_refine_diff_density_min         -1.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     189
_refine_ls_number_reflns         3109
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+0.1446P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0699
_reflns_number_gt                2399
_reflns_number_total             3109
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ln3053.cif
_cod_data_source_block           I
_cod_original_formula_sum        ' C10 H12 F6 N2 Sn2'
_cod_database_code               2016057
_cod_database_fobs_code          2016057