Bis(1,1'-dimethyl-5-nitro-2,2'-biimidazol-3'-ium) <i>trans</i>-Tetrachlorodimethylstannate
Casas, J. S.; Castiñeiras, A.; Martínez, G.; Sordo, J.; Varela, J. M.; Couce, M. D.; Acta Crystallographica Section C 51 (1995) 2561–2563; doi:10.1107/S0108270195005051

data_2004291
_publ_section_title
;
 Bis(1,1'-dimethyl-5-nitro-2,2'-biimidazol-3'-ium)
 <i>trans</i>-Tetrachlorodimethylstannate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2561
_journal_page_last               2563
_journal_paper_doi               10.1107/S0108270195005051
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C16 H20 N10 O4 , C2 H6 Cl4 Sn'
_chemical_formula_sum            'C18 H26 Cl4 N10 O4 Sn'
_chemical_formula_weight         706.97
_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_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 97.220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.184(2)
_cell_length_b                   14.7930(10)
_cell_length_c                   10.495(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13.20
_cell_measurement_theta_min      7.07
_cell_volume                     1414.5(4)
_computing_cell_refinement       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction        'SDP-VAX (Frenz, 1986)'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976), SCHAKAL (Keller, 1988)'
_computing_structure_refinement  'SDP-VAX. (Frenz, 1986)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4889
_diffrn_reflns_theta_max         31
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.329
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.449
_refine_diff_density_min         -0.381
_refine_ls_extinction_coef       1.01E-7
_refine_ls_extinction_method     'Zachariasen (1963)'
_refine_ls_goodness_of_fit_obs   1.506
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     209
_refine_ls_number_reflns         2515
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      '              w = 1/\s^2^(F)?'
_refine_ls_wR_factor_obs         0.042
_reflns_number_observed          2515
_reflns_number_total             4397
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            na1160.cif
_cod_data_source_block           na1160a
_cod_original_cell_volume        1414.6(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2004291