3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride from X-ray powder data
Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik; Acta Crystallographica Section C 55 (1999) 1099–1101; doi:10.1107/S0108270199004138

data_2008661
_publ_section_title
;
 3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride from
 X-ray powder data
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1099
_journal_page_last               1101
_journal_paper_doi               10.1107/S0108270199004138
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'C12 H26 N4 2+, 2Cl 1-'
_chemical_formula_sum            'C12 H26 Cl2 N4'
_chemical_formula_weight         297.27
_chemical_name_systematic
;
3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride
;
_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'
_cell_angle_alpha                90
_cell_angle_beta                 95.33(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.684(3)
_cell_length_b                   9.479(3)
_cell_length_c                   8.156(3)
_cell_measurement_temperature    295(2)
_cell_volume                     745.4(4)
_computing_cell_refinement       LSPAID
_computing_data_collection
'Johannson LS18 linescanner data collection program'
_computing_data_reduction        'PROFIT for Windows'
_computing_molecular_graphics    'PLUTON (Spek, 1997)'
_computing_publication_material
'  MRIA, SHELXL93 (Sheldrick, 1993), PARST (Nardelli, 1983)'
_computing_structure_refinement  MRIA
_computing_structure_solution    'MRIA and DIRDIF96'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type
'Enraf-Nonius Guinier Johannson camera FR 552 powder'
_diffrn_radiation_monochromator  quartz
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.54059
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_exptl_absorpt_coefficient_mu    3.826
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             320
_refine_diff_density_max         0.6
_refine_diff_density_min         -0.6
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.33
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     117
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      2.3
_refine_ls_restrained_S_obs      2.3
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.03
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_reflns_number_total             439
_cod_data_source_file            br1236.cif
_cod_data_source_block           chernyshevGUINIER
_cod_original_cell_volume        745.8(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2008661