(2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide
Yang, Guang; Noll, Bruce C.; Rybak-Akimova, Elena V.; Acta Crystallographica Section E 69 (2013) o1711–; doi:10.1107/S1600536813028754

data_2238827
_publ_section_title
;
 (2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide
;
_journal_coeditor_code           ZL2557
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1711
_journal_paper_doi               10.1107/S1600536813028754
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C10 H22 N2 2+, 2Br -'
_chemical_formula_moiety         'C10 H22 N2 2+, 2(Br -)'
_chemical_formula_sum            'C10 H22 Br2 N2'
_chemical_formula_weight         330.11
_chemical_name_systematic
;
(2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 92.1340(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.9719(9)
_cell_length_b                   9.7654(5)
_cell_length_c                   7.3637(3)
_cell_measurement_reflns_used    8775
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      31.5244
_cell_measurement_theta_min      2.2680
_cell_volume                     1291.45(11)
_computing_cell_refinement       'SAINT (Bruker, 2011)'
_computing_data_collection
;
APEX2 and <i>Bruker Instrument Service</i> (Bruker, 2013)
;
_computing_data_reduction        'SAINT (Bruker, 2011)'
_computing_molecular_graphics    'OLEX2 (Dolomanov <i>et al.</i>, 2009)'
_computing_publication_material  'OLEX2 (Dolomanov <i>et al.</i>, 2009)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 QUEST CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0209
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            12426
_diffrn_reflns_theta_full        31.53
_diffrn_reflns_theta_max         31.53
_diffrn_reflns_theta_min         2.27
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.247
_exptl_absorpt_correction_T_max  0.57
_exptl_absorpt_correction_T_min  0.13
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2012)
;
_exptl_crystal_colour            'clear colorless'
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.553
_exptl_crystal_size_mid          0.231
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.876
_refine_diff_density_min         -0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     70
_refine_ls_number_reflns         2155
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0179
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0237P)^2^+0.7137P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0438
_refine_ls_wR_factor_ref         0.0449
_reflns_number_gt                1955
_reflns_number_total             2155
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zl2557.cif
_cod_data_source_block           I
_cod_database_code               2238827
_shelx_hkl_checksum              74618
_shelx_res_checksum              67322