N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.
Wang, Ai; Englert, Ulli; Acta crystallographica. Section C, Structural chemistry 73 (2017) 803–809; doi:10.1107/S2053229617013201

data_2311930
_publ_section_title
;
 N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous
 3,5-dichloropyridinium salts.
;
_journal_coeditor_code           YP3141
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              803
_journal_page_last               809
_journal_paper_doi               10.1107/S2053229617013201
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '(C5 H4 Cl2 N)2 [Co Br4]'
_chemical_formula_moiety         '2(C5 H4 Cl2 N +), Br4 Co 2-'
_chemical_formula_sum            'C10 H8 Br4 Cl4 Co N2'
_chemical_formula_weight         676.55
_chemical_name_common            c
_chemical_name_systematic
;
3,5-Dichloropyridinium tetrabromidocobaltate(II)
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_cell_volume                     1952.3(3)
_computing_cell_refinement
;
SAINT-Plus (Bruker, 2009)
;
_computing_data_collection
;
SMART (Bruker, 2001)
;
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;
SAINT-Plus (Bruker, 2009)
;
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;
SHELXL2014 (Sheldrick, 2015)
;
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;
SHELXS97 (Sheldrick, 2008)
;
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.859
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_exptl_absorpt_coefficient_mu    9.606
_exptl_absorpt_correction_T_max  0.7461
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    2.302
_exptl_crystal_description       Block
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.170
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0271P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0816
_refine_ls_wR_factor_ref         0.0880
_reflns_number_gt                8583
_reflns_number_total             11214
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.226
_shelx_estimated_absorpt_t_max   0.327
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