Information card for entry 2311929

Structure parameters

• Common name: b
• Chemical name: 3,5-Dichloropyridinium tetrabromidozincate(II)
• Formula: C10 H8 Br4 Cl4 N2 Zn
• Calculated formula: C10 H8 Br4 Cl4 N2 Zn
• SMILES: [Zn](Br)(Br)([Br-])[Br-].Clc1c[nH+]cc(Cl)c1.Clc1c[nH+]cc(Cl)c1
• Title of publication: N-H...X (X = Cl and Br) hydrogen bonds in three isomorphous 3,5-dichloropyridinium salts.
• Authors of publication: Wang, Ai; Englert, Ulli
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 803 - 809
• a: 8.8739 ± 0.0015 Å
• b: 13.469 ± 0.002 Å
• c: 17.284 ± 0.003 Å
• α: 79.539 ± 0.003°
• β: 78.468 ± 0.002°
• γ: 76.968 ± 0.002°
• Cell volume: 1951.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No