Information card for entry 2311928

Structure parameters

• Common name: a
• Chemical name: 3,5-Dichloropyridinium tetrachloridozincate(II)
• Formula: C10 H8 Cl8 N2 Zn
• Calculated formula: C10 H8 Cl8 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].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: 8.6181 ± 0.0006 Å
• b: 12.8068 ± 0.0009 Å
• c: 16.7622 ± 0.0012 Å
• α: 85.5267 ± 0.0009°
• β: 79.0539 ± 0.001°
• γ: 80.1701 ± 0.001°
• Cell volume: 1787.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No