Information card for entry 2208858

Structure parameters

• Chemical name: Butane-1,4-diammonium diiodide
• Formula: C4 H14 I2 N2
• Calculated formula: C4 H14 I2 N2
• SMILES: C(C[NH3+])CC[NH3+].[I-].[I-]
• Title of publication: Butane-1,4-diammonium diiodide
• Authors of publication: Lemmerer, Andreas; Billing, David G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1954 - o1956
• a: 4.8983 ± 0.0008 Å
• b: 8.821 ± 0.0014 Å
• c: 11.981 ± 0.002 Å
• α: 90°
• β: 93.711 ± 0.003°
• γ: 90°
• Cell volume: 516.59 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes