Information card for entry 2208518

Structure parameters

• Chemical name: Naphthalene-1,5-diammonium diiodide dihydrate
• Formula: C10 H16 I2 N2 O2
• Calculated formula: C10 H16 I2 N2 O2
• SMILES: c1cc(c2c(c(ccc2)[NH3+])c1)[NH3+].[I-].O.[I-].O
• Title of publication: Naphthalene-1,5-diammonium diiodide dihydrate
• Authors of publication: Lemmerer, Andreas; Billing, David G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1362 - o1364
• a: 11.353 ± 0.004 Å
• b: 7.827 ± 0.003 Å
• c: 8.217 ± 0.003 Å
• α: 90°
• β: 106.921 ± 0.005°
• γ: 90°
• Cell volume: 698.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0158
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No