Information card for entry 2016751

Structure parameters

• Chemical name: naphthalene-1,8-diyldiammonium diiodide
• Formula: C10 H12 I2 N2
• Calculated formula: C10 H12 I2 N2
• SMILES: c1(cccc2c1c(ccc2)[NH3+])[NH3+].[I-].[I-]
• Title of publication: Hydrogen-bonding one-dimensional chains containing the <i>R</i>~4~^2^(8) motif in the ammonium salts 1-naphthylammonium iodide and naphthalene-1,8-diyldiammonium diiodide
• Authors of publication: Lemmerer, Andreas; Billing, David G.; Robinson, Janine M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o481 - o484
• a: 7.2529 ± 0.0013 Å
• b: 9.1586 ± 0.0017 Å
• c: 10.897 ± 0.002 Å
• α: 68.082 ± 0.003°
• β: 75.764 ± 0.003°
• γ: 68.867 ± 0.003°
• Cell volume: 621.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes