Information card for entry 2205764

Structure parameters

• Common name: neodymium triiodide nonahydrate
• Chemical name: neodymium triiodide nonahydrate
• Formula: H18 I3 Nd O9
• Calculated formula: I3 Nd O9
• SMILES: [Nd]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[I-].[I-].[I-]
• Title of publication: Neodymium triiodide nonahydrate
• Authors of publication: Timofte, Tudor; Babai, Arash; Meyer, Gerd; Mudring, Anja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: i87 - i88
• a: 11.6604 ± 0.0015 Å
• b: 8.0103 ± 0.0011 Å
• c: 8.9702 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 837.8 ± 0.2 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No