Information card for entry 4319068

Structure parameters

• Common name: (diethylammonium)lead(II)iodide
• Formula: C12 H36 I9 N3 O0 Pb3
• Calculated formula: C12 H36 I9 N3 O0.01 Pb3
• Title of publication: Polytypism in Columnar Group 14 Halide Salts: Structures of (Et2NH2)3Pb3X9.nH2O (X = Cl, Br) and (β-alaninium)2SnI4
• Authors of publication: Roger D. Willett; Karen R. Maxcy; Brendan Twamley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 7024 - 7030
• a: 11.281 ± 0.007 Å
• b: 24.917 ± 0.015 Å
• c: 14.371 ± 0.008 Å
• α: 90°
• β: 110.917 ± 0.012°
• γ: 90°
• Cell volume: 3773 ± 4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No