Information card for entry 4319067

Structure parameters

• Common name: (diethylammonium)lead(II)bromide
• Formula: C4 H12 Br3 N Pb
• Calculated formula: C4 H12 Br3 N Pb
• 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: 10.753 ± 0.006 Å
• b: 23.976 ± 0.011 Å
• c: 14.239 ± 0.006 Å
• α: 90°
• β: 111.5 ± 0.05°
• γ: 90°
• Cell volume: 3416 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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 all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No