Information card for entry 2202736

Structure parameters

• Chemical name: Lead(II) bromide β-alanine
• Formula: C3 H7 Br2 N O2 Pb
• Calculated formula: C3 H7 Br2 N O2 Pb
• SMILES: [Pb]12(Br)(Br)[O]=C([O]1[Pb]1(Br)(Br)[O]=C([O]21)CC[NH3+])CC[NH3+]
• Title of publication: (β-Alanine)dibromolead(II)
• Authors of publication: Kathleen Reynolds; Roger D. Willett; Brendan Twamley
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m402 - m404
• a: 6.0073 ± 0.0004 Å
• b: 16.5286 ± 0.001 Å
• c: 8.3057 ± 0.0005 Å
• α: 90°
• β: 100.56 ± 0.01°
• γ: 90°
• Cell volume: 810.72 ± 0.09 ų
• Cell temperature: 82 ± 2 K
• Ambient diffraction temperature: 82 ± 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: 0.0201
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No