Information card for entry 4312212

Structure parameters

• Formula: C4 H16 Br4 N2 O2 Pb
• Calculated formula: C4 H16 Br4 N2 O2 Pb
• Title of publication: Unique Hydrogen Bonding Correlating with a Reduced Band Gap and Phase Transition in the Hybrid Perovskites (HO(CH2)2NH3)2PbX4 (X = I, Br)
• Authors of publication: Nicolas Mercier; Sylvain Poiroux; Amédée Riou; Patrick Batail
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8361 - 8366
• a: 8.4625 ± 0.0006 Å
• b: 8.647 ± 0.001 Å
• c: 19.918 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1457.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No