Information card for entry 4312213

Structure parameters

• Formula: C4 H16 I4 N2 O2 Pb
• Calculated formula: C4 H16 I4 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: 8.935 ± 0.001 Å
• b: 9.056 ± 0.002 Å
• c: 10.214 ± 0.003 Å
• α: 90°
• β: 100.26 ± 0.01°
• γ: 90°
• Cell volume: 813.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No