Information card for entry 7047909

Structure parameters

• Formula: C5 H6 Br3 N Pb
• Calculated formula: C5 H6 Br3 N Pb
• Title of publication: Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system.
• Authors of publication: Selivanov, N. I.; Murashkina, A. A.; Kevorkyants, R.; Emeline, A. V.; Bahnemann, D. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16313 - 16319
• a: 14.0045 ± 0.0006 Å
• b: 7.769 ± 0.0004 Å
• c: 9.178 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 998.58 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No