Information card for entry 7123914

Structure parameters

• Formula: C4 H11 Br4 N5 Pb
• Calculated formula: C4 H11 Br4 N5 Pb
• Title of publication: Structure-directing effects in (110)-layered hybrid perovskites containing two distinct organic moieties
• Authors of publication: Guo, Yuanyuan; McNulty, Jason A.; Mica, Natalie; Samuel, Ifor D. W.; Slawin, Alexandra; Buehl, Michael; Lightfoot, Philip
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.1106 ± 0.0004 Å
• b: 9.2753 ± 0.0005 Å
• c: 13.0429 ± 0.0009 Å
• α: 93.474 ± 0.009°
• β: 92.726 ± 0.009°
• γ: 91.258 ± 0.008°
• Cell volume: 736.82 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No