Information card for entry 7123912

Structure parameters

• Formula: C3 H10 Br4 N6 Pb
• Calculated formula: C3 H10 Br4 N6 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: 6.003 ± 0.002 Å
• b: 26.969 ± 0.009 Å
• c: 8.613 ± 0.003 Å
• α: 90°
• β: 96.47 ± 0.008°
• γ: 90°
• Cell volume: 1385.5 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0321
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No