Information card for entry 7126035

Structure parameters

• Formula: C12 H36 Ag Bi I12 N4
• Calculated formula: C12 H36 Ag Bi I12 N4
• Title of publication: (C₃H₉NI)₄AgBiI₈: a direct-bandgap layered double perovskite based on a short-chain spacer cation for light absorption.
• Authors of publication: Yao, Yunpeng; Kou, Bo; Peng, Yu; Wu, Zhenyue; Li, Lina; Wang, Sasa; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 21
• Pages of publication: 3206 - 3209
• a: 8.6582 ± 0.0005 Å
• b: 9.3734 ± 0.0006 Å
• c: 12.1489 ± 0.0008 Å
• α: 90.286 ± 0.003°
• β: 95.226 ± 0.002°
• γ: 90.478 ± 0.002°
• Cell volume: 981.82 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No