Information card for entry 4003585

Structure parameters

• Formula: C14 H32 I4 N2 Pb
• Calculated formula: C14 H32 I4 N2 Pb
• Title of publication: Robot-Accelerated Perovskite Investigation and Discovery
• Authors of publication: Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 16.5155 ± 0.0008 Å
• b: 8.6521 ± 0.0005 Å
• c: 8.7642 ± 0.0004 Å
• α: 90°
• β: 99.0461 ± 0.0019°
• γ: 90°
• Cell volume: 1236.77 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.035
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No