Information card for entry 4003950

Structure parameters

• Formula: C32 H48 Ag Bi Br8 N4
• Calculated formula: C32 H48 Ag Bi Br8 N4
• Title of publication: Large Cation Engineering in Two-Dimensional Silver‒Bismuth Bromide Double Perovskites
• Authors of publication: Schmitz, Fabian; Horn, Jonas; Dengo, Nicola; Sedykh, Alexander E.; Becker, Jonathan; Maiworm, Elena; Bélteky, Péter; Kukovecz, Ákos; Gross, Silvia; Lamberti, Francesco; Müller-Buschbaum, Klaus; Schlettwein, Derck; Meggiolaro, Daniele; Righetto, Marcello; Gatti, Teresa
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 11.4661 ± 0.0005 Å
• b: 11.5138 ± 0.0005 Å
• c: 17.0237 ± 0.0008 Å
• α: 106.614 ± 0.0016°
• β: 99.6956 ± 0.0016°
• γ: 90.0802 ± 0.0016°
• Cell volume: 2119.93 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0745
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No