Information card for entry 4127221

Structure parameters

• Formula: C24 H36 Ag Bi I8 N4 S4
• Calculated formula: C24 H36 Ag Bi I8 N4 S4
• Title of publication: Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation.
• Authors of publication: Jana, Manoj K.; Janke, Svenja M.; Dirkes, David J.; Dovletgeldi, Seyitliyev; Liu, Chi; Qin, Xixi; Gundogdu, Kenan; You, Wei; Blum, Volker; Mitzi, David B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 19
• Pages of publication: 7955 - 7964
• a: 29.3654 ± 0.0014 Å
• b: 6.1473 ± 0.0003 Å
• c: 12.0494 ± 0.0006 Å
• α: 90°
• β: 92.7321 ± 0.0012°
• γ: 90°
• Cell volume: 2172.66 ± 0.18 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No