Information card for entry 1558196

Structure parameters

• Formula: C10 H22 Ag Br8 N6 Tl
• Calculated formula: C10 H22 Ag Br8 N6 Tl
• SMILES: [Tl](Br)(Br)(Br)[Br][Ag](Br)(Br)(Br)[Br][Tl](Br)(Br)(Br)[Br][Ag](Br)(Br)(Br)Br.[NH3+]CCc1[nH]c[nH+]c1.[NH3+]CCc1[nH]c[nH+]c1.[NH3+]CCc1[nH]c[nH+]c1.[NH3+]CCc1[nH]c[nH+]c1
• Title of publication: Dimensional reduction of the small-bandgap double perovskite Cs₂AgTlBr₆.
• Authors of publication: Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 29
• Pages of publication: 7708 - 7715
• a: 11.3098 ± 0.0004 Å
• b: 12.6075 ± 0.0005 Å
• c: 18.2063 ± 0.0007 Å
• α: 90°
• β: 95.713 ± 0.002°
• γ: 90°
• Cell volume: 2583.11 ± 0.17 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No