Information card for entry 2022723

Structure parameters

• Chemical name: Bis[octakis(dimethyl sulfoxide-κ<i>O</i>)ytterbium(III)] pentabromidoplumbate(II) tribromide dimethyl sulfoxide monosolvate
• Formula: C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb
• Calculated formula: C17 H51 Br4 O8.5 Pb0.5 S8.5 Yb
• Title of publication: Crystal structure of bis-[octa-kis-(di-methyl sulfoxide-κ<i>O</i>)-ytterbium(III)] penta-bromido-plumbate(II) tribromide di-methyl sulfoxide monosolvate: a ytterbium-doped lead halide perovskite precursor.
• Authors of publication: Kinoshita, Takumi; Fukumoto, Kanna; Segawa, Hiroshi
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 402 - 405
• a: 14.394 ± 0.0002 Å
• b: 14.394 ± 0.0002 Å
• c: 40.6538 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8422.9 ± 0.2 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 7
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes