Information card for entry 4517805

Structure parameters

• Chemical name: Cesium pentabromoantimonate(III) 1,4,7,10,13,16-hexaoxacyclooctadecane N,N-dimethylformamide
• Formula: C27 H55 Br5 Cs2 N O13 Sb
• Calculated formula: C27 H55 Br5 Cs2 N O13 Sb
• SMILES: [Cs]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[Sb](Br)([Br-])([Br-])(Br)Br.[Cs]12345([O]6CC[O]3CC[O]4CC[O]5CC[O]1CC[O]2CC6)[O]=CN(C)C
• Title of publication: Supramolecular Approach for Fine-Tuning of the Bright Luminescence from Zero-Dimensional Antimony(III) Halides
• Authors of publication: Morad, Viktoriia; Yakunin, Sergii; Kovalenko, Maksym V.
• Journal of publication: ACS Materials Letters
• Year of publication: 2020
• Pages of publication: 845 - 852
• a: 10.1265 ± 0.0002 Å
• b: 15.3814 ± 0.0002 Å
• c: 14.2252 ± 0.0002 Å
• α: 90°
• β: 92.268 ± 0.001°
• γ: 90°
• Cell volume: 2213.98 ± 0.06 ų
• Cell temperature: 120.02 ± 0.13 K
• Ambient diffraction temperature: 120.02 ± 0.13 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No