Information card for entry 4517803

Structure parameters

• Formula: C31.5 H65.5 Ba2 Br10 N2.5 O14.5 Sb2
• Calculated formula: C31.5 H65.5 Ba2 Br10 N2.5 O14.5 Sb2
• 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: 8.9339 ± 0.0002 Å
• b: 13.85 ± 0.0004 Å
• c: 24.0142 ± 0.0007 Å
• α: 80.825 ± 0.002°
• β: 86.605 ± 0.002°
• γ: 89.767 ± 0.002°
• Cell volume: 2928.18 ± 0.14 ų
• Cell temperature: 200.01 ± 0.12 K
• Ambient diffraction temperature: 200.01 ± 0.12 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• 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: Yes
• Has Fobs: No