Information card for entry 4517802

Structure parameters

• Formula: C29.35 H60.48 Ba Br6 Cs N1.78 O13.78 Sb
• Calculated formula: C29.346 H60.474 Ba Br6 Cs N1.782 O13.782 Sb
• 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: 14.0504 ± 0.0003 Å
• b: 14.0504 ± 0.0003 Å
• c: 21.4176 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3661.67 ± 0.14 ų
• Cell temperature: 120.01 ± 0.19 K
• Ambient diffraction temperature: 120.01 ± 0.19 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• 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