Information card for entry 7126808

Structure parameters

• Formula: C102 H214 Ca10 N10 Si4
• Calculated formula: C102 H214 Ca10 N10 Si4
• Title of publication: Large decanuclear calcium and strontium hydride clusters.
• Authors of publication: Martin, Johannes; Eyselein, Jonathan; Langer, Jens; Elsen, Holger; Harder, Sjoerd
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 64
• Pages of publication: 9178 - 9181
• a: 46.5535 ± 0.0003 Å
• b: 46.5535 ± 0.0003 Å
• c: 18.2299 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 34215.2 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No