Information card for entry 4127181

Structure parameters

• Formula: C54 H95 N12 Si Sr3
• Calculated formula: C54 H95 N12 Si Sr3
• Title of publication: The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.
• Authors of publication: Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 9.8153 ± 0.001 Å
• b: 16.7007 ± 0.0017 Å
• c: 19.175 ± 0.002 Å
• α: 86.701 ± 0.003°
• β: 86.382 ± 0.003°
• γ: 77.342 ± 0.003°
• Cell volume: 3057.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No