Information card for entry 4127182

Structure parameters

• Common name: cocrystal hydride - hydroxide
• Formula: C54 H95 N12 O0.4 Si Sr3
• Calculated formula: C54 H95 N12 O0.389 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: 9.8237 ± 0.0003 Å
• b: 16.7214 ± 0.0005 Å
• c: 19.1764 ± 0.0006 Å
• α: 86.7277 ± 0.0008°
• β: 86.3258 ± 0.0009°
• γ: 77.2861 ± 0.0009°
• Cell volume: 3063.49 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No