Information card for entry 4127183

Structure parameters

• Formula: C49 H66 N4 O5 Sr
• Calculated formula: C49 H66 N4 O5 Sr
• 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: 13.8856 ± 0.0008 Å
• b: 17.4892 ± 0.001 Å
• c: 18.1198 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4400.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No