Information card for entry 4127180

Structure parameters

• Formula: C52 H62 O4 Si2 Sr
• Calculated formula: C52 H62 O4 Si2 Sr
• SMILES: c1(ccccc1)[Si](c1ccccc1)(c1ccccc1)[Sr]([O]1CCCC1)([O]1CCCC1)([Si](c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• 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: 10.128 ± 0.0012 Å
• b: 11.9524 ± 0.0014 Å
• c: 20.2705 ± 0.0018 Å
• α: 90°
• β: 105.659 ± 0.005°
• γ: 90°
• Cell volume: 2362.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No