Information card for entry 7124521

Structure parameters

• Formula: C41 H58 B N3
• Calculated formula: C41 H58 B N3
• Title of publication: A Tetranuclear Calcium Hydride Cluster with a Highly Symmetric [Ca4H6]2+ Core
• Authors of publication: Okuda, Jun; Schuhknecht, Danny; Spaniol, Thomas Paul; Laurent, Maron; Douair, Iskander
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.0798 ± 0.0005 Å
• b: 14.2813 ± 0.0008 Å
• c: 19.7342 ± 0.0008 Å
• α: 90°
• β: 102.562 ± 0.003°
• γ: 90°
• Cell volume: 3598 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No