Information card for entry 7124522

Structure parameters

• Formula: C58 H97 B Ca2 N6 O2
• Calculated formula: C58 H97 B Ca2 N6 O2
• 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: 18.88272 ± 0.00018 Å
• b: 18.88272 ± 0.00018 Å
• c: 16.61907 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5925.65 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No