Information card for entry 4342888

Structure parameters

• Formula: C59 H108 Ca3 N12 O2 Si
• Calculated formula: C58.9992 H107.998 Ca3 N12 O1.9998 Si
• Title of publication: Formation of a Cationic Calcium Hydride Cluster with a "Naked" Triphenylsilyl Anion by Hydrogenolysis of Bis(triphenylsilyl)calcium.
• Authors of publication: Leich, Valeri; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4927 - 4933
• a: 14.2498 ± 0.0018 Å
• b: 14.2498 ± 0.0018 Å
• c: 18.506 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3254.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No