Information card for entry 1502714

Structure parameters

• Formula: C12 O12 Ru3
• Calculated formula: C12 O12 Ru3
• Title of publication: Detection of weak intramolecular interactions in Ru(3)(CO)(12) by topological analysis of charge density distributions.
• Authors of publication: Gervasio, Giuliana; Marabello, Domenica; Bianchi, Riccardo; Forni, Alessandra
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 34
• Pages of publication: 9368 - 9373
• a: 7.9959 ± 0.0002 Å
• b: 14.6373 ± 0.0008 Å
• c: 14.3746 ± 0.0008 Å
• α: 90°
• β: 100.578 ± 0.01°
• γ: 90°
• Cell volume: 1653.79 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0208
• Weighted residual factors for all reflections: 0.0199
• Goodness-of-fit parameter for all reflections: 1.0206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No