Information card for entry 1507140

Structure parameters

• Formula: C12 O12 Ru3
• Calculated formula: C12 O12 Ru3
• Title of publication: On the unusual weak intramolecular C...C interactions in Ru3(CO)12: a case of bond path artifacts introduced by the multipole model?
• Authors of publication: Farrugia, Louis J.; Senn, Hans Martin
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2012
• Journal volume: 116
• Journal issue: 1
• Pages of publication: 738 - 746
• a: 7.9847 ± 0.0003 Å
• b: 14.6576 ± 0.0006 Å
• c: 14.3889 ± 0.0006 Å
• α: 90°
• β: 100.521 ± 0.002°
• γ: 90°
• Cell volume: 1655.72 ± 0.12 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: 0.017
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for all reflections included in the refinement: 0.014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.458
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No