Information card for entry 4060095

Structure parameters

• Formula: C33 H16 N2 O13 Ru5
• Calculated formula: C33 H16 N2 O13 Ru5
• Title of publication: Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 665 - 674
• a: 11.1372 ± 0.0002 Å
• b: 16.4202 ± 0.0003 Å
• c: 19.2955 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3528.67 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No