Information card for entry 4109927

Structure parameters

• Formula: C80 H152 N58 O70 Ru8 Yb6
• Calculated formula: C80 H72 N58 O70 Ru8 Yb6
• Title of publication: Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene
• Authors of publication: Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11491 - 11504
• a: 11.4801 ± 0.0005 Å
• b: 15.8855 ± 0.0006 Å
• c: 22.8864 ± 0.001 Å
• α: 97.127 ± 0.002°
• β: 100.46 ± 0.002°
• γ: 103.133 ± 0.002°
• Cell volume: 3937 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No