Information card for entry 4114071

Structure parameters

• Formula: C92 H88 N16 O8 Ru4
• Calculated formula: C92 H72 N16 O8 Ru4
• Title of publication: Polyyn-diyls Capped by Diruthenium Termini: A New Family of Carbon-Rich Organometallic Compounds and Distance-Dependent Electronic Coupling Therein
• Authors of publication: Guo-Lin Xu; Gang Zou; Yu-Hua Ni; Maria C. DeRosa; Robert J. Crutchley; Tong Ren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10057 - 10065
• a: 10.0838 ± 0.0017 Å
• b: 20.023 ± 0.003 Å
• c: 22.504 ± 0.004 Å
• α: 95.518 ± 0.003°
• β: 95.25 ± 0.003°
• γ: 93.827 ± 0.004°
• Cell volume: 4490.6 ± 1.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1594
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No