Information card for entry 4111900

Structure parameters

• Chemical name: Tetrakis(N,N'-di(3,5-diclorophenyl)formamidinato) chloro diruthenium(II,III) 0.5water hexanes solvate
• Formula: C58 H43 Cl17 N8 O0.5 Ru2
• Calculated formula: C58 H43 Cl17 N8 O0.5 Ru2
• Title of publication: Proof of Large Positive Zero-Field Splitting in a Ru25+ Paddlewheel
• Authors of publication: Wei-Zhong Chen; F. Albert Cotton; Naresh S. Dalal; Carlos A. Murillo; Chris M. Ramsey; Tong Ren; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12691 - 12696
• a: 15.598 ± 0.0011 Å
• b: 15.598 ± 0.0011 Å
• c: 27.063 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6584.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No