Information card for entry 4114095

Structure parameters

• Common name: {cis-(DAniF)2Ru2Cl(oxalate)(H2O)}4 (CH3CN) 2(C6H14) 12H2O
• Formula: C142 H183 Cl4 N17 O48 Ru8
• Calculated formula: C142 H127.12 Cl4 N17 O48 Ru8
• Title of publication: Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges
• Authors of publication: Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10327 - 10334
• a: 19.9157 ± 0.0014 Å
• b: 19.9157 ± 0.0014 Å
• c: 25.76 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10217.3 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No