Information card for entry 7013091

Structure parameters

• Formula: C12 H19 Cl3 N3 Ru0.5
• Calculated formula: C12 H19 Cl3 N3 Ru0.5
• Title of publication: The formation of cis- and trans-[Ru(CN)2(CNtBu)4] by reductive cleavage of isocyanide ligands; isomer separation by supramolecular interactions with various solvents
• Authors of publication: Daniel Dönnecke; Wolfgang Imhof
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 2737 - 2744
• a: 10.2282 ± 0.0004 Å
• b: 10.0166 ± 0.0004 Å
• c: 17.6631 ± 0.0005 Å
• α: 90°
• β: 104.759 ± 0.003°
• γ: 90°
• Cell volume: 1749.91 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.0676
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No