Information card for entry 4321966

Structure parameters

• Common name: 2a
• Formula: C16 H20 N4 Ru
• Calculated formula: C16 H20 N4 Ru
• SMILES: [Ru]123456([N]([C@@H](c7c6cccc7)C)(C)C)(N=N#N)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
• Title of publication: Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry
• Authors of publication: Heather D. Hansen; Kalyani Maitra; John H. Nelson
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2150 - 2156
• a: 9.269 ± 0.001 Å
• b: 12.773 ± 0.002 Å
• c: 13.142 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1555.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.0521
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No