Information card for entry 2216538

Structure parameters

• Common name: [RuCl(CO)(tren)]Cl
• Chemical name: Carbonylchlorido[tris(2-aminoethyl)amine]ruthenium(II) chloride
• Formula: C7 H18 Cl2 N4 O Ru
• Calculated formula: C7 H18 Cl2 N4 O Ru
• SMILES: [Ru]123(Cl)([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)C#[O].[Cl-]
• Title of publication: Carbonylchlorido[tris(2-aminoethyl)amine]ruthenium(II) chloride
• Authors of publication: Klüfers, Peter; Zangl, Anna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3061 - m3061
• a: 10.1514 ± 0.0002 Å
• b: 8.5268 ± 0.0001 Å
• c: 14.7413 ± 0.0003 Å
• α: 90°
• β: 101.679 ± 0.0007°
• γ: 90°
• Cell volume: 1249.57 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes