Information card for entry 7050766

Structure parameters

• Formula: C13 H23 Cl3 N3 O3 Ru
• Calculated formula: C13 H23 Cl3 N3 O3 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)([N]2C(COC=2C2OCC([N]1=2)(C)C)(C)C)[O]=CN(C)C
• Title of publication: Two simple precursor 2,2'-bisoxazoline complexes of ruthenium
• Authors of publication: Pal, Pankaj K.; Drew, Michael G. B.; Datta, Dipankar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 24
• a: 8.607 ± 0.014 Å
• b: 14.48 ± 0.02 Å
• c: 15.73 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1960 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No