Information card for entry 7050765

Structure parameters

• Formula: C20 H32 Cl2 N4 O4 Ru
• Calculated formula: C20 H32 Cl2 N4 O4 Ru
• SMILES: [Ru]12(Cl)(Cl)([N]3C(COC=3C3OCC([N]1=3)(C)C)(C)C)[N]1C(COC=1C1OCC([N]2=1)(C)C)(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: 15.42 ± 0.02 Å
• b: 9.832 ± 0.014 Å
• c: 16.076 ± 0.019 Å
• α: 90°
• β: 96.673 ± 0.01°
• γ: 90°
• Cell volume: 2421 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No