Information card for entry 7009658

Structure parameters

• Chemical name: trans(O,O),cis(N,N)-bis(8-hydroxyquinolinato-N,O)-(eta$4!-cyclo-octa- 1,5-diene)-ruthenium(II)
• Formula: C26 H24 N2 O2 Ru
• Calculated formula: C26 H24 N2 O2 Ru
• SMILES: [Ru]12345(Oc6cccc7ccc[n]1c67)(Oc1cccc6ccc[n]2c16)[CH]1=[CH]3CC[CH]4=[CH]5CC1
• Title of publication: Synthesis and characterization of ruthenium quinolin-8-olate complexes. Unexpected formation of a κ1-hydrotris(pyrazolyl)borate complex
• Authors of publication: Gemel, Christian; John, Roland; Slugovc, Christian; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2607
• a: 8.412 ± 0.004 Å
• b: 12.927 ± 0.005 Å
• c: 19.141 ± 0.008 Å
• α: 90°
• β: 92.47 ± 0.02°
• γ: 90°
• Cell volume: 2079.5 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No