Information card for entry 7009659

Structure parameters

• Chemical name: (hydrogen tris(pyrazolyl)borato-N)-(8-hydroxyquinolinato-N,O)- (eta$6!-p-cymene)-ruthenium(II)
• Formula: C28 H30 B N7 O Ru
• Calculated formula: C28 H30 B N7 O Ru
• SMILES: [Ru]123456([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)([n]1cccc2cccc(c12)O6)[n]1n([BH](n2nccc2)n2nccc2)ccc1
• 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: 9.98 ± 0.001 Å
• b: 10.672 ± 0.001 Å
• c: 12.548 ± 0.002 Å
• α: 92.58 ± 0.01°
• β: 91.7 ± 0.01°
• γ: 98.78 ± 0.01°
• Cell volume: 1318.5 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.0576
• Goodness-of-fit parameter for all reflections: 0.986
• Goodness-of-fit parameter for significantly intense reflections: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No