Information card for entry 7205560

Structure parameters

• Formula: C13 H16 Ru
• Calculated formula: C13 H16 Ru
• SMILES: [Ru]12345678([cH]9[c]5([cH]4[cH]3[cH]2[cH]19)C)[CH]1=[CH]6CC[CH]7=[CH]81
• Title of publication: Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands
• Authors of publication: Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 3014
• a: 7.6694 ± 0.0004 Å
• b: 8.274 ± 0.0004 Å
• c: 8.5494 ± 0.0002 Å
• α: 91.821 ± 0.003°
• β: 108.474 ± 0.004°
• γ: 93.874 ± 0.003°
• Cell volume: 512.57 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No