Information card for entry 7205561

Structure parameters

• Formula: C12 H14 Ru
• Calculated formula: C12 H14 Ru
• SMILES: [Ru]12345678([cH]9[cH]5[cH]4[cH]3[cH]2[cH]19)[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: 5.9529 ± 0.0001 Å
• b: 7.9576 ± 0.0005 Å
• c: 19.791 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 937.52 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0118
• Residual factor for significantly intense reflections: 0.0114
• Weighted residual factors for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections included in the refinement: 0.0266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No