Information card for entry 4338088

Structure parameters

• Common name: Acetylruthenocene
• Formula: C12 H12 O Ru
• Calculated formula: C12 H12 O Ru
• SMILES: [Ru]12345678([cH]9[cH]8[cH]1[cH]2[cH]39)[cH]1[cH]5[c]4([cH]6[cH]71)C(=O)C
• Title of publication: Synthesis, crystal structure, and photoluminescence studies of a ruthenocenyl-decorated sn/s cluster.
• Authors of publication: Leusmann, Eliza; Wagner, Mona; Rosemann, Nils W.; Chatterjee, Sangam; Dehnen, Stefanie
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 4228 - 4233
• a: 12.584 ± 0.003 Å
• b: 13.521 ± 0.003 Å
• c: 5.7647 ± 0.0012 Å
• α: 90°
• β: 90.27 ± 0.03°
• γ: 90°
• Cell volume: 980.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No