Information card for entry 7114078

Structure parameters

• Formula: C32 H38 Ru2
• Calculated formula: C32 H38 Ru2
• SMILES: [Ru]12345678([c]9([c]4([c]6([c]2([c]19C)C)C)C)C)[c]1([cH]3[cH]8[cH]7[cH]51)C#C[c]12[cH]3[Ru]4567891([c]1([c]5([c]4([c]6(C)[c]91C)C)C)C)[cH]2[cH]7[cH]38
• Title of publication: A facile structural rearrangement to unprecedented µ2-η6:η6-bis(cyclopentadienylidene)ethene diruthenium complexes in the oxidation of 1,2-bis(ruthenocenyl)ethynesElectronic supplementary information (ESI) available: elemental analysis, 1H and 13C NMR, IR and Raman spectra. See http://www.rsc.org/suppdata/cc/b2/b202811p/
• Authors of publication: Sato, Masaru; Watanabe, Masanobu
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 1574
• a: 8.634 ± 0.001 Å
• b: 11.9161 ± 0.0009 Å
• c: 13.407 ± 0.001 Å
• α: 86.362 ± 0.007°
• β: 87.84 ± 0.01°
• γ: 88.724 ± 0.009°
• Cell volume: 1375.3 ± 0.2 ų
• Cell temperature: 298 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: 0.0371
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.599
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No