Information card for entry 4085888

Structure parameters

• Formula: C47 H62 Cl N6 Ru
• Calculated formula: C47 H62 Cl N6 Ru
• SMILES: CCCCCC.C1(=[N](C(C)C)[Ru](N1c1ccc(cc1)C(C)(C)C)(C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)(C#[N]c1c(cccc1C)C)Cl)NC(C)C
• Title of publication: Reactivity of the Dimer [{RuCl(μ-Cl)(η3:η3-C10H16)}2] (C10H16= 2,7-Dimethylocta-2,6-diene-1,8-diyl) toward Guanidines: Access to Ruthenium(IV) and Ruthenium(II) Guanidinate Complexes
• Authors of publication: Menéndez-Rodríguez, Lucía; Tomás-Mendivil, Eder; Francos, Javier; Crochet, Pascale; Cadierno, Victorio; Antiñolo, Antonio; Fernández-Galán, Rafael; Carrillo-Hermosilla, Fernando
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2796
• a: 40.2601 ± 0.0014 Å
• b: 8.9068 ± 0.0002 Å
• c: 26.5375 ± 0.0006 Å
• α: 90°
• β: 105.209 ± 0.003°
• γ: 90°
• Cell volume: 9182.7 ± 0.5 ų
• Cell temperature: 123.3 K
• Ambient diffraction temperature: 123.3 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No