Information card for entry 7108770

Structure parameters

• Formula: C47 H73 Cl N3 O2 P Ru
• Calculated formula: C47 H73 Cl N3 O2 P Ru
• SMILES: C1(N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Ru]1(=CC=N(O1)=O)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl
• Title of publication: Ruthenium nitronate complexes as tunable catalysts for olefin metathesis and other transformations
• Authors of publication: Tomasz Wdowik; Cezary Samojlowicz; Magdalena Jawiczuk; Maura Malinska; Krzysztof Wozniak; Karol Grela
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 674
• a: 14.9004 ± 0.0018 Å
• b: 14.2899 ± 0.0013 Å
• c: 24.009 ± 0.002 Å
• α: 90°
• β: 94.636 ± 0.007°
• γ: 90°
• Cell volume: 5095.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.2101
• Residual factor for significantly intense reflections: 0.1418
• Weighted residual factors for significantly intense reflections: 0.2919
• Weighted residual factors for all reflections included in the refinement: 0.3247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No