Information card for entry 4073429

Structure parameters

• Formula: C41 H57 Cl O P2 Ru
• Calculated formula: C41 H57 Cl O P2 Ru
• SMILES: [Ru]1([P](c2c(O1)cccc2)(C(C)(C)C)c1ccccc1)(Cl)(=Cc1ccccc1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Mechanistically Designed Dual-Site Catalysts for the Alternating ROMP of Norbornene and Cyclooctene
• Authors of publication: Bornand, Marc; Torker, Sebastian; Chen, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3585
• a: 15.0303 ± 0.0003 Å
• b: 13.7595 ± 0.0003 Å
• c: 19.5228 ± 0.0004 Å
• α: 90°
• β: 105.899 ± 0.001°
• γ: 90°
• Cell volume: 3883.05 ± 0.14 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No