Information card for entry 4073430

Structure parameters

• Formula: C39 H61 Cl O P2 Ru
• Calculated formula: C39 H61 Cl O P2 Ru
• SMILES: [Ru]1([P](c2c(O1)cccc2)(C(C)(C)C)C(C)(C)C)(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: 9.7302 ± 0.0001 Å
• b: 14.5588 ± 0.0002 Å
• c: 14.6718 ± 0.0002 Å
• α: 88.678 ± 0.001°
• β: 75.78 ± 0.001°
• γ: 70.981 ± 0.001°
• Cell volume: 1901.06 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No