Information card for entry 4088731

Structure parameters

• Formula: C38 H42 N2 O4 Ru
• Calculated formula: C38 H42 N2 O4 Ru
• SMILES: [Ru]12(Oc3c(O1)cc(cc3)C=O)([O](C(C)C)c1c(C=2)cccc1)=C1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C
• Title of publication: Convergent Synthesis of a Metal‒Organic Framework Supported Olefin Metathesis Catalyst
• Authors of publication: Yuan, Jian; Fracaroli, Alejandro M.; Klemperer, Walter G.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2149
• a: 10.141 ± 0.0003 Å
• b: 10.531 ± 0.0003 Å
• c: 18.1578 ± 0.0005 Å
• α: 95.94 ± 0.002°
• β: 103.763 ± 0.001°
• γ: 113.256 ± 0.001°
• Cell volume: 1687.57 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No