Information card for entry 4076883

Structure parameters

• Formula: C34 H34 O4 P2 Ru
• Calculated formula: C34 H34 O4 P2 Ru
• SMILES: [Ru]123456([P](CC[P]1(c1c(OC)cccc1)c1c(OC)cccc1)(c1c(OC)cccc1)c1c(O2)cccc1)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Structure, Dynamic Behavior, and Catalytic Activity of a Novel Ruthenium Cyclopentadienyl Complex with a Tridentate P,P,O Ligand
• Authors of publication: van der Drift, Robert C.; Bouwman, Elisabeth; Drent, Eite; Kooijman, Huub; Spek, Anthony L.; van Oort, A. Bart; Mul, Wilhelmus P.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3401
• a: 9.0341 ± 0.0012 Å
• b: 11.7501 ± 0.0012 Å
• c: 17.361 ± 0.002 Å
• α: 71.257 ± 0.01°
• β: 80.242 ± 0.01°
• γ: 72.942 ± 0.01°
• Cell volume: 1662.6 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0546
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No