Information card for entry 4079404

Structure parameters

• Formula: C34 H28 P2
• Calculated formula: C34 H28 P2
• SMILES: P(=C1C=Cc2ccccc12)(c1ccccc1)(c1ccccc1)CP(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Ruthenium Coordination Complexes of the Chelating Phosphine Phosphonium-1-indenylide 1,1-Bis(diphenylphosphino)methane-1-indenylide,1-C9H6Ph2PCH2PPh2
• Authors of publication: Hussain, Riaz; Fowler, Kevin G.; Sauriol, Francoise; Baird, Michael C.; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6926
• a: 10.9216 ± 0.0005 Å
• b: 11.6984 ± 0.0005 Å
• c: 12.2897 ± 0.0005 Å
• α: 94.046 ± 0.004°
• β: 114.453 ± 0.003°
• γ: 105.143 ± 0.003°
• Cell volume: 1350.89 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No