Information card for entry 7009867

Structure parameters

• Formula: C25 H31 F5 P2 Pd
• Calculated formula: C25 H31 F5 P2 Pd
• SMILES: [Pd]1([P]2([C@H](C)CC[C@H]2C)c2ccccc2[P]21[C@H](C)CC[C@H]2C)(C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Allyl, olefin, aryl and alkyl organometallic palladium complexes of 1,2-bis[(2R,5R)-2,5-dimethylphospholanyl]benzene
• Authors of publication: Drago, Daniela; Pregosin, Paul S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 3191
• a: 10.6352 ± 0.0016 Å
• b: 14.242 ± 0.002 Å
• c: 17.12 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2593.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No