Information card for entry 7010616

Structure parameters

• Formula: C29 H33 Cl F6 N P3 Pd
• Calculated formula: C29 H33 Cl F6 N P3 Pd
• SMILES: [Pd]12([P](C)(C)c3ccccc3[P@@]1(C)c1c(Cl)cccc1)[N]([C@H](c1c2ccc2ccccc12)C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Optically active asymmetric di(tertiary phosphines). Crystal and molecular structure of [SP-4-3-(SP,S )]-{1-[(2-chlorophenyl)methylphosphino]-2-(dimethylphosphino)benzene-P,P ' }{1-[1-(dimethylamino)ethyl]naphthyl-C 2,N }palladium(II) hexafluorophosphate
• Authors of publication: Chatterjee, Swarup; George, Mark D.; Salem, Geoffrey; Willis, Anthony C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1890
• a: 8.982 ± 0.002 Å
• b: 13.436 ± 0.002 Å
• c: 13.797 ± 0.002 Å
• α: 90°
• β: 102.87 ± 0.01°
• γ: 90°
• Cell volume: 1623.2 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.026
• Goodness-of-fit parameter for all reflections: 1.418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.515
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No