Information card for entry 7024981

Structure parameters

• Formula: C28 H37 Cl4 N2 P Pd
• Calculated formula: C28 H37 Cl4 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2n(c3c4CCc5ccc(CCc(c3)cc4)cc5)cc[n]12)(C(C)(C)C)C(C)(C)C.ClCCl
• Title of publication: Planar-chiral imidazole-based phosphine ligands derived from [2.2]paracyclophane
• Authors of publication: Seacome, Richard J.; Coles, Martyn P.; Glover, Jean E.; Hitchcock, Peter B.; Rowlands, Gareth J.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3687
• a: 7.7953 ± 0.0002 Å
• b: 13.8315 ± 0.0003 Å
• c: 13.0449 ± 0.0003 Å
• α: 90°
• β: 91.366 ± 0.002°
• γ: 90°
• Cell volume: 1406.11 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No