Information card for entry 4320421

Structure parameters

• Formula: C22 H31 Cl N P Pd
• Calculated formula: C22 H31 Cl N P Pd
• SMILES: [Pd]1(Cl)([P]2(c3ccccc3)[C@H](C)CC[C@H]2C)[N]([C@H](c2c1cccc2)C)(C)C
• Title of publication: Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties
• Authors of publication: Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5626 - 5635
• a: 9.2614 ± 0.0018 Å
• b: 11.872 ± 0.002 Å
• c: 20.943 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2302.7 ± 0.7 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• 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: 0.0169
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No