Information card for entry 4022944

Structure parameters

• Formula: C80 H84 Cl4 N2 P2 Pd2
• Calculated formula: C80 H84 Cl4 N2 P2 Pd2
• SMILES: [Pd](=C1N(C(c2c1cccc2)(C)C)c1c(cccc1C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Intramolecular "Hydroiminiumation and -amidiniumation" of Alkenes: A Convenient, Flexible, and Scalable Route to Cyclic Iminium and Imidazolinium Salts
• Authors of publication: Rodolphe Jazzar; Jean-Baptiste Bourg; Rian D. Dewhurst; Bruno Donnadieu; Guy Bertrand
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3492 - 3499
• a: 12.532 ± 0.003 Å
• b: 20.341 ± 0.005 Å
• c: 27.856 ± 0.007 Å
• α: 90°
• β: 94.927 ± 0.006°
• γ: 90°
• Cell volume: 7074 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No