Information card for entry 4022968

Structure parameters

• Formula: C48 H62 Cl2 Cu2 P2
• Calculated formula: C48 H62 Cl2 Cu2 P2
• SMILES: C(=C(\c1ccccc1)CC1CC1)([P](C(C)C)(C(C)C)[Cu]1[Cl][Cu]([P](/C(=C(\CC2CC2)c2ccccc2)c2ccccc2)(C(C)C)C(C)C)[Cl]1)\c1ccccc1
• Title of publication: Alkenylzirconocene-Mediated Preparation of Alkenylphosphines
• Authors of publication: Taichi Miyaji; Zhenfeng Xi; Masamichi Ogasawara; Kiyohiko Nakajima; Tamotsu Takahashi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8737 - 8740
• a: 14.335 ± 0.001 Å
• b: 9.7073 ± 0.0006 Å
• c: 18.188 ± 0.001 Å
• α: 90°
• β: 111.392 ± 0.003°
• γ: 90°
• Cell volume: 2356.6 ± 0.3 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.701
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No