Information card for entry 7104659

Structure parameters

• Formula: C49 H79 N P3 V
• Calculated formula: C49 H79 N P3 V
• SMILES: [V]12([P](C(C)C)(C(C)C)c3cc(C)ccc3N2c2ccc(C)cc2[P]1(C(C)C)C(C)C)(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=CC(C)(C)C
• Title of publication: Phosphinidene group-transfer with a phospha-Wittig reagent: a new entry to transition metal phosphorus multiple bonds.
• Authors of publication: Kilgore, Uriah J; Fan, Hongjun; Pink, Maren; Urnezius, Eugenijus; Protasiewicz, John D; Mindiola, Daniel J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 30
• Pages of publication: 4521 - 4523
• a: 12.6462 ± 0.0019 Å
• b: 20.238 ± 0.003 Å
• c: 18.507 ± 0.003 Å
• α: 90°
• β: 97.99 ± 0.003°
• γ: 90°
• Cell volume: 4690.4 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No