Information card for entry 4065779

Structure parameters

• Formula: C40 H45 Cl5 P3 Re
• Calculated formula: C40 H45 Cl5 P3 Re
• SMILES: [Re](Cl)(Cl)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)#CC=C(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Rhenium Carbyne and η2-Vinyl Complexes from One-Pot Reactions of ReH5(PMe2Ph)3with Terminal Alkynes
• Authors of publication: Chen, Jiangxi; He, Guomei; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2693
• a: 10.1416 ± 0.0004 Å
• b: 19.4068 ± 0.0008 Å
• c: 20.957 ± 0.0008 Å
• α: 90°
• β: 94.468 ± 0.002°
• γ: 90°
• Cell volume: 4112.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No