Information card for entry 7053125

Structure parameters

• Formula: C33 H39 Cl2 F3 P3 Re
• Calculated formula: C33 H39 Cl2 F3 P3 Re
• SMILES: [Re](Cl)(Cl)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)#CCc1ccc(cc1)C(F)(F)F
• Title of publication: Effects of substituents on the formation of rhenium carbyne and η2-vinyl complexes from the reactions of ReH5(PMe2Ph)3 with terminal alkynes
• Authors of publication: He, Guomei; Fan, Ting; Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 6
• Pages of publication: 1823
• a: 8.202 ± 0.0003 Å
• b: 14.2941 ± 0.0006 Å
• c: 15.4384 ± 0.0005 Å
• α: 75.737 ± 0.003°
• β: 88.315 ± 0.003°
• γ: 75.493 ± 0.003°
• Cell volume: 1697.27 ± 0.11 ų
• Cell temperature: 172.9 ± 0.3 K
• Ambient diffraction temperature: 172.9 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No