Information card for entry 7053127

Structure parameters

• Formula: C33.25 H40 Cl2 F3 O0.25 P3 Re
• Calculated formula: C33.25 H39 Cl2 F3 O0.25 P3 Re
• 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: 10.7952 ± 0.0003 Å
• b: 12.6871 ± 0.0004 Å
• c: 13.8264 ± 0.0004 Å
• α: 90.643 ± 0.003°
• β: 98.261 ± 0.002°
• γ: 108.65 ± 0.003°
• Cell volume: 1772.3 ± 0.1 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No