Information card for entry 4079222

Structure parameters

• Formula: C44 H43 Cl6 O2 P2 Re
• Calculated formula: C44 H43 Cl6 O2 P2 Re
• Title of publication: Synthesis of Alkenyl Ylide Complexes from Reactions of ReOCl2(OEt)(PPh3)2with Alkynols
• Authors of publication: Poon, Ka Chun; Shi, Chuan; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7085
• a: 9.0637 ± 0.0003 Å
• b: 14.3757 ± 0.0005 Å
• c: 18.2998 ± 0.0006 Å
• α: 70.427 ± 0.003°
• β: 82.255 ± 0.003°
• γ: 80.04 ± 0.003°
• Cell volume: 2205.17 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0534
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No