Information card for entry 4079220

Structure parameters

• Formula: C41 H37 Cl2 O2 P2 Re
• Calculated formula: C41 H37 Cl2 O2 P2 Re
• SMILES: [Re]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(OC(C)CC\1=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O
• 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: 18.1396 ± 0.0018 Å
• b: 12.426 ± 0.0012 Å
• c: 16.6718 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3757.9 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No