Information card for entry 4110350

Structure parameters

• Common name: Cp-methyl-nitrosyl-(methyl-phenyl-(o-dimethylaminophenyl)phosphine)rhenium
• Formula: C21 H26 N2 O P Re
• Calculated formula: C21 H26 N2 O P Re
• SMILES: C[Re]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(N=O)[P@@](C)(c1ccccc1)c1ccccc1N(C)C
• Title of publication: Diastereoselective Proton Transfer: A Route to Enantiomerically Pure Half-Sandwich Rhenium Complexes
• Authors of publication: Frank Bock; Frank Fischer; Wolfdieter A. Schenk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 68 - 69
• a: 8.06 ± 0.002 Å
• b: 15.729 ± 0.005 Å
• c: 8.241 ± 0.003 Å
• α: 90°
• β: 106.582 ± 0.005°
• γ: 90°
• Cell volume: 1001.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No