Information card for entry 7027623

Structure parameters

• Formula: C13 H11 N2 O5 Re
• Calculated formula: C13 H11 N2 O5 Re
• SMILES: [Re]12(OC(=O)c3[n]1cccc3)(OC(=O)c1[n]2cccc1)(=O)C
• Title of publication: Synthesis, structural characterization and catalytic properties of a novel monomeric rhenium(V)methyl(oxo)bis(η2-picolinato) complex: [CH3Re(O)(pic)2] †
• Authors of publication: Deloffre, Alexis; Halut, Sabine; Salles, Laurent; Brégeault, Jean-Marie; Gregorio, José Ribeiro; Denise, Bernard; Rudler, Henri
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 2897
• a: 28.339 ± 0.007 Å
• b: 7.07 ± 0.003 Å
• c: 15.124 ± 0.003 Å
• α: 90°
• β: 111.75 ± 0.02°
• γ: 90°
• Cell volume: 2814.5 ± 1.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0392
• Goodness-of-fit parameter for significantly intense reflections: 1.0467
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No