Information card for entry 4334224

Structure parameters

• Common name: RRe(CO)3
• Formula: C19 H17 F3 N3 O6 Re S
• Calculated formula: C19 H17 F3 N3 O6 Re S
• SMILES: C=CC[N]12Cc3cccc[n]3[Re]2(C#[O])(C#[O])(C#[O])[n]2c(C1)cccc2.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Photo-initiated Thiol-ene Click Reactions as a Potential Strategy for Incorporation of [MI(CO)3]+ (M = Re, 99mTc) Complexes
• Authors of publication: Thomas R. Hayes; Patrice A. Lyon; Elsa Silva-Lopez; Brendan Twamley; Paul D. Benny
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3259 - 3267
• a: 8.8767 ± 0.0007 Å
• b: 20.2107 ± 0.0015 Å
• c: 12.5708 ± 0.0009 Å
• α: 90°
• β: 108.036 ± 0.001°
• γ: 90°
• Cell volume: 2144.4 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No