Information card for entry 7028817

Structure parameters

• Formula: C19 H25 F6 N5 O4 P Re
• Calculated formula: C19 H25 F6 N5 O4 P Re
• SMILES: [Re]1([N]#CC)(C#[O])(C#[O])(C#[O])=C2N(C=CN2CCN2C=1N(C=C2)C)C.O1CCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.
• Authors of publication: Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2259 - 2271
• a: 17.6769 ± 0.0007 Å
• b: 13.3006 ± 0.0005 Å
• c: 10.9901 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2583.92 ± 0.17 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No