Information card for entry 4339588

Structure parameters

• Formula: C15 H12 F2 N2 O5 P Re
• Calculated formula: C15 H12 F2 N2 O5 P Re
• SMILES: [Re]1(OP(=O)(F)F)([n]2c(cccc2C)c2[n]1c(ccc2)C)(C#[O])(C#[O])C#[O]
• Title of publication: A thallium mediated route to sigma-arylalkynyl complexes of bipyridyltricarbonylrhenium(I).
• Authors of publication: Liddle, Brendan J.; Lindeman, Sergey V.; Reger, Daniel L.; Gardinier, James R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8484 - 8486
• a: 13.2407 ± 0.0002 Å
• b: 8.8947 ± 0.0001 Å
• c: 14.9325 ± 0.0002 Å
• α: 90°
• β: 104.337 ± 0.001°
• γ: 90°
• Cell volume: 1703.86 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No