Information card for entry 7005463

Structure parameters

• Formula: C10 H5 F3 N O7 Re S
• Calculated formula: C10 H5 F3 N O7 Re S
• SMILES: [Re]1([n]2ccccc2C=[O]1)(C#[O])(C#[O])(C#[O])OS(=O)(=O)C(F)(F)F
• Title of publication: Pyridine-2-carboxaldehyde as ligand: synthesis and derivatization of carbonyl complexes.
• Authors of publication: Alvarez, Celedonio M.; García-Rodríguez, Raúl; Miguel, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3546 - 3554
• a: 8.547 ± 0.007 Å
• b: 8.892 ± 0.007 Å
• c: 10.399 ± 0.009 Å
• α: 70.449 ± 0.014°
• β: 72.368 ± 0.015°
• γ: 74.795 ± 0.016°
• Cell volume: 698.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No