Information card for entry 4308040

Structure parameters

• Formula: C11 H8 F3 N2 O8 Re S
• Calculated formula: C11 H8 F3 N2 O8 Re S
• SMILES: [Re](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[n]1[nH]c(cc1C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Pyrazole Complexes as Anion Receptors: Effects of Changing the Metal, the Pyrazole Substitution Pattern, and the Number of Pyrazole Ligands
• Authors of publication: Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; James A. Golen; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3407 - 3418
• a: 9.407 ± 0.005 Å
• b: 18.291 ± 0.01 Å
• c: 10.21 ± 0.006 Å
• α: 90°
• β: 92.686 ± 0.011°
• γ: 90°
• Cell volume: 1754.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No