Information card for entry 7003325

Structure parameters

• Formula: C16 H18 F3 N6 O6 Re S
• Calculated formula: C16 H18 F3 N6 O6 Re S
• SMILES: [Re]([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Second-sphere interaction of anions with a weakly binding metal complex host: probing the effect of counteranions
• Authors of publication: Pérez, Julio; Riera, Lucía; Ion, Laura; Riera, Víctor; Anderson, Kirsty M.; Steed, Jonathan W.; Miguel, Daniel
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 878 - 886
• a: 7.0294 ± 0.0008 Å
• b: 12.1099 ± 0.0014 Å
• c: 13.4786 ± 0.0016 Å
• α: 95.45 ± 0.002°
• β: 98.829 ± 0.002°
• γ: 90.805 ± 0.002°
• Cell volume: 1128.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0307
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No