Information card for entry 7003326

Structure parameters

• Formula: C15 H18 F6 N6 O3 P Re
• Calculated formula: C15 H18 F6 N6 O3 P Re
• SMILES: [Re](C#[O])(C#[O])(C#[O])([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C.[P](F)(F)(F)(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: 8.336 ± 0.005 Å
• b: 13.146 ± 0.008 Å
• c: 10.254 ± 0.006 Å
• α: 90°
• β: 96.923 ± 0.011°
• γ: 90°
• Cell volume: 1115.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No