Information card for entry 7003330

Structure parameters

• Formula: C30 H24 N7 O6 Re
• Calculated formula: C30 H24 N7 O6 Re
• SMILES: [Re]([n]1cn(cc1)c1ccccc1)([n]1cn(cc1)c1ccccc1)([n]1cn(cc1)c1ccccc1)(C#[O])(C#[O])C#[O].O=N(=O)[O-]
• 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: 10.5765 ± 0.0014 Å
• b: 24.603 ± 0.003 Å
• c: 11.3361 ± 0.0014 Å
• α: 90°
• β: 90.57 ± 0.003°
• γ: 90°
• Cell volume: 2949.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No