Information card for entry 7003328

Structure parameters

• Formula: C16 H21 Cl2 N6 O7 Re S
• Calculated formula: C16 H21 Cl2 N6 O7 Re S
• SMILES: [Re]([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)(C#[O])(C#[O])C#[O].ClCCl.S(=O)(=O)([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: 7.1111 ± 0.0014 Å
• b: 10.866 ± 0.002 Å
• c: 16.743 ± 0.003 Å
• α: 97.15 ± 0.03°
• β: 96.72 ± 0.03°
• γ: 107.55 ± 0.03°
• Cell volume: 1207.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No