Information card for entry 7011287

Structure parameters

• Formula: C22 H40 Ag2 B2 F8 N4 O2 S4
• Calculated formula: C22 H40 Ag2 B2 F8 N4 O2 S4
• SMILES: [B](F)(F)(F)[F-].C1C[S]2[Ag]34[N](CC[S]3CCO1)(CC2)CCC#[N][Ag]12[N]3(CC[S]1CCOCC[S]2CC3)CCC#[N]4.[B](F)(F)(F)[F-]
• Title of publication: Nitrile functionalised pendant-arm derivatives of aza- and mixed donor macrocyclic ligands as new building blocks for inorganic crystal engineering
• Authors of publication: Lorenzo Tei; Alexander J. Blake; Paul A. Cooke; Claudia Caltagirone; Francesco Demartin; Vito Lippolis; Francesca Morale; Claire Wilson; Martin Schröder
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1662 - 1670
• a: 6.941 ± 0.001 Å
• b: 21.102 ± 0.002 Å
• c: 11.534 ± 0.001 Å
• α: 90°
• β: 105.48 ± 0.01°
• γ: 90°
• Cell volume: 1628.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0827
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1118
• Weighted residual factors for significantly intense reflections: 0.1089
• Goodness-of-fit parameter for all reflections: 0.828
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No