Information card for entry 4334386

Structure parameters

• Formula: C16 H24 Ag F3 N4 O3 S
• Calculated formula: C16 H24 Ag F3 N4 O3 S
• SMILES: C12N(CCCCCCCN3C(=[Ag]=2)N(C=C3)C)C=CN1C.FC(F)(S(=O)(=O)[O-])F
• Title of publication: Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands
• Authors of publication: Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4071 - 4083
• a: 8.3251 ± 0.0008 Å
• b: 13.3513 ± 0.0012 Å
• c: 18.0199 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2002.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No