Information card for entry 4334382

Structure parameters

• Formula: C24 H32 Au2 F6 N8 O6 S2
• Calculated formula: C24 H32 Au2 F6 N8 O6 S2
• SMILES: [Au](=C1N(CCCN2C(=[Au]3)N(C=C2)C)C=CN1C)=C1N(C=CN1CCCN1C=3N(C=C1)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• 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: 11.6722 ± 0.0012 Å
• b: 11.8585 ± 0.0012 Å
• c: 13.1933 ± 0.0013 Å
• α: 84.831 ± 0.002°
• β: 86.715 ± 0.002°
• γ: 61.664 ± 0.002°
• Cell volume: 1600.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No