Information card for entry 4334383

Structure parameters

• Formula: C17 H26 Au F3 I2 N4 O3 S
• Calculated formula: C17 H26 Au F3 I2 N4 O3 S
• SMILES: [Au]1(I)(I)=C2N(C=CN2CCCCCCCCN2C=1N(C=C2)C)C.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: 12.4763 ± 0.0009 Å
• b: 14.0791 ± 0.0011 Å
• c: 14.4855 ± 0.0011 Å
• α: 90°
• β: 91.767 ± 0.001°
• γ: 90°
• Cell volume: 2543.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0212
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No