Information card for entry 4334385

Structure parameters

• Formula: C16 H26 Au Br N4
• Calculated formula: C16 H26 Au Br N4
• SMILES: [Au]1=C2N(C=CN2CCCCCCCCN2C=1N(C=C2)C)C.[Br-].[Br-]
• 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: 11.3478 ± 0.0008 Å
• b: 18.1962 ± 0.0013 Å
• c: 18.3462 ± 0.0013 Å
• α: 90°
• β: 103.553 ± 0.002°
• γ: 90°
• Cell volume: 3682.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No