Information card for entry 4064377

Structure parameters

• Formula: C12 H24 Au Br2 Cl2 N3
• Calculated formula: C12 H24 Au Br2 Cl2 N3
• SMILES: [Au](Br)(Br)(Cl)=C1N(C)C=CN1CC[NH+](C(C)C)C(C)C.[Cl-]
• Title of publication: Synthesis and Characterization of Silver(I), Gold(I), and Gold(III) Complexes Bearing Amino-Functionalized N-Heterocyclic Carbenes
• Authors of publication: Topf, Christoph; Hirtenlehner, Christa; Zabel, Manfred; List, Manuela; Fleck, Michel; Monkowius, Uwe
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2755
• a: 10.6554 ± 0.0011 Å
• b: 26.78 ± 0.003 Å
• c: 13.8517 ± 0.0017 Å
• α: 90°
• β: 98.071 ± 0.014°
• γ: 90°
• Cell volume: 3913.5 ± 0.8 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 6
• 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: 0.074
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No