Information card for entry 1100863

Structure parameters

• Formula: C7 H12 Au Cl N2
• Calculated formula: C7 H12 Au Cl N2
• SMILES: [Au](Cl)=C1N(C)C(=C(N1C)C)C
• Title of publication: Synthesis and Structural Characterization of <i>N</i> -Heterocyclic Carbene Gold(I) Complexes
• Authors of publication: de Frémont, Pierre; Scott, Natalie M.; Stevens, Edwin D.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2411 - 2418
• a: 10.405 ± 0.002 Å
• b: 8.4073 ± 0.0018 Å
• c: 11.068 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 968.3 ± 0.4 ų
• Cell temperature: 396 ± 2 K
• Ambient diffraction temperature: 396 ± 2 K
• Number of distinct elements: 5
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No