Information card for entry 1100865

Structure parameters

• Formula: C23 H32 Au Cl N2
• Calculated formula: C23 H32 Au Cl N2
• SMILES: [Au](Cl)=C1N(C23CC4CC(CC(C4)C2)C3)C=CN1C12CC3CC(CC(C3)C1)C2
• 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: 14.5735 ± 0.0007 Å
• b: 11.7626 ± 0.0006 Å
• c: 12.9098 ± 0.0006 Å
• α: 90°
• β: 111.449 ± 0.001°
• γ: 90°
• Cell volume: 2059.76 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No