Information card for entry 4063444

Structure parameters

• Formula: C46 H64 Au2 Cl4 N4
• Calculated formula: C46 H64 Au2 Cl4 N4
• SMILES: [Au](Cl)(Cl)(Cl)=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3.[Au](Cl)=C1N(C=CN1C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3
• Title of publication: Synthetic and Structural Studies of [AuCl3(NHC)] Complexes
• Authors of publication: Gaillard, Sylvain; Slawin, Alexandra M. Z.; Bonura, Allen T.; Stevens, Edwin D.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 394
• a: 12.378 ± 0.003 Å
• b: 13.778 ± 0.003 Å
• c: 14.681 ± 0.003 Å
• α: 108.709 ± 0.007°
• β: 104.723 ± 0.008°
• γ: 97.566 ± 0.009°
• Cell volume: 2230.6 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No