Information card for entry 4063450

Structure parameters

• Formula: C11 H20 Au Cl3 N2
• Calculated formula: C11 H20 Au Cl3 N2
• SMILES: [Au](Cl)(Cl)(Cl)=C1N(C=CN1C(C)(C)C)C(C)(C)C
• 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: 9.091 ± 0.002 Å
• b: 15.134 ± 0.004 Å
• c: 11.724 ± 0.003 Å
• α: 90°
• β: 96.69 ± 0.007°
• γ: 90°
• Cell volume: 1602 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No