Information card for entry 4063446

Structure parameters

• Formula: C21 H24 Au Cl3 N2
• Calculated formula: C21 H24 Au Cl3 N2
• SMILES: [Au](Cl)(Cl)(Cl)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 10.635 ± 0.003 Å
• b: 13.808 ± 0.003 Å
• c: 15.447 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2268.4 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No