Information card for entry 4063447

Structure parameters

• Formula: C27.5 H37 Au Cl4 N2
• Calculated formula: C27.5 H37 Au Cl4 N2
• SMILES: [Au](Cl)(Cl)(Cl)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.C(Cl)Cl
• 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: 10.553 ± 0.002 Å
• b: 16.412 ± 0.003 Å
• c: 19.067 ± 0.004 Å
• α: 91.649 ± 0.01°
• β: 105.992 ± 0.008°
• γ: 107.01 ± 0.04°
• Cell volume: 3014.1 ± 1.3 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: 0.1009
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No