Information card for entry 4063443

Structure parameters

• Formula: C27 H34 Au Cl3 N2
• Calculated formula: C27 H34 Au Cl3 N2
• SMILES: [Au](Cl)=C1N(C(Cl)=C(Cl)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(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: 20.894 ± 0.006 Å
• b: 14.139 ± 0.003 Å
• c: 22.956 ± 0.006 Å
• α: 90°
• β: 113.173 ± 0.006°
• γ: 90°
• Cell volume: 6235 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.2929
• Weighted residual factors for all reflections included in the refinement: 0.3289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No