Information card for entry 4085133

Structure parameters

• Formula: C33 H24 Au Cl N2
• Calculated formula: C33 H24 Au Cl N2
• SMILES: [Au](Cl)=C1N(C=CN1C1c2ccccc2C=Cc2ccccc12)C1c2ccccc2C=Cc2ccccc12
• Title of publication: Synthesis and Characterization of Gold(I) Complexes of Dibenzotropylidene-Functionalized NHC Ligands (Trop-NHCs)
• Authors of publication: Brill, Marcel; Collado, Alba; Cordes, David B.; Slawin, Alexandra M. Z.; Vogt, Matthias; Grützmacher, Hansjörg; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 263
• a: 13.0992 ± 0.0009 Å
• b: 19.2568 ± 0.0013 Å
• c: 20.4869 ± 0.0015 Å
• α: 90°
• β: 93.1599 ± 0.0017°
• γ: 90°
• Cell volume: 5159.9 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0291
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No