Information card for entry 4085131

Structure parameters

• Formula: C30 H30 Au Cl N2
• Calculated formula: C30 H30 Au Cl N2
• SMILES: [Au](Cl)=C1N(C=CN1C1c2ccccc2C=Cc2ccccc12)c1c(cccc1C(C)C)C(C)C
• 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: 12.4696 ± 0.0012 Å
• b: 13.7218 ± 0.0013 Å
• c: 15.3914 ± 0.0016 Å
• α: 90°
• β: 99.851 ± 0.003°
• γ: 90°
• Cell volume: 2594.7 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No