Information card for entry 4080415

Structure parameters

• Formula: C32 H37 Au2 Cl3 N4
• Calculated formula: C32 H37 Au2 Cl3 N4
• SMILES: [Au]12([n]3c(n(CCCCCC)c4ccccc34)c3c2c(c2[n]1c1ccccc1n2CCCCCC)ccc3)Cl.[Au](Cl)[Cl-]
• Title of publication: Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds
• Authors of publication: Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1807
• a: 8.5265 ± 0.0007 Å
• b: 26.266 ± 0.002 Å
• c: 15.2847 ± 0.0011 Å
• α: 90°
• β: 111.294 ± 0.005°
• γ: 90°
• Cell volume: 3189.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0417
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.315
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No