Information card for entry 4080414

Structure parameters

• Formula: C32 H37 Au2 Cl5 N4
• Calculated formula: C32 H37 Au2 Cl5 N4
• SMILES: CCCCCCn1c2c3c4c(c5[n](c6ccccc6n5CCCCCC)[Au]4([n]2c2ccccc12)Cl)ccc3.Cl[Au](Cl)(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: 28.3108 ± 0.0013 Å
• b: 28.3108 ± 0.0013 Å
• c: 8.6035 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6895.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No