Information card for entry 4086577

Structure parameters

• Formula: C19 H22 Au N O2 S2
• Calculated formula: C19 H22 Au N O2 S2
• SMILES: c12ccc(cc1c1cc(ccc1[Au]12[S]=C(N(CC)CC)S1)OC)OC
• Title of publication: Emissive Biphenyl Cyclometalated Gold(III) Diethyl Dithiocarbamate Complexes
• Authors of publication: Nilakantan, Lakshmi; McMillin, David R.; Sharp, Paul R.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2339
• a: 9.6573 ± 0.0007 Å
• b: 14.9056 ± 0.0011 Å
• c: 13.0267 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No