Information card for entry 4080413

Structure parameters

• Formula: C66 H77 Au2 Cl6 Hg N9
• Calculated formula: C66 H77 Au2 Cl6 Hg N9
• 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: 14.3254 ± 0.0011 Å
• b: 15.6412 ± 0.0015 Å
• c: 16.3321 ± 0.0014 Å
• α: 113.031 ± 0.003°
• β: 95.462 ± 0.003°
• γ: 94.456 ± 0.003°
• Cell volume: 3326 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No