Information card for entry 7118069

Structure parameters

• Formula: C32 H31 Au N2
• Calculated formula: C32 H31 Au N2
• SMILES: [Au]12(c3c(c4[n]1c(cnc4)c1c2cc(cc1)C(C)(C)C)ccc(c3)C(C)(C)C)C#Cc1ccccc1
• Title of publication: Synthesis and luminescence modulation of pyrazine-based gold(III) pincer complexes
• Authors of publication: Julio Fernandez-Cestau; Benoit Bertrand; Maria Blaya; Garth A. Jones; Thomas J. Penfold; Manfred Bochmann
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16629
• a: 8.404 ± 0.0003 Å
• b: 13.1184 ± 0.0004 Å
• c: 23.6 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2601.83 ± 0.14 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No