Information card for entry 7118068

Structure parameters

• Formula: C29 H33 Au N4
• Calculated formula: C29 H33 Au N4
• SMILES: c12c3c([Au]4(c5c(c(cnc1)[n]24)ccc(c5)C(C)(C)C)n1c(cc(C)n1)C)cc(cc3)C(C)(C)C
• 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: 10.4846 ± 0.0007 Å
• b: 21.4472 ± 0.0015 Å
• c: 11.2718 ± 0.0008 Å
• α: 90 ± 0.001°
• β: 94.619 ± 0.002°
• γ: 90 ± 0.001°
• Cell volume: 2526.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0295
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No