Information card for entry 4084216

Structure parameters

• Common name: Au(III)ONOCl
• Chemical name: toste114
• Formula: C7 H3 Au Cl N O4
• Calculated formula: C7 H3 Au Cl N O4
• SMILES: C1(=O)c2cccc3C(=O)O[Au]([n]23)(O1)Cl
• Title of publication: Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.
• Authors of publication: Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4169 - 4172
• a: 6.267 ± 0.0006 Å
• b: 9.1743 ± 0.0009 Å
• c: 15.1903 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 873.37 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No