Information card for entry 4303549

Structure parameters

• Common name: HacphNCAuCl
• Chemical name: (3-(4-isocyanophenyl)-2,4-pentanedione-C)chloridogold
• Formula: C12 H11 Au Cl N O2
• Calculated formula: C12 H11 Au Cl N O2
• SMILES: [Au](C#[N]c1ccc(C(=C(/O)C)/C(=O)C)cc1)Cl
• Title of publication: Preparation of an Isocyano-β-diketone via its Metal Complexes, by Use of Metal Ions as Protecting Groups
• Authors of publication: Yixun Zhang; Andrew W. Maverick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10512 - 10518
• a: 14.638 ± 0.003 Å
• b: 6.4219 ± 0.0012 Å
• c: 14.919 ± 0.002 Å
• α: 90°
• β: 117.761 ± 0.006°
• γ: 90°
• Cell volume: 1241 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No