Information card for entry 7026990

Structure parameters

• Common name: (o-xylylNC)AuCl
• Formula: C9 H9 Au Cl N
• Calculated formula: C9 H9 Au Cl N
• SMILES: [Au](C#[N]c1c(cccc1C)C)Cl
• Title of publication: Effects of anions on the solid state structures of linear gold(I) complexes of the type (o-xylyl isocyanide)gold(I) (monoanion)
• Authors of publication: Ecken, Holger; Olmstead, Marilyn M.; Noll, Bruce C.; Attar, Saeed; Schlyer, Bruce; Balch, Alan L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3715
• a: 10.614 ± 0.003 Å
• b: 17.216 ± 0.004 Å
• c: 11.011 ± 0.003 Å
• α: 90°
• β: 97.93 ± 0.02°
• γ: 90°
• Cell volume: 1992.8 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No