Information card for entry 7026992

Structure parameters

• Common name: (o-xylylNC)AuI
• Formula: C9 H9 Au I N
• Calculated formula: C9 H9 Au I N
• SMILES: I[Au]C#[N]c1c(cccc1C)C
• 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: 6.8591 ± 0.0006 Å
• b: 20.3967 ± 0.0017 Å
• c: 15.5101 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2169.9 ± 0.3 ų
• Cell temperature: 169 ± 2 K
• Ambient diffraction temperature: 169 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No