Information card for entry 7000061

Structure parameters

• Formula: C12 H20 Au N3
• Calculated formula: C12 H20 Au N3
• SMILES: [Au](C#N)=C1N(C(C)(C)C)C=CN1C(C)(C)C
• Title of publication: Synthetic, structural and spectroscopic studies of (pseudo)halo(1,3-di-tert-butylimidazol-2-ylidine)gold complexes.
• Authors of publication: Baker, Murray V.; Barnard, Peter J.; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 37 - 43
• a: 12.6785 ± 0.0008 Å
• b: 12.6643 ± 0.0008 Å
• c: 17.52 ± 0.001 Å
• α: 90°
• β: 92.9 ± 0.002°
• γ: 90°
• Cell volume: 2809.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No