Information card for entry 7000056

Structure parameters

• Formula: C11 H20 Au N5
• Calculated formula: C11 H20 Au N5
• SMILES: [Au](=C1N(C(C)(C)C)C=CN1C(C)(C)C)N=N#N
• 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: 12.0971 ± 0.0006 Å
• b: 11.0236 ± 0.0006 Å
• c: 10.9938 ± 0.0006 Å
• α: 90°
• β: 103.898 ± 0.001°
• γ: 90°
• Cell volume: 1423.14 ± 0.13 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: 0.044
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No