Information card for entry 7000055

Structure parameters

• Formula: C12 H20 Au N3 Se
• Calculated formula: C12 H20 Au N3 Se
• SMILES: [Au](=C1N(C(C)(C)C)C=CN1C(C)(C)C)[Se]C#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: 7.6181 ± 0.0009 Å
• b: 9.83 ± 0.001 Å
• c: 10.83 ± 0.001 Å
• α: 81.402 ± 0.003°
• β: 82.135 ± 0.003°
• γ: 75.279 ± 0.003°
• Cell volume: 771.42 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections: 0.959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No