Information card for entry 2011073

Structure parameters

• Chemical name: 1,1-bis(dimethylthiourea)-2,2-dicyano-digold(I)
• Formula: C8 H16 Au2 N6 S2
• Calculated formula: C8 H16 Au2 N6 S2
• SMILES: [Au]([Au](C#N)C#N)([S]=C(NC)NC)[S]=C(NC)NC
• Title of publication: 1,2-Dicyano-1,2-bis(imidazolidine-2-thione)digold(I) and 2,2-dicyano-1,1-bis(dimethylthiourea)digold(I)
• Authors of publication: Stocker, Fred B.; Britton, Doyle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 798 - 800
• a: 13.3922 ± 0.0002 Å
• b: 7.817 ± 0.0001 Å
• c: 14.9588 ± 0.0003 Å
• α: 90°
• β: 94.506 ± 0.001°
• γ: 90°
• Cell volume: 1561.15 ± 0.04 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 5
• 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: 0.032
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes