Information card for entry 2006680

Structure parameters

• Chemical name: Bis(diethylthiourea)gold(I) percholorate
• Formula: C10 H24 Au Cl N4 O4 S2
• Calculated formula: C10 H24 Au Cl N4 O4 S2
• SMILES: [Au]([S]=C(NCC)NCC)[S]=C(NCC)NCC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate
• Authors of publication: Richard J. Staples; John P. Fackler Jr; Juan Costamagna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1555 - 1558
• a: 7.278 ± 0.001 Å
• b: 12.127 ± 0.003 Å
• c: 21.118 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1863.9 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections: 0.1714
• Weighted residual factors for significantly intense reflections: 0.1505
• Goodness-of-fit parameter for all reflections: 1.116
• Goodness-of-fit parameter for significantly intense reflections: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No