Information card for entry 7705500

Structure parameters

• Formula: C5 H4 S3 Se
• Calculated formula: C5 H4 S3 Se
• SMILES: [Se]1C2SC(=S)SC=2CC1
• Title of publication: Conducting neutral gold bisdithiolene complex [Au(dspdt)₂]˙.
• Authors of publication: Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13737 - 13743
• a: 7.4929 ± 0.0002 Å
• b: 11.727 ± 0.0003 Å
• c: 16.9268 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1487.35 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0458
• 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