Information card for entry 7055658

Structure parameters

• Formula: C30 H56 Au N S8
• Calculated formula: C30 H56 Au N S8
• SMILES: C12=C(S[C@@H](C[C@@H](C)S2)C)S[Au]2(S1)SC1=C(S[C@@H](C[C@@H](C)S1)C)S2.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Chiral, radical, gold bis(dithiolene) complexes
• Authors of publication: Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 7113
• a: 13.6322 ± 0.0006 Å
• b: 13.9463 ± 0.0004 Å
• c: 20.562 ± 0.0008 Å
• α: 90°
• β: 101.23 ± 0.002°
• γ: 90°
• Cell volume: 3834.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No