Information card for entry 7024022

Structure parameters

• Formula: C10 H10 N2 S6
• Calculated formula: C10 H10 N2 S6
• SMILES: C1(/SC(=S)N(C1=S)CC)=C1\SC(=S)N(C1=S)CC
• Title of publication: A sulfur rich electron acceptor and its [Fe(Cp*)2](+) charge transfer salt with ferromagnetic interactions.
• Authors of publication: Le Gal, Yann; Bellec, Nathalie; Barrière, Frédéric; Clérac, Rodolphe; Fourmigué, Marc; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16672 - 16675
• a: 7.4387 ± 0.0005 Å
• b: 8.1655 ± 0.0007 Å
• c: 12.5242 ± 0.0009 Å
• α: 108.826 ± 0.004°
• β: 101.941 ± 0.004°
• γ: 91.319 ± 0.004°
• Cell volume: 701.13 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No