Information card for entry 4082824

Structure parameters

• Formula: C26 H16 N4 S4
• Calculated formula: C26 H16 N4 S4
• SMILES: C1(SC(=C(c2ccncc2)S1)c1ccncc1)=C1SC(=C(c2ccncc2)S1)c1ccncc1
• Title of publication: Electron-Rich Arene‒Ruthenium Metalla-architectures Incorporating Tetrapyridyl‒Tetrathiafulvene Donor Moieties
• Authors of publication: Vajpayee, Vaishali; Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Popp, Brian V.; Garci, Amine; Therrien, Bruno; Sallé, Marc
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1651
• a: 5.699 ± 0.001 Å
• b: 11.373 ± 0.001 Å
• c: 17.859 ± 0.003 Å
• α: 90°
• β: 94.07 ± 0.02°
• γ: 90°
• Cell volume: 1154.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No