Information card for entry 7717390

Structure parameters

• Formula: C12 H6 O2 S4
• Calculated formula: C12 H6 O2 S4
• SMILES: S1C(=O)SC(=C1)c1cccc(c1)C1SC(=O)SC=1
• Title of publication: Electrostatic <i>vs.</i> electronic interactions within oxidized multinuclear Pt(bipyridine)(dithiolene) complexes.
• Authors of publication: Youssef, Khalil; Vacher, Antoine; Khrueawatthanawet, Thanaphon; Roisnel, Thierry; Barrière, Frédéric; Lorcy, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 48
• Pages of publication: 19388 - 19402
• a: 3.9743 ± 0.0006 Å
• b: 24.267 ± 0.004 Å
• c: 5.9919 ± 0.0009 Å
• α: 90°
• β: 90.252 ± 0.007°
• γ: 90°
• Cell volume: 577.88 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No