Information card for entry 7008311

Structure parameters

• Formula: C20 H36 Co K2 O12 S4
• Calculated formula: C20 H32 Co K2 O12 S4
• SMILES: [K+].OC.[Co]12(OC(=O)C(=C(SCC)SCC)C(=O)O1)(OC(=O)C(=C(SCC)SCC)C(=O)O2)([OH]C)[OH]C.[K+].OC
• Title of publication: Tuning the intermolecular dative interactions by altering the ligand planarity and counter cations in vanadyl(IV) complexes.
• Authors of publication: Kim, Kwan Mook; Lee, Dongwon; Seo, Mi Sook; Park, Hyunjung; Song, Rita; Jun, Moo-Jin; Nam, Wonwoo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1567 - 1569
• a: 7.2415 ± 0.0019 Å
• b: 8.8575 ± 0.0016 Å
• c: 13.519 ± 0.002 Å
• α: 104.58 ± 0.014°
• β: 90.401 ± 0.017°
• γ: 95.754 ± 0.018°
• Cell volume: 834.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1437
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No