Information card for entry 2223085

Structure parameters

• Chemical name: Bis{2-[2-(dimethylamino)ethyliminomethyl]-4,6-disulfanylphenolato}cobalt(II) monohydrate
• Formula: C22 H32 Co N4 O3 S4
• Calculated formula: C22 H32 Co N4 O3 S4
• SMILES: C1c2c(O[Co]3([N]=1CCN(C)C)[N](=Cc1c(c(cc(c1)S)S)O3)CCN(C)C)c(cc(c2)S)S.O
• Title of publication: Bis{2-[2-(dimethylamino)ethyliminomethyl]-4,6-disulfanylphenolato}cobalt(II) monohydrate
• Authors of publication: Cai, Ying-Jie; Li, Jin; Huang, Peng; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1146
• a: 12.3755 ± 0.0015 Å
• b: 9.2485 ± 0.0015 Å
• c: 22.827 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2612.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes