Information card for entry 4321431

Structure parameters

• Formula: C22 H30 N Na O5 S2 Zn
• Calculated formula: C22 H30 N Na O5 S2 Zn
• SMILES: [Zn]12(Sc3ccccc3C(=O)O1)Sc1ccccc1C(=O)O2.[Na+].[N+](CC)(CC)(CC)CC.O
• Title of publication: Unprecedented Stabilization of Cobalt(II) in a Tetrahedral S2O2 Environment: The Use of a Redox-Noninnocent Ligand
• Authors of publication: Núria Duran; William Clegg; Lourdes Cucurull-Sánchez; Robert A. Coxall; Hermas R. Jiménez; José-María Moratal; Francesc Lloret; Pilar González-Duarte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4821 - 4832
• a: 7.8669 ± 0.001 Å
• b: 14.358 ± 0.002 Å
• c: 21.503 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2428.8 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.0733
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No