Information card for entry 4321432

Structure parameters

• Formula: C74 H110 Co2 N4 Na2 O16 S6
• Calculated formula: C74 H24 Co2 N4 Na2 O19.832 S6
• SMILES: [Co]12345Sc6ccccc6C(=O)[O]1[Na]1([O]3C(=O)c3c(S2)cccc3)([O]5C(=O)c2c(S4)cccc2)([O][Na]23([O]4[Co]56(Sc7ccccc7C4=O)(Sc4ccccc4C(=O)[O]25)Sc2ccccc2C(=O)[O]36)([O]1)[OH2])[OH2].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O.O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O.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: 12.168 ± 0.0002 Å
• b: 17.9288 ± 0.0002 Å
• c: 19.1155 ± 0.0002 Å
• α: 90°
• β: 92.659 ± 0.002°
• γ: 90°
• Cell volume: 4165.7 ± 0.09 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections: 0.2054
• Weighted residual factors for significantly intense reflections: 0.185
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No