Information card for entry 4311629

Structure parameters

• Common name: Aqua Methyl Cobalt ethanediamine
• Formula: C5 H21 Co N4 O7 S2
• Calculated formula: C5 H19 Co N4 O7 S2
• SMILES: [Co]12([OH2])(C)([NH2]CC[NH2]1)[NH2]CC[NH2]2.S(=O)(=O)([O-])S(=O)(=O)[O-]
• Title of publication: Mechanistic Elucidation of the Substitution Behavior of Alkyl Cobaloximes in Water and Methanol as Solvents
• Authors of publication: Basam M. Alzoubi; Günter Liehr; Rudi van Eldik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6093 - 6100
• a: 19.913 ± 0.01 Å
• b: 12.094 ± 0.01 Å
• c: 11.754 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2831 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No