Information card for entry 1558037

Structure parameters

• Common name: A(+)589-[Co(en)2(N-formyloxamato)]ClO4
• Formula: C7 H17 Cl Co N5 O8
• Calculated formula: C7 H17 Cl Co N5 O8
• SMILES: [Co]123(OC(=O)C(=O)N1C=O)([NH2]CC[NH2]2)[NH2]CC[NH2]3.Cl(=O)(=O)(=O)[O-]
• Title of publication: Thionyl Chloride Oxidation of Chelated Glycinate in Bis(1,2-ethanediamine)glycinatocobalt(III): Syntheses of N,O-bound N-Formyl Oxamate and Thiooxamate
• Authors of publication: Grondahl, Lisbeth; Hammershoi, Anders; Hartshorn, Richard M.; Sargeson, Alan M.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 781 - 791
• a: 7.871 ± 0.002 Å
• b: 8.311 ± 0.002 Å
• c: 21.307 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1393.8 ± 0.6 ų
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No