Information card for entry 4323443

Structure parameters

• Formula: C5 H22 Co N5 O6 S2
• Calculated formula: C5 H22 Co N5 O6 S2
• SMILES: [Co]12([NH2]CC[NH2]2)([NH2]CC[NH2]1)(C)[NH3].S(=O)(=O)([O-])S(=O)(=O)[O-]
• Title of publication: NMR Spectroscopic Characterization of Methylcobalt(III) Compounds with Classical Ligands. Crystal Structures of [Co(NH3)5(CH3)]S2O6, trans-[Co(en)2(NH3)(CH3)]S2O6 (en = 1,2-Ethanediamine), and [Co(NH3)6]-mer,trans-[Co(NO2)3(NH3)2(CH3)]2-trans-[Co(NO2)4(NH3)2]
• Authors of publication: Pauli Kofod; Pernille Harris; Sine Larsen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2258 - 2266
• a: 12.211 ± 0.003 Å
• b: 10.107 ± 0.003 Å
• c: 11.514 ± 0.003 Å
• α: 90 ± 0.003°
• β: 90 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 1421 ± 0.7 ų
• Cell temperature: 122 ± 0.5 K
• Ambient diffraction temperature: 122 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for all reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections: 1.565
• Goodness-of-fit parameter for significantly intense reflections: 1.58
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No