Information card for entry 4323442

Structure parameters

• Formula: C H18 Co N5 O6 S2
• Calculated formula: C H18 Co N5 O6 S2
• SMILES: [Co](C)([NH3])([NH3])([NH3])([NH3])[NH3].S(=O)(=O)(S(=O)(=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: 6.4856 ± 0.0009 Å
• b: 18.072 ± 0.0011 Å
• c: 9.7854 ± 0.0014 Å
• α: 90°
• β: 98.28 ± 0.013°
• γ: 90°
• Cell volume: 1135 ± 0.2 ų
• Cell temperature: 122 ± 0.5 K
• Ambient diffraction temperature: 122 ± 0.5 K
• Number of distinct elements: 6
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.0728
• Goodness-of-fit parameter for all reflections: 1.116
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No