Information card for entry 2201281

Structure parameters

• Common name: {[Co(H2O)4(MeCN)2](NO3)2}
• Chemical name: Tetraaquobis(acetonitrile)cobalt(II) di-nitrate
• Formula: C4 H14 Co N4 O10
• Calculated formula: C4 H14 Co N4 O10
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([N]#CC)[N]#CC.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>trans</i>-Bis(acetonitrile)tetraaquacobalt(II) dinitrate at 150K
• Authors of publication: Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m444 - m446
• a: 7.7375 ± 0.0015 Å
• b: 13.029 ± 0.003 Å
• c: 7.7605 ± 0.0015 Å
• α: 90°
• β: 119.744 ± 0.003°
• γ: 90°
• Cell volume: 679.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes