Information card for entry 2241458

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[<i>trans</i>-bis(acetonitrile-κ<i>N</i>)diaquacobalt(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]
• Formula: C8 H14 Co N6 O8
• Calculated formula: C8 H14 Co N6 O8
• SMILES: [Co]([OH2])([OH2])([N]#CC)([N]#CC)([n]1cc[n](cc1)[Co]([OH2])([OH2])([N]#CC)[N]#CC)[n]1ccncc1.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Crystal structure of <i>catena</i>-poly[[[<i>trans</i>-bis(acetonitrile-κ<i>N</i>)diaquacobalt(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]
• Authors of publication: Liu, Chen; Felts, Ashley C.; Thuijs, Annaliese E.; Useche, Aaron; Abboud, Khalil A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 151 - 154
• a: 7.0798 ± 0.0003 Å
• b: 15.0376 ± 0.0006 Å
• c: 7.9329 ± 0.0003 Å
• α: 90°
• β: 110.88 ± 0.0006°
• γ: 90°
• Cell volume: 789.1 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0206
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes