Information card for entry 2207154

Structure parameters

• Chemical name: catena-poly[[tetraaquacobalt(II)-μ-pyrazine] phthalate]
• Formula: C12 H16 Co N2 O8
• Calculated formula: C12 H16 Co N2 O8
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([n]1cc[n](cc1)[Co]([OH2])([OH2])([OH2])[OH2])[n]1ccncc1.O=C([O-])c1ccccc1C(=O)[O-].O=C([O-])c1ccccc1C(=O)[O-]
• Title of publication: Rerefinement of <i>catena</i>-poly[[tetraaquacobalt(II)-μ-pyrazine] phthalate] in a lower-symmetry space group
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2297 - m2298
• a: 9.4033 ± 0.0006 Å
• b: 10.2886 ± 0.0007 Å
• c: 7.1791 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 694.55 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 44
• Hermann-Mauguin space group symbol: I m m 2
• Hall space group symbol: I 2 -2
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes