Information card for entry 2217038

Structure parameters

• Chemical name: Poly[[[tetraaquacobalt(II)]-μ-bipyridine] terephthalate]
• Formula: C18 H20 Co N2 O8
• Calculated formula: C18 H20 Co N2 O8
• SMILES: O=C(c1ccc(cc1)C(=O)[O-])[O-].[Co][n]1ccccc1c1cccc[n]1[Co]([OH2])([OH2])([OH2])([OH2])[n]1ccccc1c1cccc[n]1[Co]
• Title of publication: Poly[[[tetraaquacobalt(II)]-μ-bipyridine] terephthalate]
• Authors of publication: Haiyun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m103 - m103
• a: 6.9516 ± 0.0016 Å
• b: 11.309 ± 0.003 Å
• c: 12.047 ± 0.003 Å
• α: 90°
• β: 113.439 ± 0.011°
• γ: 90°
• Cell volume: 868.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes