Information card for entry 2201321

Structure parameters

• Common name: CUmof-4
• Chemical name: catena-poly[[[tetraaquacobalt(II)]-μ-1,2-bis(4-pyridyl)ethane-κ^2^N:N] 2,6-naphthalenedicarboxylate]
• Formula: C24 H26 Co N2 O8
• Calculated formula: C24 H26 Co N2 O8
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)CCc1ccncc1)[n]1ccc(cc1)CCc1cc[n](cc1)[Co]([OH2])([OH2])([OH2])[OH2].[O-]C(=O)c1ccc2cc(C(=O)[O-])ccc2c1.[O-]C(=O)c1ccc2cc(C(=O)[O-])ccc2c1
• Title of publication: A one-dimensional Co^II^ coordination polymer exhibiting an unusual conformation for 1,2-bis(4-pyridyl)ethane
• Authors of publication: Almeida Paz, Filipe A.; Bond, Andrew D.; Khimyak, Yaroslav Z.; Klinowski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m691 - m693
• a: 6.3586 ± 0.0012 Å
• b: 7.0047 ± 0.001 Å
• c: 13.529 ± 0.002 Å
• α: 88.463 ± 0.011°
• β: 77.165 ± 0.008°
• γ: 68.056 ± 0.009°
• Cell volume: 543.91 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes