Information card for entry 2235686

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaquanickel(II)]- μ-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)- κ^2^<i>O</i>^1^:<i>O</i>^8^-[tetraaquanickel(II)]- μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Formula: C28 H28 N2 Ni2 O18
• Calculated formula: C28 H28 N2 Ni2 O18
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])(OC(=O)c1ccc(C(=O)[O-])c2c1C(=O)c1c(C(=O)[O-])ccc(c1C2=O)C(=O)O[Ni]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Ni]([OH2])([OH2])([OH2])([OH2])OC(=O)c1ccc(C(=O)[O-])c2c1C(=O)c1c(C(=O)[O-])ccc(c1C2=O)C(=O)O[Ni]([OH2])([OH2])([OH2])[OH2])[n]1ccc(cc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[tetraaquanickel(II)]-μ-(9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^8^-[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Liu, Yang-Mei; Cao, Kai; Wang, Feng-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m960 - m961
• a: 8.6359 ± 0.0016 Å
• b: 21.2426 ± 0.0012 Å
• c: 8.6416 ± 0.0013 Å
• α: 90°
• β: 92.789 ± 0.003°
• γ: 90°
• Cell volume: 1583.4 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes