Information card for entry 2210962

Structure parameters

• Chemical name: catena-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^N:N'] 1,2-phenylenedioxydiacetate 4,4'-bipyridine hemisolvate dihydrate]
• Formula: C25 H32 Co N3 O12
• Calculated formula: C25 H32 Co N3 O12
• SMILES: [Co]([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([OH2])([OH2])[n]1ccc(c2cc[n]([Co]([OH2])([OH2])([OH2])[OH2])cc2)cc1.c1cccc(c1OCC(=O)[O-])OCC(=O)[O-].c1c[c]ccn1.O.O.c1cccc(c1OCC(=O)[O-])OCC(=O)[O-].c1c[c]ccn1.O.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 1,2-phenylenedioxydiacetate 4,4'-bipyridine hemisolvate dihydrate]
• Authors of publication: Gao, Jin-Sheng; Hou, Guang-Feng; Yu, Ying-Hui; Hou, Yan-Jun; Yan, Peng-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2913 - m2915
• a: 9.7417 ± 0.0019 Å
• b: 11.443 ± 0.002 Å
• c: 13.916 ± 0.003 Å
• α: 73.19 ± 0.03°
• β: 80.46 ± 0.03°
• γ: 69.63 ± 0.03°
• Cell volume: 1388.5 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes