Information card for entry 2205321

Structure parameters

• Chemical name: catena-Poly[[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ-4- carboxyphenoxyacetato-κ^3^O,O':O'']
• Formula: C21 H16 Co N2 O6
• Calculated formula: C21 H16 Co N2 O6
• SMILES: [Co]12([O]=C(O1)c1ccc(OCC([O-])=O)cc1)([OH2])([n]1cccc3ccc4ccc[n]2c4c13)OC(=O)COc1ccc(C2=[O][Co]3(O2)([OH2])[n]2cccc4ccc5ccc[n]3c5c24)cc1
• Title of publication: <i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-4-carboxyphenoxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']
• Authors of publication: Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Liu, Ji-Wei; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m496 - m498
• a: 9.5043 ± 0.0019 Å
• b: 9.812 ± 0.002 Å
• c: 11.584 ± 0.002 Å
• α: 70.73 ± 0.03°
• β: 67.49 ± 0.03°
• γ: 83.26 ± 0.03°
• Cell volume: 942 ± 0.4 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: 0.0612
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes