Information card for entry 2236329

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato- κ<i>O</i>]cobalt(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>']
• Formula: C32 H30 Co N2 O10
• Calculated formula: C32 H30 Co N2 O10
• SMILES: [Co](OC(=O)C[C@@H]1OC(=O)c2c1cccc2)([OH2])(OC(=O)C[C@H]1OC(=O)c2c1cccc2)([OH2])([n]1ccc(cc1)CCc1cc[n](cc1)[Co](OC(=O)C[C@@H]1OC(=O)c2c1cccc2)(OC(=O)C[C@H]1OC(=O)c2c1cccc2)([OH2])[OH2])[n]1ccc(cc1)CCc1ccncc1
• Title of publication: <i>catena</i>-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato-κ<i>O</i>]cobalt(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Sun, Changyan; Li, Yang; Li, Wenjun; Dong, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1433
• a: 5.4599 ± 0.0012 Å
• b: 10.374 ± 0.002 Å
• c: 13.617 ± 0.003 Å
• α: 93.912 ± 0.004°
• β: 99.409 ± 0.004°
• γ: 97.651 ± 0.004°
• Cell volume: 750.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes