Information card for entry 2019578

Structure parameters

• Chemical name: Poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Formula: C38 H34 Co N2 O14
• Calculated formula: C38 H34 Co N2 O14
• SMILES: [Co](OC(=O)c1ccccc1Oc1ccc(cc1)C(=O)O)([OH2])(OC(=O)c1ccccc1Oc1ccc(cc1)C(=O)O)([OH2])[n]1ccc(cc1)c2cc[n](cc2)[Co](OC(=O)c3ccccc3Oc3ccc(cc3)C(=O)O)(OC(=O)c3ccccc3Oc3ccc(cc3)C(=O)O)([OH2])([OH2])[n]3ccc(cc3)c2ccncc2.O.O.O.O
• Title of publication: A one-dimensional cobalt(II) coordination polymer based on 2,4'-oxydibenzoic acid: poly[[[diaquabis[2-(4-carboxyphenoxy)benzoato-κ<i>O</i>^1^]cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Tang, Long; Fu, Feng; Wang, Ji-Jiang; Liu, Qi-Rui; Zhao, Hang-Hang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 654 - 658
• a: 12.3557 ± 0.001 Å
• b: 11.3518 ± 0.0009 Å
• c: 13.6847 ± 0.0011 Å
• α: 90°
• β: 107.283 ± 0.001°
• γ: 90°
• Cell volume: 1832.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes