Information card for entry 2205119

Structure parameters

• Chemical name: catena-Poly[bis[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]- di-μ-4,4'-oxydibenzoato-1:2κ^4^O:O']
• Formula: C52 H36 Co2 N4 O12
• Calculated formula: C52 H36 Co2 N4 O12
• SMILES: [Co]123([OH2])([n]4cccc5ccc6ccc[n]3c6c45)OC(=O)c3ccc(cc3)Oc3ccc(cc3)C(=O)[O]3[Co]4([OH2])([n]5cccc6ccc7c([n]4ccc7)c56)[O](C(=O)c4ccc(cc4)Oc4ccc(cc4)C(=O)[O-])[Co]34([OH2])([n]3cccc5ccc6ccc[n]4c6c35)OC(=O)c3ccc(cc3)Oc3ccc(cc3)C(=O)[O]2[Co]2([OH2])([n]3cccc4ccc5ccc[n]2c5c34)[O]1C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-di-μ-4,4'-oxydibenzoato-1:2κ^4^<i>O</i>:<i>O</i>']
• Authors of publication: Xiao, Hong-Ping; Li, Xin-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m344 - m345
• a: 7.7129 ± 0.0004 Å
• b: 11.5063 ± 0.0006 Å
• c: 13.3854 ± 0.0007 Å
• α: 82.614 ± 0.001°
• β: 83.165 ± 0.001°
• γ: 72.724 ± 0.001°
• Cell volume: 1120.8 ± 0.1 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: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes