Information card for entry 2218191

Structure parameters

• Chemical name: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2- hydroxybenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O'</i>-cobalt(II)
• Formula: C28 H22 Co N2 O6
• Calculated formula: C28 H22 Co N2 O6
• SMILES: [Co]12(OC(=[O]1)c1c(O)cccc1)(OC(=O)c1c(O)cccc1)[n]1c(C)ccc3ccc4ccc([n]2c4c13)C
• Title of publication: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(2-hydroxybenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-cobalt(II)
• Authors of publication: Zhao, Pei-Zheng; Xuan, Xiao-Peng; Tang, Qing-Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m740
• a: 11.436 ± 0.001 Å
• b: 16.528 ± 0.002 Å
• c: 13.426 ± 0.002 Å
• α: 90°
• β: 105.856 ± 0.001°
• γ: 90°
• Cell volume: 2441.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes