Information card for entry 7030822

Structure parameters

• Formula: C30 H39 Co N7 O13.5
• Calculated formula: C30 H30 Co N7 O13.5
• SMILES: C1CN2C(=O)c3ccc(c[n]3[Co]3452N(CCN1CCN3C(=O)c1ccc(c[n]51)C(=O)OC)C(=O)c1ccc(c[n]41)C(=O)OC)C(=O)OC.O.O.O.O.O
• Title of publication: A highly selective colorimetric chemosensor for cobalt(ii) ions based on a tripodal amide ligand.
• Authors of publication: Zhou, Jing-Ru; Liu, Da-Peng; He, Yue; Kong, Xiang-Jian; Zhang, Zhi-Ming; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11579 - 11586
• a: 13.1062 ± 0.0016 Å
• b: 13.1062 ± 0.0016 Å
• c: 35.354 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5259.2 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No