Information card for entry 7030823

Structure parameters

• Formula: C33 H48 Co N7 O17
• Calculated formula: C33 H48 Co N7 O17
• SMILES: [Co]1234([N](CCN1C(=O)c1ccc(c[n]21)C(=O)OC)(CCN3C(=O)c1ccc(c[n]41)C(=O)OC)CCNC(=O)c1ccc(cn1)C(=O)OC)OC(=O)C.CO.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: 16.3575 ± 0.0009 Å
• b: 17.3926 ± 0.0009 Å
• c: 14.9132 ± 0.0008 Å
• α: 90°
• β: 110.956 ± 0.006°
• γ: 90°
• Cell volume: 3962.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No