Information card for entry 7030821

Structure parameters

• Formula: C30 H33 N7 O9
• Calculated formula: C30 H33 N7 O9
• SMILES: O=C(NCCN(CCNC(=O)c1ncc(cc1)C(=O)OC)CCNC(=O)c1ncc(cc1)C(=O)OC)c1ncc(cc1)C(=O)OC
• 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: 5.9605 ± 0.0006 Å
• b: 41.573 ± 0.005 Å
• c: 12.0127 ± 0.0011 Å
• α: 90°
• β: 102.063 ± 0.01°
• γ: 90°
• Cell volume: 2911 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1478
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No