Information card for entry 7030824

Structure parameters

• Formula: C30 H36 N8 O13
• Calculated formula: C30 H36 N8 O13
• SMILES: O=C(NCC[NH+](CCNC(=O)c1ncc(cc1)C(=O)OC)CCNC(=O)c1ncc(cc1)C(=O)OC)c1ncc(cc1)C(=O)OC.O.O=N(=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: 7.176 ± 0.0008 Å
• b: 14.1252 ± 0.0014 Å
• c: 17.45 ± 0.0018 Å
• α: 108.268 ± 0.009°
• β: 91.425 ± 0.009°
• γ: 103.228 ± 0.009°
• Cell volume: 1626.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No