Information card for entry 7003774

Structure parameters

• Formula: C21 H26 Cl2 Mg O17
• Calculated formula: C21 H26 Cl2 Mg O17
• SMILES: [Mg]123([O]=C4c5c6OCC[O]2CC[O]3CC[O]1CCOc1cccc(Oc5ccc6)c41)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Selective colorimetric and fluorescent detection of HSO4− with sodium(i), magnesium(ii) and aluminium(iii) xanthone-crown ether complexes
• Authors of publication: Shen, Rui; Pan, Xiaobo; Wang, Huifang; Yao, Lihui; Wu, Jincai; Tang, Ning
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3574 - 3581
• a: 13.402 ± 0.003 Å
• b: 14.29 ± 0.003 Å
• c: 15.951 ± 0.003 Å
• α: 100.64 ± 0.03°
• β: 97.21 ± 0.03°
• γ: 112.76 ± 0.03°
• Cell volume: 2702.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1771
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No