Information card for entry 7003772

Structure parameters

• Formula: C21 H28 Al0.5 Cl1.5 O16
• Calculated formula: C21 H28 Al0.5 Cl1.5 O16
• 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: 12.1838 ± 0.0011 Å
• b: 28.772 ± 0.003 Å
• c: 14.5984 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5117.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.2716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No