Information card for entry 7033045

Structure parameters

• Formula: C22 H26 Cl4 Mg O8
• Calculated formula: C22 H26 Cl4 Mg O8.004
• Title of publication: A real-time fluorescent sensor specific to Mg(2+): crystallographic evidence, DFT calculation and its use for quantitative determination of magnesium in drinking water.
• Authors of publication: Men, Guangwen; Chen, Chunrong; Zhang, Shitong; Liang, Chunshuang; Wang, Ying; Deng, Mengyu; Shang, Hongxing; Yang, Bing; Jiang, Shimei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 2755 - 2762
• a: 10.4767 ± 0.0014 Å
• b: 11.6728 ± 0.0016 Å
• c: 12.9373 ± 0.0018 Å
• α: 91.5 ± 0.004°
• β: 106.143 ± 0.003°
• γ: 115.291 ± 0.003°
• Cell volume: 1354.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No