Information card for entry 7225899

Structure parameters

• Formula: C16 H20 Cl4 Mg O11
• Calculated formula: C16 H20 Cl4 Mg O11
• SMILES: Clc1c(OCC(=O)O[Mg]([OH2])([OH2])([OH2])([OH2])[OH2])cccc1Cl.Clc1c(OCC(=O)[O-])cccc1Cl
• Title of publication: Eco-friendly Microwave Synthesis of Mg(II) Phenoxy Carboxylic Acid Coordination Compounds with Specific Motifs Driven by Multiple Hydrogen Bonding
• Authors of publication: Xu, Xiuling; Hu, Fan; Yan, Sai sai; Lin, Jian guang; Li, Qing; Shuai, Qi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.379 ± 0.005 Å
• b: 7.494 ± 0.005 Å
• c: 20.56 ± 0.01 Å
• α: 92.8 ± 0.1°
• β: 92.5 ± 0.1°
• γ: 90.94 ± 0.01°
• Cell volume: 1134.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No