Information card for entry 7225896

Structure parameters

• Formula: C16 H20 Cl6 Mg O12
• Calculated formula: C16 H20 Cl6 Mg O12
• SMILES: [Mg](OC(=O)COc1c(cc(cc1Cl)Cl)Cl)(OC(=O)COc1c(cc(cc1Cl)Cl)Cl)([OH2])([OH2])([OH2])[OH2].O.O
• 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: 6.8882 ± 0.0014 Å
• b: 8.7091 ± 0.0018 Å
• c: 44.043 ± 0.009 Å
• α: 90°
• β: 94.482 ± 0.005°
• γ: 90°
• Cell volume: 2634.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No