Information card for entry 7208754

Structure parameters

• Formula: C12 H32 Mg2 O28 S4
• Calculated formula: C12 H32 Mg2 O28 S4
• SMILES: c1c2c3cc4c1S(=O)(=O)O[Mg]1(OS(=O)(c5cc6c(cc5[OH]1)[OH][Mg](OS2(=O)=O)([OH]3)([OH2])(OS6(=O)=O)[OH2])=O)([OH]4)([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value
• Authors of publication: Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6675
• a: 13.257 ± 0.003 Å
• b: 18.326 ± 0.004 Å
• c: 7.1499 ± 0.0014 Å
• α: 90°
• β: 115.93 ± 0.03°
• γ: 90°
• Cell volume: 1562.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No