Information card for entry 2210150

Structure parameters

• Chemical name: Bis(dithiobenzoato-κ^2^S,S')bis(tetrahydrofuran-κO)magnesium(II)
• Formula: C22 H26 Mg O2 S4
• Calculated formula: C22 H26 Mg O2 S4
• SMILES: C1(=[S][Mg]2(S1)([S]=C(c1ccccc1)S2)([O]1CCCC1)[O]1CCCC1)c1ccccc1
• Title of publication: Bis(dithiobenzoato-κ^2^<i>S</i>,<i>S</i>')bis(tetrahydrofuran-κ<i>O</i>)magnesium(II)
• Authors of publication: Grubba, Rafal; Wojnowski, Wieslaw; Baranowska, Katarzyna; Baum, Elke; Pikies, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2080 - m2081
• a: 8.3846 ± 0.0009 Å
• b: 14.3899 ± 0.0009 Å
• c: 20.0275 ± 0.0015 Å
• α: 90°
• β: 90.287 ± 0.011°
• γ: 90°
• Cell volume: 2416.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes