Information card for entry 2210151

Structure parameters

• Chemical name: Bromo(dithiobenzoato-κ^2^S,S')tris(tetrahydrofuran-κO)magnesium(II)
• Formula: C19 H29 Br Mg O3 S2
• Calculated formula: C19 H29 Br Mg O3 S2
• SMILES: C1(=[S][Mg](Br)([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[S]1)c1ccccc1
• Title of publication: Bromo(dithiobenzoato-κ^2^<i>S</i>,<i>S</i>')tris(tetrahydrofuran-κ<i>O</i>)magnesium(II): a redetermination
• Authors of publication: Grubba, Rafal; Wojnowski, Wieslaw; Baranowska, Katarzyna; Pikies, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2082 - m2083
• a: 11.901 ± 0.004 Å
• b: 14.72 ± 0.003 Å
• c: 13.0391 ± 0.0017 Å
• α: 90°
• β: 105.154 ± 0.018°
• γ: 90°
• Cell volume: 2204.8 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes