Information card for entry 7028170

Structure parameters

• Formula: C26 H62 Mg O10 S2
• Calculated formula: C26 H62 Mg O10 S2
• SMILES: [Mg](OC(=S)OC(C)C)(OC(=S)OC(C)C)([OH]C(C)C)([OH]C(C)C)([OH]C(C)C)[OH]C(C)C.C(C)(O)C.C(C)(C)O
• Title of publication: Carbonyl sulfide insertion into Group 2 metal‒isopropoxide bonds; synthesis and crystal structures of [Mg(OCSOPri)2(PriOH)4]· 2PriOH and [{Sr(OCSOPri)2(PriOH)2}n]
• Authors of publication: Bezougli, Izoldi K.; Bashall, Alan; McPartlin, Mary; Mingos, D. Michael P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 16
• Pages of publication: 2665
• a: 11.332 ± 0.002 Å
• b: 14.535 ± 0.002 Å
• c: 11.538 ± 0.002 Å
• α: 90°
• β: 93.8 ± 0.009°
• γ: 90°
• Cell volume: 1896.3 ± 0.5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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 all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections: 0.1836
• Weighted residual factors for significantly intense reflections: 0.1538
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No