Information card for entry 7028171

Structure parameters

• Formula: C14 H30 O6 S2 Sr
• Calculated formula: C14 H30 O6 S2 Sr
• SMILES: [Sr+2].C(=O)(OC(C)C)[S-].C(C)(C)O.C(=O)(OC(C)C)[S-].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: 17.283 ± 0.003 Å
• b: 15.544 ± 0.005 Å
• c: 15.769 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4236 ± 2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.0735
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No