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Information card for entry 7028170
Preview
Coordinates | 7028170.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H62 Mg O10 S2 |
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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 Å3 |
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 |
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