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Information card for entry 7020686
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Coordinates | 7020686.cif |
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Original paper (by DOI) | HTML |
Common name | 1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane |
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Chemical name | 1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane |
Formula | C12 H24 O4 Se2 |
Calculated formula | C12 H24 O4 Se2 |
SMILES | C1COCCOCC[Se]CCOCCOCC[Se]1 |
Title of publication | s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions. |
Authors of publication | Farina, Paolo; Levason, William; Reid, Gillian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 1 |
Pages of publication | 89 - 99 |
a | 6.933 ± 0.004 Å |
b | 13.419 ± 0.007 Å |
c | 8.573 ± 0.004 Å |
α | 90° |
β | 102.489 ± 0.007° |
γ | 90° |
Cell volume | 778.7 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0838 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.055 |
Weighted residual factors for all reflections included in the refinement | 0.0594 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.652 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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