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Information card for entry 7029108
Preview
Coordinates | 7029108.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-methyl-1,3-dihydro-2-benzoselenophenium tetrachloroaluminate |
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Formula | C9 H11 Al Cl4 Se |
Calculated formula | C9 H11 Al Cl4 Se |
SMILES | [Al](Cl)(Cl)(Cl)[Cl-].[Se+]1(Cc2ccccc2C1)C |
Title of publication | Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties. |
Authors of publication | George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 9 |
Pages of publication | 3637 - 3648 |
a | 7.4218 ± 0.0019 Å |
b | 14.027 ± 0.003 Å |
c | 13.481 ± 0.003 Å |
α | 90° |
β | 94.415 ± 0.006° |
γ | 90° |
Cell volume | 1399.3 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0786 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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