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Information card for entry 7017095
Preview
Coordinates | 7017095.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Cu H10 O9 S |
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Calculated formula | Cu H10 O9 S |
SMILES | [Cu]([OH2])([OH2])([OH2])([OH2])OS(=O)(=O)O[Cu]([OH2])([OH2])([OH2])([OH2])OS(=O)(=O)[O-].O.O |
Title of publication | A Sandmeyer type reaction for bromination of 2-mercapto-1-methyl-imidazoline (N(2)C(4)H(6)S) into 2-bromo-1-methyl-imidazole (N(2)C(4)H(5)Br) in presence of copper(i) bromide. |
Authors of publication | Lobana, Tarlok S.; Sultana, Razia; Butcher, Ray J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 43 |
Pages of publication | 11382 - 11384 |
a | 5.9616 ± 0.0006 Å |
b | 6.098 ± 0.003 Å |
c | 10.6776 ± 0.0019 Å |
α | 77.27 ± 0.03° |
β | 82.344 ± 0.011° |
γ | 72.52 ± 0.02° |
Cell volume | 360.2 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0582 |
Weighted residual factors for all reflections included in the refinement | 0.0591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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