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Information card for entry 4312601
Preview
Coordinates | 4312601.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 Cl2 Mn N4 O8 |
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Calculated formula | C18 H20 Cl2 Mn N4 O8 |
SMILES | [Mn]123(OCl(=O)(=O)=O)(OCl(=O)(=O)=O)[N]([C@@H]4[C@@H]([N]1=Cc1[n]3cccc1)CCCC4)=Cc1[n]2cccc1 |
Title of publication | Catalytic Asymmetric Sulfoxidation by Chiral Manganese Complexes: Acetylacetonate Anions as Chirality Switches |
Authors of publication | Sébastien Schoumacker; Olivier Hamelin; Jacques Pécaut; Marc Fontecave |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 8110 - 8116 |
a | 9.055 ± 0.0006 Å |
b | 19.829 ± 0.0014 Å |
c | 12.2059 ± 0.0008 Å |
α | 90° |
β | 92.945 ± 0.001° |
γ | 90° |
Cell volume | 2188.7 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0619 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0678 |
Weighted residual factors for all reflections included in the refinement | 0.0753 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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