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Information card for entry 4111294
Preview
Coordinates | 4111294.cif |
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Original paper (by DOI) | HTML |
Chemical name | Manganese(III) 5,10,15-tris(pentafluorophenyl)corrole tosyl imide |
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Formula | C44 H15 Cr F15 N5 O2 S |
Calculated formula | C44 H15 Cr F15 N5 O2 S |
SMILES | [Cr]123(n4c5ccc4C(=c4[n]1c(cc4)C(=c1n2c(cc1)=C(c1n3c5cc1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=NS(=O)(=O)c1ccc(cc1)C |
Title of publication | Mechanism of Catalytic Aziridination with Manganese Corrole: The Often Postulated High-Valent Mn(V) Imido Is Not the Group Transfer Reagent |
Authors of publication | Michael J. Zdilla; Mahdi M. Abu-Omar |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 16971 - 16979 |
a | 11.2455 ± 0.0003 Å |
b | 27.8795 ± 0.0007 Å |
c | 13.7974 ± 0.0004 Å |
α | 90° |
β | 94.1214 ± 0.0009° |
γ | 90° |
Cell volume | 4314.6 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
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 | 0.093 |
Residual factor for significantly intense reflections | 0.079 |
Weighted residual factors for significantly intense reflections | 0.189 |
Weighted residual factors for all reflections included in the refinement | 0.197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MO-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4111294.html
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Users of the data should acknowledge the original authors of the
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