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Information card for entry 7015030
Preview
Coordinates | 7015030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H26 F6 Mn N4 O6 S2 |
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Calculated formula | C21 H26 F6 Mn N4 O6 S2 |
SMILES | [Mn]123([n]4ccc(cc4C[N]41CCC[N]2(Cc1[n]3ccc(c1)C)CC4)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
Title of publication | Nucleophilic reactivity of a series of peroxomanganese(iii) complexes supported by tetradentate aminopyridyl ligands. |
Authors of publication | Geiger, Robert A.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 8 |
Pages of publication | 1707 - 1715 |
a | 16.801 ± 0.007 Å |
b | 8.582 ± 0.004 Å |
c | 19.054 ± 0.008 Å |
α | 90° |
β | 99.02 ± 0.007° |
γ | 90° |
Cell volume | 2713 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.05 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.1146 |
Weighted residual factors for all reflections included in the refinement | 0.1175 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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