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Information card for entry 7049513
Preview
Coordinates | 7049513.cif |
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Original paper (by DOI) | HTML |
Formula | C17.5 H19.5 F3 Mn0.5 N3.5 O4 S |
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Calculated formula | C17.5 H19.5 F3 Mn0.5 N3.5 O4 S |
Title of publication | Mn<sup>IV</sup>-Oxo complex of a bis(benzimidazolyl)-containing N5 ligand reveals different reactivity trends for Mn<sup>IV</sup>-oxo than Fe<sup>IV</sup>-oxo species. |
Authors of publication | Denler, Melissa C.; Massie, Allyssa A.; Singh, Reena; Stewart-Jones, Eleanor; Sinha, Arup; Day, Victor W.; Nordlander, Ebbe; Jackson, Timothy A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 15 |
Pages of publication | 5007 - 5021 |
a | 19.166 ± 0.002 Å |
b | 19.2 ± 0.002 Å |
c | 11.2881 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4153.9 ± 0.8 Å3 |
Cell temperature | 228 ± 2 K |
Ambient diffraction temperature | 228 ± 2 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0705 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.1237 |
Weighted residual factors for all reflections included in the refinement | 0.1445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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