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Information card for entry 1545730
Preview
Coordinates | 1545730.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H58 Fe2 N2 O2 |
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Calculated formula | C36 H58 Fe2 N2 O2 |
SMILES | [Fe]12345([N]([Fe]6789([N]1=C=O)[c]1([c]6([cH]7[c]8([cH]91)C(C)(C)C)C(C)(C)C)C(C)(C)C)=C=O)[c]1([c]2([cH]3[c]4([cH]51)C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Reactivity studies on [Cp′Fe(μ-I)]2: nitrido-, sulfido- and diselenide iron complexes derived from pseudohalide activation |
Authors of publication | Reiners, Matthias; Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; White, Peter S.; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Maron, Laurent; Walter, Marc D. |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 10.3424 ± 0.0004 Å |
b | 9.2633 ± 0.0002 Å |
c | 18.3885 ± 0.0006 Å |
α | 90° |
β | 91.346 ± 0.002° |
γ | 90° |
Cell volume | 1761.22 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0302 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0692 |
Weighted residual factors for all reflections included in the refinement | 0.0702 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1545730.html
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Users of the data should acknowledge the original authors of the
structural data.