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Information card for entry 1545734
Preview
Coordinates | 1545734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H44 Fe N O2 P |
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Calculated formula | C36 H44 Fe N O2 P |
SMILES | [Fe]1234(N=C=O)([O]=P(c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]1([cH]2[c]3([cH]45)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 | 10.7445 ± 0.0008 Å |
b | 11.3344 ± 0.0008 Å |
c | 15.2795 ± 0.0009 Å |
α | 109.628 ± 0.006° |
β | 90.508 ± 0.006° |
γ | 109.886 ± 0.007° |
Cell volume | 1632.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.1013 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1545734.html
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