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Information card for entry 4065315
Preview
Coordinates | 4065315.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1434 FeBr2(PN-iPr) at 100K |
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Formula | C11 H19 Br2 Fe N2 P |
Calculated formula | C11 H19 Br2 Fe N2 P |
SMILES | [Fe]1(Br)(Br)[P](Nc2[n]1cccc2)(C(C)C)C(C)C |
Title of publication | Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes |
Authors of publication | Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 24 |
Pages of publication | 6587 |
a | 14.637 ± 0.003 Å |
b | 8.0898 ± 0.0018 Å |
c | 14.103 ± 0.003 Å |
α | 90° |
β | 102.268 ± 0.003° |
γ | 90° |
Cell volume | 1631.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0328 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.062 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4065315.html
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