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Information card for entry 7054049
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Coordinates | 7054049.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Fe12i(C8)(dmap)2] |
---|---|
Formula | C49 H74 Fe N6 O9 |
Calculated formula | C49 H74 Fe N6 O9 |
Title of publication | Amphiphilic iron(ii) complexes with short alkyl chains ‒ crystal packing and spin transition properties |
Authors of publication | Schlamp, Stephan; Dankhoff, Katja; Weber, Birgit |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 5 |
Pages of publication | 1965 |
a | 12.0361 ± 0.0008 Å |
b | 13.4241 ± 0.001 Å |
c | 17.3275 ± 0.0013 Å |
α | 103.289 ± 0.006° |
β | 101.608 ± 0.006° |
γ | 99.935 ± 0.006° |
Cell volume | 2597.7 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1055 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.1596 |
Weighted residual factors for all reflections included in the refinement | 0.1737 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7054049.html
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Users of the data should acknowledge the original authors of the
structural data.