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Information card for entry 7117711
Preview
Coordinates | 7117711.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H47 Fe N2 |
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Calculated formula | C58 H47 Fe N2 |
SMILES | [Fe]12345[CH]6c7c(cccc7)C(c7ccccc7[CH]1=6)[N]5=C(CN4C1c4c(cccc4)[CH]2=[CH]3c2ccccc12)C(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C |
Title of publication | Low-valent iron: an Fe(I) ate compound as a building block for a linear trinuclear Fe cluster |
Authors of publication | C. Lichtenberg; L. Viciu; M. Vogt; R. E. Rodriguez-Lugo; M. Adelhardt; J. Sutter; M. M. Khusniyarov; K. Meyer; B. de Bruin; E. Billd; H. Grutzmacher |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 13890 |
a | 10.1232 ± 0.0003 Å |
b | 14.1732 ± 0.0005 Å |
c | 15.1866 ± 0.0005 Å |
α | 103.795 ± 0.003° |
β | 93.762 ± 0.003° |
γ | 92.887 ± 0.003° |
Cell volume | 2106.63 ± 0.12 Å3 |
Cell temperature | 104.99 ± 0.1 K |
Ambient diffraction temperature | 104.99 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0595 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Weighted residual factors for all reflections included in the refinement | 0.1186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/7117711.html
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