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Information card for entry 2239788
Preview
Coordinates | 2239788.cif |
---|---|
Structure factors | 2239788.hkl |
Original paper (by DOI) | HTML |
Chemical name | <i>trans</i>-Dichloridotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) |
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Formula | C60 H80 Cl2 Fe N8 |
Calculated formula | C60 H80 Cl2 Fe N8 |
Title of publication | Crystal structures of <i>trans</i>-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II), <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) and <i>trans</i>-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) diethyl ether disolvate |
Authors of publication | Mafua, Roger; Jenny, Titus; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 8 |
Pages of publication | 72 - 76 |
a | 8.877 ± 0.002 Å |
b | 12.628 ± 0.003 Å |
c | 13.81 ± 0.004 Å |
α | 74.68 ± 0.02° |
β | 74.48 ± 0.02° |
γ | 83.105 ± 0.018° |
Cell volume | 1436.6 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0977 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0693 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.795 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2239788.html
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Users of the data should acknowledge the original authors of the
structural data.