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Information card for entry 2239790
Preview
Coordinates | 2239790.cif |
---|---|
Structure factors | 2239790.hkl |
Original paper (by DOI) | HTML |
Chemical name | <i>trans</i>-Dibromidotetrakis[1-(2,6-diisopropylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]iron(II) diethyl ether disolvate |
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Formula | C68 H100 Br2 Fe N8 O2 |
Calculated formula | C68 H100 Br2 Fe N8 O2 |
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 | 11.671 ± 0.0008 Å |
b | 12.4758 ± 0.0009 Å |
c | 13.5759 ± 0.001 Å |
α | 64.464 ± 0.005° |
β | 81.515 ± 0.006° |
γ | 88.982 ± 0.006° |
Cell volume | 1761.8 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0358 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/2239790.html
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