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Information card for entry 4071523
Preview
| Coordinates | 4071523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 Fe |
|---|---|
| Calculated formula | C22 H14 Fe |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)C#Cc1cc(cc(c1)C#C)C#C |
| Title of publication | Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of thein SituGenerated Associated Radical Cations |
| Authors of publication | Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lohan, Manja; Bräuer, Björn; Justaud, Frédéric; Lapinte, Claude; Lang, Heinrich |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3444 |
| a | 11.814 ± 0.009 Å |
| b | 12.369 ± 0.009 Å |
| c | 12.749 ± 0.01 Å |
| α | 71.211 ± 0.013° |
| β | 78.614 ± 0.013° |
| γ | 64.992 ± 0.012° |
| Cell volume | 1594 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178604 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15. |
4071523.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071523.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071523.cif |
| 43890 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071523 via cif-deposit CGI script. |
4071523.cif |
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Users of the data should acknowledge the original authors of the
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