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Information card for entry 4072177
Preview
| Coordinates | 4072177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H44 F12 Fe2 O2 P2 |
|---|---|
| Calculated formula | C56 H44 F12 Fe2 O2 P2 |
| Title of publication | Diferrocenylbispyrylium Salts and Electron-Rich Diferrocenylbispyran from Oxidative Coupling of Ferrocenylpyran. Induced Electron Transfer C−C Bond Making/Breaking Involving a Metallocenyl Radical Intermediate |
| Authors of publication | Ba, Fatou; Cabon, Nolwenn; Robin-Le Guen, Françoise; Le Poul, Pascal; Le Poul, Nicolas; Le Mest, Yves; Golhen, Stéphane; Caro, Bertrand |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6396 |
| a | 13.2117 ± 0.0009 Å |
| b | 14.6163 ± 0.0012 Å |
| c | 15.5367 ± 0.0014 Å |
| α | 92.319 ± 0.004° |
| β | 109.009 ± 0.004° |
| γ | 89.863 ± 0.003° |
| Cell volume | 2834.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1671 |
| Residual factor for significantly intense reflections | 0.0824 |
| Weighted residual factors for significantly intense reflections | 0.2198 |
| Weighted residual factors for all reflections included in the refinement | 0.2631 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072177.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072177.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072177.cif |
| 44274 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072177, 4072178 via cif-deposit CGI script. |
4072177.cif |
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Users of the data should acknowledge the original authors of the
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