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Information card for entry 4072368
Preview
| Coordinates | 4072368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H17 B Fe |
|---|---|
| Calculated formula | C22 H17 B Fe |
| SMILES | [Fe]12345678([c]9(B%10c%11c(cccc%11)c%11c%10cccc%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | 9-Ferrocenyl-9-borafluoreneî—¸A Redox-Switchable Main Group Lewis Acid |
| Authors of publication | Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 23 |
| Pages of publication | 6215 |
| a | 28.7036 ± 0.0016 Å |
| b | 11.0886 ± 0.0005 Å |
| c | 23.9109 ± 0.0015 Å |
| α | 90° |
| β | 120.345 ± 0.003° |
| γ | 90° |
| Cell volume | 6567.8 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0562 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178612 (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 4/07/23. |
4072368.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4072368.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072368.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072368.cif |
| 44379 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072368, 4072369, 4072370, 4072371, 4072372, 4072373 via cif-deposit CGI script. |
4072368.cif |
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Users of the data should acknowledge the original authors of the
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