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Information card for entry 4072325
Preview
| Coordinates | 4072325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H34 Fe N4 |
|---|---|
| Calculated formula | C31 H34 Fe N4 |
| SMILES | [Fe]123456789[c]%10(CC%11C(C(CC(=C%11C[c]%115[cH]6[cH]7[cH]8[cH]9%11)C)(C#N)C#N)(C#N)C#N)[c]1([cH]2[c]3([cH]4%10)C(C)(C)C)C(C)(C)C |
| Title of publication | Preparation of [4]- and [5]Ferrocenophanes by Ruthenium-Catalyzed Ring-Closing Ene−Yne Metathesis |
| Authors of publication | Ogasawara, Masamichi; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6565 |
| a | 9.0356 ± 0.0003 Å |
| b | 27.0393 ± 0.0008 Å |
| c | 11.4976 ± 0.0003 Å |
| α | 90° |
| β | 97.113 ± 0.001° |
| γ | 90° |
| Cell volume | 2787.43 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1012 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1481 |
| Weighted residual factors for all reflections included in the refinement | 0.1622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71075 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. |
4072325.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072325.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072325.cif |
| 44351 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072324, 4072325 via cif-deposit CGI script. |
4072325.cif |
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Users of the data should acknowledge the original authors of the
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