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Information card for entry 4078773
Preview
| Coordinates | 4078773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C52 H18 F25 Mo N O2 |
|---|---|
| Calculated formula | C52 H18 F25 Mo N O2 |
| SMILES | [Mo](=CC(C)(C)c1ccccc1)(=Nc1c(F)c(F)c(F)c(F)c1F)(Oc1c(c2c(F)c(F)c(F)c(F)c2F)cccc1c1c(F)c(F)c(F)c(F)c1F)Oc1c(c2c(F)c(F)c(F)c(F)c2F)cccc1c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Pentafluorophenylimido Alkylidene Complexes of Molybdenum and Tungsten |
| Authors of publication | Yuan, Jian; Schrock, Richard R.; Müller, Peter; Axtell, Jonathan C.; Dobereiner, Graham E. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 13 |
| Pages of publication | 4650 |
| a | 22.0127 ± 0.0011 Å |
| b | 15.2586 ± 0.0008 Å |
| c | 13.9366 ± 0.0007 Å |
| α | 90° |
| β | 92.85 ± 0.001° |
| γ | 90° |
| Cell volume | 4675.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0297 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4078773.cif |
| 178676 | 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 4/07/87. |
4078773.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078773.cif |
| 66392 | 2012-09-09 | cif/ Adding structures of 4078771, 4078772, 4078773 via cif-deposit CGI script. |
4078773.cif |
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