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Information card for entry 4072393
Preview
| Coordinates | 4072393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H51 Mo N3 |
|---|---|
| Calculated formula | C49 H51 Mo N3 |
| SMILES | [Mo]1234(=CC(C)(C)C)(=Nc5c(C(C)C)cccc5C(C)C)(n5c(c6ccccc6)ccc5c5ccccc5)[N]5[C]4(=[CH]3[CH]2=[C]15c1ccccc1)c1ccccc1 |
| Title of publication | Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes |
| Authors of publication | Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6570 |
| a | 10.4441 ± 0.0007 Å |
| b | 21.2061 ± 0.0014 Å |
| c | 18.0345 ± 0.0012 Å |
| α | 90° |
| β | 101.269 ± 0.001° |
| γ | 90° |
| Cell volume | 3917.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
4072393.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072393.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072393.cif |
| 44399 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072393 via cif-deposit CGI script. |
4072393.cif |
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Users of the data should acknowledge the original authors of the
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