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Information card for entry 4105185
Preview
| Coordinates | 4105185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | (Ar[tBu]N)3Mo(N=c(NMe2)(SPh)) |
|---|---|
| Formula | C45 H65 Mo N5 S |
| Calculated formula | C45 H65 Mo N5 S |
| SMILES | [Mo](N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)N=C(Sc1ccccc1)N(C)C |
| Title of publication | Coordination-Mode Control of Bound Nitrile Radical Complex Reactivity: Intercepting End-on Nitrile-Mo(III) Radicals at Low Temperature |
| Authors of publication | Meaghan E. Germain; Manuel Temprado; Annie Castonguay; Olga P. Kryatova; Elena V. Rybak-Akimova; John J. Curley; Arjun Mendiratta; Yi-Chou Tsai; Christopher C. Cummins; Rajeev Prabhakar; James E. McDonough; Carl D. Hoff |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 15412 - 15423 |
| a | 13.8313 ± 0.0007 Å |
| b | 14.4109 ± 0.0007 Å |
| c | 22.1159 ± 0.001 Å |
| α | 90° |
| β | 91.609 ± 0.001° |
| γ | 90° |
| Cell volume | 4406.4 ± 0.4 Å3 |
| Cell temperature | 80 ± 2 K |
| Ambient diffraction temperature | 80 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0448 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
4105185.cif |
| 178797 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/51. |
4105185.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105185.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105185.cif |
| 30379 | 2011-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4105185 via cif-deposit CGI script. |
4105185.cif |
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