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Information card for entry 7011143
Preview
| Coordinates | 7011143.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Mo(CO)4{Si(NCH2tBu)2C6H4}2] |
|---|---|
| Formula | C36 H52 Mo N4 O4 Si2 |
| Calculated formula | C36 H52 Mo N4 O4 Si2 |
| SMILES | C([Mo](C#[O])(=[Si]1N(c2c(cccc2)N1CC(C)(C)C)CC(C)(C)C)(C#[O])(C#[O])=[Si]1N(c2c(cccc2)N1CC(C)(C)C)CC(C)(C)C)#[O] |
| Title of publication | [1 + 4]-Cycloadditions of silylenes to 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene |
| Authors of publication | Scott B. Clendenning; Barbara Gehrhus; Peter B. Hitchcock; Daniel F. Moser; John F. Nixon; Robert West |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 4 |
| Pages of publication | 484 - 490 |
| a | 10.1949 ± 0.0003 Å |
| b | 7.0615 ± 0.0001 Å |
| c | 26.7601 ± 0.0009 Å |
| α | 90° |
| β | 90.555 ± 0.001° |
| γ | 90° |
| Cell volume | 1926.4 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0347 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011143.cif |
| 179815 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/11. |
7011143.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011143.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011143.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011143.cif |
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