Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 4100014
Preview
| Coordinates | 4100014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H37 Mo P2 Si |
|---|---|
| Calculated formula | C22 H37 Mo P2 Si |
| Title of publication | Silylene Hydride Complexes of Molybdenum with Silicon−Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2) |
| Authors of publication | Mork, Benjamin V.; Tilley, T. Don; Schultz, Arthur J.; Cowan, John A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Journal issue | 33 |
| Pages of publication | 10428 - 10440 |
| a | 14.1108 ± 0.0002 Å |
| b | 12.2418 ± 0.0003 Å |
| c | 14.0009 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2418.54 ± 0.07 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for all reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Goodness-of-fit parameter for all reflections | 0.911 |
| Goodness-of-fit parameter for significantly intense reflections | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Please log in to view the version history.
All data in the TESTCOD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.