Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071721
Preview
| Coordinates | 4071721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H16 N2 O2 Si W |
|---|---|
| Calculated formula | C11 H16 N2 O2 Si W |
| SMILES | [W]1234(N=NC[Si](C)(C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O] |
| Title of publication | Kinetic and Thermodynamic Studies of the Reactivity of (Trimethylsilyl)diazomethane with HMo(CO)3(C5R5) (R = H, Me). Estimation of the Mo−N2CH2SiMe3Bond Strength and Experimental Determination of the Enthalpy of Formation of (Trimethylsilyl)diazomethane |
| Authors of publication | Fortman, George C.; Isrow, Derek; McDonough, James E.; Schleyer, Paul von Ragué; Schaefer, Henry F.; Scott, Brian; Kubas, Gregory J.; Kégl, Tamás; Ungváry, Ferenc; Hoff, Carl D. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 4873 |
| a | 6.3928 ± 0.0007 Å |
| b | 10.6551 ± 0.0012 Å |
| c | 10.8766 ± 0.0012 Å |
| α | 100.632 ± 0.002° |
| β | 96.245 ± 0.002° |
| γ | 93.51 ± 0.002° |
| Cell volume | 721.32 ± 0.14 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (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 4/07/17. |
4071721.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071721.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071721.cif |
| 43997 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071721 via cif-deposit CGI script. |
4071721.cif |
All data in the COD 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.