Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072180
Preview
| Coordinates | 4072180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H56 F12 Mo N2 O3 |
|---|---|
| Calculated formula | C37 H56 F12 Mo N2 O3 |
| SMILES | [Mo](=Nc1c(cc(cc1C(C)C)C(C)C)C)([N]12CCC(CC1)CC2)(OC(C)(C(F)(F)F)C(F)(F)F)(OC(C)(C(F)(F)F)C(F)(F)F)=CC(C)(C)C.O1CCCC1 |
| Title of publication | Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes |
| Authors of publication | Lokare, Kapil S.; Staples, Richard J.; Odom, Aaron L. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 5130 |
| a | 10.55 ± 0.003 Å |
| b | 13.514 ± 0.003 Å |
| c | 15.842 ± 0.004 Å |
| α | 102.763 ± 0.005° |
| β | 90.02 ± 0.005° |
| γ | 107.753 ± 0.005° |
| Cell volume | 2092.4 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1121 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072180.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072180.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072180.cif |
| 44275 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072179, 4072180, 4072181, 4072182 via cif-deposit CGI script. |
4072180.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.