Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233045
Preview
| Coordinates | 2233045.cif |
|---|---|
| Structure factors | 2233045.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ~2~-η^2^:η^2^-2,4,6-trimethylbenzonitrile)bis[(<i>N</i>-isopropyl- 3,5-dimethylanilido)molybdenum(III)](<i>Mo</i>—<i>Mo</i>) |
|---|---|
| Formula | C64 H86 Mo2 N6 |
| Calculated formula | C64 H86 Mo2 N6 |
| Title of publication | Bis(μ~2~-η^2^:η^2^-2,4,6-trimethylbenzonitrile)bis[(<i>N</i>-isopropyl-3,5-dimethylanilido)molybdenum(III)](<i>Mo</i>—<i>Mo</i>) |
| Authors of publication | Moroz, Yurii S.; Cozzolino, Anthony F.; Rybak-Akimova, Elena V.; Cummins, Christopher C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1643 - m1644 |
| a | 13.262 ± 0.002 Å |
| b | 17.09 ± 0.003 Å |
| c | 13.306 ± 0.002 Å |
| α | 90° |
| β | 109.387 ± 0.002° |
| γ | 90° |
| Cell volume | 2844.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1333 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1418 |
| Weighted residual factors for all reflections included in the refinement | 0.1722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/30. |
2233045.cif 2233045.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233045.cif 2233045.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233045.cif 2233045.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233045.cif 2233045.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233045.cif 2233045.hkl |
| 31940 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233045 via cif-deposit CGI script. |
2233045.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.