Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4100986
Preview
| Coordinates | 4100986.cif |
|---|
| Formula | C32 H16 Mo2 O10 P2 |
|---|---|
| Calculated formula | C32 H16 Mo2 O10 P2 |
| SMILES | [Mo]([P]1(C(c2c(cccc2)C2=C[P]2([Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c2ccccc2)=C1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | 3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors |
| Authors of publication | Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| a | 9.2748 ± 0.0004 Å |
| b | 12.066 ± 0.0006 Å |
| c | 15.2717 ± 0.0006 Å |
| α | 90.529 ± 0.002° |
| β | 98.06 ± 0.001° |
| γ | 104.808 ± 0.002° |
| Cell volume | 1634.16 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277856 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4100986.cif |
| 277855 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4100986.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100986.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4100986.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4100986.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100986.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4100986.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4100986.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.