Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072480
Preview
| Coordinates | 4072480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H44 Al Cl4 Mo N O2 P2 |
|---|---|
| Calculated formula | C24 H44 Al Cl4 Mo N O2 P2 |
| SMILES | [Mo]1234(=PN(C(C)C)C(C)C)([P](CC)(CC)CC)(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[Al](Cl)(Cl)(Cl)[Cl-] |
| Title of publication | Reactivity of Terminal, Electrophilic Phosphinidene Complexes of Molybdenum and Tungsten. Nucleophilic Addition at Phosphorus and P−P Bond Forming Reactions with Phosphines and Diphosphines |
| Authors of publication | Sterenberg, Brian T.; Senturk, Ozan Sanli; Udachin, Konstantin A.; Carty, Arthur J. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 4 |
| Pages of publication | 925 |
| a | 10.1662 ± 0.0005 Å |
| b | 15.3421 ± 0.0007 Å |
| c | 21.4861 ± 0.001 Å |
| α | 90° |
| β | 94.79 ± 0.001° |
| γ | 90° |
| Cell volume | 3339.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178613 (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 4/07/24. |
4072480.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072480.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072480.cif |
| 45843 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072480, 4072481, 4072482, 4072483, 4072484, 4072485, 4072486, 4072487 via cif-deposit CGI script. |
4072480.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.