Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4341289
Preview
| Coordinates | 4341289.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H39 Mn Mo2 O5 P2 |
|---|---|
| Calculated formula | C33 H39 Mn Mo2 O5 P2 |
| SMILES | [Mo]12345([P](C6CCCCC6)(C6CCCCC6)[Mo]6789(P1[Mn]1%10%11%12(C#[O])(C#[O])[c]%13([cH]%12[cH]%11[cH]%10[cH]1%13)C)(C#[O])(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]61)(C#[O])[cH]1[cH]2[cH]5[cH]4[cH]31 |
| Title of publication | Mild P-P Bond Cleavage in the Methyldiphosphenyl Complex [Mo2Cp2(μ-PCy2)(μ-κ(2):κ(2)-P2Me)(CO)2] To Give Novel Phosphide-Bridged Trinuclear Derivatives. |
| Authors of publication | Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Lozano, Raquel; Ramos, Alberto; Ruiz, Miguel A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 20 |
| Pages of publication | 11261 - 11273 |
| a | 10.9898 ± 0.0003 Å |
| b | 15.1118 ± 0.0004 Å |
| c | 19.6212 ± 0.0009 Å |
| α | 90° |
| β | 100.84 ± 0.004° |
| γ | 90° |
| Cell volume | 3200.5 ± 0.2 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179515 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12. |
4341289.cif |
| 126926 | 2014-11-12 | cif/ Updating files of 4341286, 4341287, 4341288, 4341289 Original log message: Adding full bibliography for 4341286--4341289.cif. |
4341289.cif |
| 125293 | 2014-10-12 | cif/ Adding structures of 4341286, 4341287, 4341288, 4341289 via cif-deposit CGI script. |
4341289.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.