Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4324687
Preview
| Coordinates | 4324687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H55 Mo2 O2 P3 Sn |
|---|---|
| Calculated formula | C49 H55 Mo2 O2 P3 Sn |
| SMILES | [Mo]123456([P](C7CCCCC7)(C7CCCCC7)[Mo]789%10%11(P1[P]28[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]71)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]31.c1ccccc1C |
| Title of publication | Mild P4 Activation To Give an Anionic Diphosphorus Complex with a Dual Binding Ability at a Single P Site |
| Authors of publication | M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Alberto Ramos; Miguel A. Ruiz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 2064 - 2066 |
| a | 9.8193 ± 0.0003 Å |
| b | 22.1561 ± 0.0006 Å |
| c | 20.7519 ± 0.0006 Å |
| α | 90° |
| β | 98.049 ± 0.002° |
| γ | 90° |
| Cell volume | 4470.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179349 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46. |
4324687.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324687.cif |
| 42916 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4324687 via cif-deposit CGI script. |
4324687.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.