Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4074331
Preview
| Coordinates | 4074331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H45 P3 Sn |
|---|---|
| Calculated formula | C34 H45 P3 Sn |
| SMILES | [Sn]([C@]1(P([C@]2(P3P1[C@@]23C(C)(C)C)C(C)(C)C)C)C(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.[Sn]([C@@]1(P([C@@]2(P3P1[C@]23C(C)(C)C)C(C)(C)C)C)C(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds |
| Authors of publication | Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 20 |
| Pages of publication | 4799 |
| a | 8.414 ± 0.0017 Å |
| b | 11.287 ± 0.002 Å |
| c | 17.484 ± 0.004 Å |
| α | 104.26 ± 0.03° |
| β | 90.6 ± 0.03° |
| γ | 93.64 ± 0.03° |
| Cell volume | 1605.4 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0256 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178632 (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 4/07/43. |
4074331.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074331.cif |
| 48319 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074326, 4074327, 4074328, 4074329, 4074330, 4074331, 4074332, 4074333, 4074334, 4074335 via cif-deposit CGI script. |
4074331.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.