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Information card for entry 4074330
Preview
| Coordinates | 4074330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H75 N3 P2 Sn |
|---|---|
| Calculated formula | C47 H75 N3 P2 Sn |
| SMILES | [Sn]1(P2C(=PC(=C2C(C)(C)C)C(C)(C)C)C(C)(C)C)[N](=C(N1c1c(cccc1C(C)C)C(C)C)N1[C@@H](CCC[C@@H]1C)C)c1c(cccc1C(C)C)C(C)C |
| 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 | 19.036 ± 0.004 Å |
| b | 14.1 ± 0.003 Å |
| c | 19.674 ± 0.004 Å |
| α | 90° |
| β | 117.6 ± 0.03° |
| γ | 90° |
| Cell volume | 4680 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0712 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
4074330.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074330.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. |
4074330.cif |
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Users of the data should acknowledge the original authors of the
structural data.