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Information card for entry 4071671
Preview
| Coordinates | 4071671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Se=P(Pic)Ph2 |
|---|---|
| Chemical name | Diphenyl-(2-picolyl)phosphane selenide |
| Formula | C18 H16 N P Se |
| Calculated formula | C18 H16 N P Se |
| SMILES | c1(ccccc1)P(c1ccccc1)(Cc1ccccn1)=[Se] |
| Title of publication | Heteroaromatic Substituted Phosphoranes with Enhanced Hemilabile Character |
| Authors of publication | Kling, Christian; Ott, Holger; Schwab, Gerald; Stalke, Dietmar |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 5038 |
| a | 12.6149 ± 0.0007 Å |
| b | 7.2983 ± 0.0004 Å |
| c | 17.4007 ± 0.001 Å |
| α | 90° |
| β | 100.102 ± 0.001° |
| γ | 90° |
| Cell volume | 1577.2 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0189 |
| Residual factor for significantly intense reflections | 0.0179 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4071671.cif |
| 178605 | 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 4/07/16. |
4071671.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071671.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071671.cif |
| 43970 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071670, 4071671, 4071672 via cif-deposit CGI script. |
4071671.cif |
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