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Information card for entry 4073595
Preview
| Coordinates | 4073595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H31 F6 N2 P |
|---|---|
| Calculated formula | C17 H31 F6 N2 P |
| SMILES | C1=[N+](CCCCN1C1CCCCC1)C1CCCCC1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | First Examples of Diazepanylidene Carbenes and Their Late-Transition-Metal Complexes |
| Authors of publication | Iglesias, Manuel; Beetstra, Dirk J.; Stasch, Andreas; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 19 |
| Pages of publication | 4800 |
| a | 10.8504 ± 0.0003 Å |
| b | 9.7539 ± 0.0004 Å |
| c | 18.4811 ± 0.0005 Å |
| α | 90° |
| β | 95.123 ± 0.002° |
| γ | 90° |
| Cell volume | 1948.11 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
4073595.cif |
| 178624 | 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 4/07/35. |
4073595.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073595.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073595.cif |
| 46441 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073595, 4073596, 4073597, 4073598, 4073599, 4073600, 4073601 via cif-deposit CGI script. |
4073595.cif |
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Users of the data should acknowledge the original authors of the
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