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Information card for entry 4071150
Preview
| Coordinates | 4071150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 O7 P W |
|---|---|
| Calculated formula | C24 H25 O7 P W |
| SMILES | C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P@]12[C@H]([C@@]3([C@]([C@H](C)O1)([C@](C(=C3C)C)(C)O2)C)C)c1ccccc1.C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P@@]12[C@@H]([C@]3([C@@]([C@@H](C)O1)([C@@](C(=C3C)C)(C)O2)C)C)c1ccccc1 |
| Title of publication | Synthesis of Novel O,P,C-Cage Complexes via Thermal C−O Ring Opening of an Oxaphosphirane W(CO)5Complex |
| Authors of publication | Bode, Maren; Schnakenburg, Gregor; Jones, Peter G.; Streubel, Rainer |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 11 |
| Pages of publication | 2664 |
| a | 10.4536 ± 0.0002 Å |
| b | 15.8144 ± 0.0004 Å |
| c | 14.87 ± 0.0004 Å |
| α | 90° |
| β | 99.6078 ± 0.0015° |
| γ | 90° |
| Cell volume | 2423.79 ± 0.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0337 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0419 |
| Weighted residual factors for all reflections included in the refinement | 0.0438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178600 (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 4/07/11. |
4071150.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071150.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071150.cif |
| 43067 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071150 via cif-deposit CGI script. |
4071150.cif |
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Users of the data should acknowledge the original authors of the
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