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Information card for entry 7015004
Preview
| Coordinates | 7015004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H21 Cr O6 P |
|---|---|
| Calculated formula | C22 H21 Cr O6 P |
| SMILES | C1(c2ccccc2)O[P]1(C1(C(=C(C(=C1C)C)C)C)C)[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | First examples of oxaphosphirane pentacarbonylchromium(0) and -molybdenum(0) complexes: synthesis, structures and reactions |
| Authors of publication | Albrecht, Carolin; Bode, Maren; Pérez, Janaina Marinas; Daniels, Jörg; Schnakenburg, Gregor; Streubel, Rainer |
| Journal of publication | Dalton Transactions |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 11 |
| Pages of publication | 2654 |
| a | 9.5334 ± 0.0003 Å |
| b | 10.1367 ± 0.0004 Å |
| c | 13.1037 ± 0.0005 Å |
| α | 101.172 ± 0.002° |
| β | 110.283 ± 0.002° |
| γ | 102.683 ± 0.002° |
| Cell volume | 1107.27 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179854 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/50. |
7015004.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015004.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015004.cif |
| 14910 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7015000, 7015001, 7015002, 7015003, 7015004, 7015005, 7015006, 7015007, 7015008, 7015009, 7015010, 7015011, 7015012, 7015013, 7015014 via cif-deposit CGI script. |
7015004.cif |
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Users of the data should acknowledge the original authors of the
structural data.