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Information card for entry 4326681
Preview
| Coordinates | 4326681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H20 Fe3 O2 P |
|---|---|
| Calculated formula | C23 H20 Fe3 O2 P |
| SMILES | [Fe]12345678([Fe]9%10%11%12%13([Fe]%14%15%16%171([P]29c1ccccc1)(C3=O)[cH]1[cH]%14[cH]%15[cH]%16[cH]%171)(C4=O)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Synthesis and Decarbonylation Reactions of the Triiron Phosphinidene Complex [Fe3Cp3(μ-H)(μ3-PPh)(CO)4]: Easy Cleavage and Formation of P-H and Fe-Fe Bonds |
| Authors of publication | Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 10937 - 10948 |
| a | 30.132 ± 0.0008 Å |
| b | 9.3911 ± 0.0002 Å |
| c | 14.1378 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4000.61 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0953 |
| Residual factor for significantly intense reflections | 0.0861 |
| Weighted residual factors for significantly intense reflections | 0.2122 |
| Weighted residual factors for all reflections included in the refinement | 0.2237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179369 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/66. |
4326681.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326681.cif |
| 49455 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4326681 via cif-deposit CGI script. |
4326681.cif |
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Users of the data should acknowledge the original authors of the
structural data.