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Information card for entry 4326682
Preview
| Coordinates | 4326682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 Fe3 O3 P |
|---|---|
| Calculated formula | C24 H21 Fe3 O3 P |
| SMILES | [Fe]12345678([Fe]9%10%11%12%13%14([Fe]%15%16%17%181([PH]9c1ccccc1)(C3=O)([C]4%10=O)[cH]1[cH]%15[cH]%16[cH]%17[cH]%181)(C2=O)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[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 | 28.5917 ± 0.0019 Å |
| b | 7.7225 ± 0.0005 Å |
| c | 18.4284 ± 0.0013 Å |
| α | 90° |
| β | 91.669 ± 0.002° |
| γ | 90° |
| Cell volume | 4067.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0685 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
4326682.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326682.cif |
| 49456 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4326682 via cif-deposit CGI script. |
4326682.cif |
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