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Information card for entry 4326680
Preview
| Coordinates | 4326680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 Fe3 O3 P |
|---|---|
| Calculated formula | C24 H21 Fe3 O3 P |
| SMILES | [Fe]123456([Fe]789%10%11%12([Fe]%13%14%15%16([P]17c1ccccc1)(C#[O])([cH]1[cH]%13[cH]%14[cH]%15[cH]%161)[H]%12)(C2=O)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31 |
| 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 | 8.6127 ± 0.0003 Å |
| b | 9.3554 ± 0.0003 Å |
| c | 14.2511 ± 0.0004 Å |
| α | 78.704 ± 0.002° |
| β | 75.595 ± 0.002° |
| γ | 73.497 ± 0.002° |
| Cell volume | 1056.63 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0232 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0553 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| 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. |
4326680.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326680.cif |
| 49454 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4326680 via cif-deposit CGI script. |
4326680.cif |
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Users of the data should acknowledge the original authors of the
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