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Information card for entry 4085331
Preview
| Coordinates | 4085331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H64 Fe2 P2 |
|---|---|
| Calculated formula | C66 H64 Fe2 P2 |
| Title of publication | Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes |
| Authors of publication | Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 3 |
| Pages of publication | 622 |
| a | 10.2166 ± 0.0003 Å |
| b | 10.7026 ± 0.0003 Å |
| c | 23.9655 ± 0.0006 Å |
| α | 98.774 ± 0.002° |
| β | 101.682 ± 0.002° |
| γ | 90.058 ± 0.002° |
| Cell volume | 2534.8 ± 0.12 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178742 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/53. |
4085331.cif |
| 132970 | 2015-03-04 | cif/ Updating files of 4085329, 4085330, 4085331, 4085332, 4085333, 4085334, 4085335, 4085336 Original log message: Adding full bibliography for 4085329--4085336.cif. |
4085331.cif |
| 130838 | 2015-02-04 | cif/ Adding structures of 4085329, 4085330, 4085331, 4085332, 4085333, 4085334, 4085335, 4085336 via cif-deposit CGI script. |
4085331.cif |
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Users of the data should acknowledge the original authors of the
structural data.