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Information card for entry 2240380
Preview
| Coordinates | 2240380.cif |
|---|---|
| Structure factors | 2240380.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Di-<i>n</i>-butylbis(<i>η</i>^5^-pentamethylcyclopentadienyl)hafnium(IV) |
|---|---|
| Formula | C28 H48 Hf |
| Calculated formula | C28 H48 Hf |
| SMILES | C(CCC)[Hf]12345678(CCCC)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
| Title of publication | Crystal structure of di-<i>n</i>-butylbis(<i>{η</i>}^5^-pentamethylcyclopentadienyl)hafnium(IV) |
| Authors of publication | Arndt, Perdita; Schubert, Kathleen; Burlakov, Vladimir V.; Spannenberg, Anke; Rosenthal, Uwe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m19 - m20 |
| a | 17.1572 ± 0.0003 Å |
| b | 17.232 ± 0.0003 Å |
| c | 17.2966 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5113.79 ± 0.15 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0208 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.038 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240380.cif 2240380.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240380.cif 2240380.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240380.cif 2240380.hkl |
| 129529 | 2015-01-11 | cif/ hkl/ Adding structures of 2240380 via cif-deposit CGI script. |
2240380.cif 2240380.hkl |
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Users of the data should acknowledge the original authors of the
structural data.