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Information card for entry 4001226
Preview
| Coordinates | 4001226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(eta5-cyclopentadienyl)bis(methylselenolato)hafnium(IV) |
|---|---|
| Formula | C12 H16 Hf Se2 |
| Calculated formula | C12 H16 Hf Se2 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Hf]16782345([cH]2[cH]1[cH]7[cH]8[cH]62)([Se]C)[Se]C |
| Title of publication | Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te) |
| Authors of publication | Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2008 |
| Journal volume | 20 |
| Journal issue | 15 |
| Pages of publication | 5100 |
| a | 9.5191 ± 0.001 Å |
| b | 9.5191 ± 0.001 Å |
| c | 14.604 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1323.3 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0212 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0443 |
| Weighted residual factors for all reflections included in the refinement | 0.045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001226.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001226.cif |
| 41926 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001225, 4001226, 4001227, 4001228, 4001229 via cif-deposit CGI script. |
4001226.cif |
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Users of the data should acknowledge the original authors of the
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