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Information card for entry 7006077
Preview
| Coordinates | 7006077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(triethylselenonium) hexaiodozirconate(IV) |
|---|---|
| Formula | C12 H30 I6 Se2 Zr |
| Calculated formula | C12 H30 I6 Se2 Zr |
| SMILES | C(C)[Se+](CC)CC.I[Zr](I)(I)(I)([I-])[I-].C(C)[Se+](CC)CC |
| Title of publication | Thio- and seleno-ether complexes with Group 4 tetrahalides and tin tetrachloride: preparation and use in CVD for metal chalcogenide films. |
| Authors of publication | Reid, Stuart D.; Hector, Andrew L.; Levason, William; Reid, Gillian; Waller, Benjamin J.; Webster, Michael |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 42 |
| Pages of publication | 4769 - 4777 |
| a | 14.1964 ± 0.001 Å |
| b | 14.1964 ± 0.001 Å |
| c | 14.1964 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2861.1 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179764 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/60. |
7006077.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006077.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006077.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006077.cif |
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