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Information card for entry 4082806
Preview
| Coordinates | 4082806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49.5 H66 N6 Si2 Zr |
|---|---|
| Calculated formula | C49.5 H66 N6 Si2 Zr |
| Title of publication | Zirconium and Hafnium Hydrazinediido Half-Sandwich Complexes: Synthesis and Reactivity |
| Authors of publication | Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1726 |
| a | 11.135 ± 0.007 Å |
| b | 11.859 ± 0.007 Å |
| c | 19.746 ± 0.01 Å |
| α | 79.35 ± 0.008° |
| β | 78.097 ± 0.012° |
| γ | 68.934 ± 0.014° |
| Cell volume | 2363 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4082806.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4082806.cif |
| 109786 | 2014-04-17 | cif/ Updating files of 4082806 Original log message: Adding full bibliography for 4082806.cif. |
4082806.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082806.cif |
| 109669 | 2014-04-17 | cif/ Updating files of 4082806 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082806.cif. |
4082806.cif |
| 108667 | 2014-04-02 | cif/ Adding structures of 4082801, 4082802, 4082803, 4082804, 4082805, 4082806 via cif-deposit CGI script. |
4082806.cif |
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Users of the data should acknowledge the original authors of the
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