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Information card for entry 4082801
Preview
| Coordinates | 4082801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H50 N6 Zr |
|---|---|
| Calculated formula | C41 H50 N6 Zr |
| SMILES | c1ccccc1N(c1ccccc1)N=[Zr]12345([n]6ccc(cc6)N(C)C)(N6CCCC6=[N]1c1cc(C)cc(C)c1)[c]1([c]3([c]2(C)[c]5([c]41C)C)C)C |
| 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 | 19.33688 ± 0.00007 Å |
| b | 15.94563 ± 0.00005 Å |
| c | 24.70487 ± 0.0001 Å |
| α | 90° |
| β | 101.274 ± 0.0004° |
| γ | 90° |
| Cell volume | 7470.47 ± 0.05 Å3 |
| Cell temperature | 110 ± 1 K |
| Ambient diffraction temperature | 110 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178717 (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 4/08/28. |
4082801.cif |
| 109781 | 2014-04-17 | cif/ Updating files of 4082801 Original log message: Adding full bibliography for 4082801.cif. |
4082801.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. |
4082801.cif |
| 109664 | 2014-04-17 | cif/ Updating files of 4082801 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082801.cif. |
4082801.cif |
| 108667 | 2014-04-02 | cif/ Adding structures of 4082801, 4082802, 4082803, 4082804, 4082805, 4082806 via cif-deposit CGI script. |
4082801.cif |
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Users of the data should acknowledge the original authors of the
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