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Information card for entry 2238465
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| Coordinates | 2238465.cif |
|---|---|
| Structure factors | 2238465.hkl |
| Original IUCr paper | HTML |
| Chemical name | Trichlorido{methyl[4-(methylimino)pent-2-en-2-yl]azanido-κ^2^<i>N</i>,<i>N</i>'}hafnium(IV) |
|---|---|
| Formula | C29 H41 Cl3 Hf N2 |
| Calculated formula | C29 H41 Cl3 Hf N2 |
| SMILES | C1(=CC(C)=[N]([Hf](N1c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)Cl)c1c(cccc1C(C)C)C(C)C)C |
| Title of publication | Trichlorido{methyl[4-(methylimino)pent-2-en-2-yl]azanido-κ^2^<i>N</i>,<i>N</i>'}hafnium(IV) |
| Authors of publication | Ikeda, Ken; Masuda, Hideki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m505 |
| a | 13.98 ± 0.003 Å |
| b | 21.808 ± 0.004 Å |
| c | 9.8492 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3002.8 ± 1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/84. |
2238465.cif 2238465.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238465.cif 2238465.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238465.cif 2238465.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238465.cif 2238465.hkl |
| 88585 | 2013-10-02 | cif/ Adding structures of 2238465 via cif-deposit CGI script. |
2238465.cif |
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