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Information card for entry 2237367
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| Coordinates | 2237367.cif |
|---|---|
| Structure factors | 2237367.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)bis(2,6- diisopropylphenylamido-κ<i>N</i>)zirconium(IV) |
|---|---|
| Formula | C36 H67 N5 Zr |
| Calculated formula | C36 H67 N5 Zr |
| SMILES | [Zr](Nc1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)([NH](CC)CC)(N(CC)CC)N(CC)CC |
| Title of publication | Bis(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)bis(2,6-diisopropylphenylamido-κ<i>N</i>)zirconium(IV) |
| Authors of publication | Zauliczny, Mateusz; Grubba, Rafał; Ponikiewski, Łukasz; Pikies, Jerzy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m72 |
| a | 11.2079 ± 0.0003 Å |
| b | 13.1612 ± 0.0005 Å |
| c | 14.3443 ± 0.0006 Å |
| α | 86.578 ± 0.003° |
| β | 70.484 ± 0.003° |
| γ | 71.232 ± 0.003° |
| Cell volume | 1885.6 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0921 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.1797 |
| Weighted residual factors for all reflections included in the refinement | 0.1882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (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 2/23/73. |
2237367.cif 2237367.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. |
2237367.cif 2237367.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237367.cif 2237367.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237367.cif 2237367.hkl |
| 75383 | 2013-03-09 | cif/ Adding structures of 2237367 via cif-deposit CGI script. |
2237367.cif |
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Users of the data should acknowledge the original authors of the
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