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Information card for entry 2232088
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| Coordinates | 2232088.cif |
|---|---|
| Structure factors | 2232088.hkl |
| Original IUCr paper | HTML |
| Chemical name | [(<i>E</i>)-10-(2,6-Dimethylphenylimino)-9-methyl-9,10-dihydrophenanthren-9- olato]pentamethyldialuminum(III) |
|---|---|
| Formula | C28 H35 Al2 N O |
| Calculated formula | C28 H35 Al2 N O |
| SMILES | [Al]([O]1[Al]([N](=C2c3ccccc3c3ccccc3C12C)c1c(cccc1C)C)(C)C)(C)(C)C |
| Title of publication | [(<i>E</i>)-10-(2,6-Dimethylphenylimino)-9-methyl-9,10-dihydrophenanthren-9-olato]pentamethyldialuminum(III) |
| Authors of publication | Gao, Bo; Su, Qing; Gao, Wei; Mu, Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1374 |
| a | 10.4535 ± 0.0017 Å |
| b | 11.4306 ± 0.0018 Å |
| c | 12.221 ± 0.002 Å |
| α | 84.93 ± 0.003° |
| β | 86.308 ± 0.003° |
| γ | 64.092 ± 0.002° |
| Cell volume | 1307.8 ± 0.4 Å3 |
| Cell temperature | 184.5 ± 0.2 K |
| Ambient diffraction temperature | 184.5 ± 0.2 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 | 0.0838 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (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 2/23/20. |
2232088.cif 2232088.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. |
2232088.cif 2232088.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232088.cif 2232088.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. | 2232088.cif 2232088.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232088.cif 2232088.hkl |
| 29382 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232088 via cif-deposit CGI script. |
2232088.cif |
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Users of the data should acknowledge the original authors of the
structural data.