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Information card for entry 2018570
Preview
| Coordinates | 2018570.cif |
|---|---|
| Structure factors | 2018570.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato- κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate |
|---|---|
| Formula | C91.5 H96 Al N3 O3 |
| Calculated formula | C91.5 H96 Al N3 O3 |
| Title of publication | Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato-κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate |
| Authors of publication | Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m226 - m228 |
| a | 13.0728 ± 0.0002 Å |
| b | 15.9452 ± 0.0003 Å |
| c | 19.4565 ± 0.0004 Å |
| α | 75.217 ± 0.001° |
| β | 75.262 ± 0.001° |
| γ | 74.2 ± 0.001° |
| Cell volume | 3697.98 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1268 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.1376 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018570.cif 2018570.hkl |
| 180854 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/85. |
2018570.cif 2018570.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018570.cif 2018570.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018570.cif 2018570.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. | 2018570.cif 2018570.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018570.cif 2018570.hkl |
| 65867 | 2012-09-06 | cif/ Adding structures of 2018570 via cif-deposit CGI script. |
2018570.cif |
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Users of the data should acknowledge the original authors of the
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