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Information card for entry 2235088
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| Coordinates | 2235088.cif |
|---|---|
| Structure factors | 2235088.hkl |
| Original IUCr paper | HTML |
| Common name | tris(3-chloro-acetilacetonato)aluminium(III) |
|---|---|
| Chemical name | Tris(3-chloropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')aluminium |
| Formula | C15 H18 Al Cl3 O6 |
| Calculated formula | C15 H18 Al Cl3 O6 |
| SMILES | CC1=C(C(=[O][Al]23(O1)([O]=C(C)C(=C(C)O3)Cl)[O]=C(C)C(=C(C)O2)Cl)C)Cl |
| Title of publication | Tris(3-chloropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')aluminium |
| Authors of publication | Perdih, Franc |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m806 |
| a | 12.879 ± 0.0003 Å |
| b | 9.9086 ± 0.0002 Å |
| c | 15.5311 ± 0.0004 Å |
| α | 90° |
| β | 106.368 ± 0.002° |
| γ | 90° |
| Cell volume | 1901.64 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| 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 | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181272 (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 2/23/50. |
2235088.cif 2235088.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. |
2235088.cif 2235088.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235088.cif 2235088.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. | 2235088.cif 2235088.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235088.cif 2235088.hkl |
| 61736 | 2012-07-05 | cif/ Adding structures of 2235088 via cif-deposit CGI script. |
2235088.cif |
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Users of the data should acknowledge the original authors of the
structural data.