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Information card for entry 2234068
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| Coordinates | 2234068.cif |
|---|---|
| Structure factors | 2234068.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | tris(3-nitro-acetylacetonato)cobalt(III) |
|---|---|
| Chemical name | Tris(3-nitropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) |
| Formula | C15 H18 Co N3 O12 |
| Calculated formula | C15 H18 Co N3 O12 |
| Title of publication | Tris(3-nitropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) |
| Authors of publication | Johnston, Dean H.; Brangham, Jack T.; Rapp, Christopher D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m312 - m313 |
| a | 32.7078 ± 0.0018 Å |
| b | 32.7078 ± 0.0018 Å |
| c | 7.4976 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8020.9 ± 0.9 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 110 |
| Hermann-Mauguin space group symbol | I 41 c d |
| Hall space group symbol | I 4bw -2c |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2234068.cif 2234068.hkl |
| 181262 | 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 2/23/40. |
2234068.cif 2234068.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. |
2234068.cif 2234068.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234068.cif 2234068.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. | 2234068.cif 2234068.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234068.cif 2234068.hkl |
| 51335 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2234068 via cif-deposit CGI script. |
2234068.cif |
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Users of the data should acknowledge the original authors of the
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