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Information card for entry 4110287
Preview
| Coordinates | 4110287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tb1 |
|---|---|
| Formula | C45.5 H41 N6.5 O28.25 Tb V6 |
| Calculated formula | C45.2 H44.8 N6.4 O27.4 Tb V6 |
| Title of publication | A Coordination Network That Catalyzes O2-Based Oxidations |
| Authors of publication | Jong Woo Han; Craig L. Hill |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 15094 - 15095 |
| a | 13.102 ± 0.004 Å |
| b | 26.279 ± 0.009 Å |
| c | 26.104 ± 0.006 Å |
| α | 90° |
| β | 93.923 ± 0.005° |
| γ | 90° |
| Cell volume | 8967 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1666 |
| Residual factor for significantly intense reflections | 0.1318 |
| Weighted residual factors for significantly intense reflections | 0.3367 |
| Weighted residual factors for all reflections included in the refinement | 0.3582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Suboptimal structure of | 4110275 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215354 (current) | 2019-05-21 | cif/ Removed the _cod_suboptimal_structure data item in preparation for its deprecation. The fact that the structure is a suboptimal one should be derived from the presence of the _cod_related_optimal_struct data item. |
4110287.cif |
| 212006 | 2018-11-16 | cif/4/ (antanas@echidna) Replacing the long forms of the _cod_related_optimal_structure and _cod_related_optimal_structure data names with their shorter equivalents that are formally defined in the 'cif_cod' dictionary in entries 4108791, 4108810, 4109038, 4109039, 4109040, 4109833, 4109834, 4110287, 4113994. |
4110287.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4110287.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110287.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110287.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110287.cif |
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Users of the data should acknowledge the original authors of the
structural data.