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Information card for entry 4338821
Preview
| Coordinates | 4338821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H28 N2 Ni2 O16 |
|---|---|
| Calculated formula | C11 H28 N2 Ni2 O16 |
| SMILES | C1CC[N]23[Ni]45([N]1(CC(=O)O5)CC(=O)O4)(OC(=O)C2)OC(=O)C3.[OH2][Ni]([OH2])([OH2])([OH2])([OH2])[OH2].O.O |
| Title of publication | Secrets of Solid State and Aqueous Solution Structures of [Ni(tmdta)](2-). |
| Authors of publication | Meier, Roland; Platas-Iglesias, Carlos; Heinemann, Frank W.; Linti, Gerald; Schulte, Jürgen; Srivastava, Sunil K. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 13 |
| Pages of publication | 6684 - 6697 |
| a | 13.213 ± 0.003 Å |
| b | 11.612 ± 0.002 Å |
| c | 13.676 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2098.3 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338821.cif |
| 179491 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/88. |
4338821.cif |
| 121151 | 2014-08-05 | cif/ Updating files of 4338819, 4338820, 4338821 Original log message: Adding full bibliography for 4338819--4338821.cif. |
4338821.cif |
| 116472 | 2014-06-13 | cif/ Adding structures of 4338821 via cif-deposit CGI script. |
4338821.cif |
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