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Information card for entry 7049013
Preview
| Coordinates | 7049013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47 H58 Cl4 F9 N4 Ni O20 S3 Y Zn |
|---|---|
| Calculated formula | C47 H58 Cl4 F9 N4 Ni O20 S3 Y Zn |
| Title of publication | Influence of ancillary ligands and solvents on the nuclearity of Ni-Ln complexes. |
| Authors of publication | Costes, Jean-Pierre; Mallet-Ladeira, Sonia; Vendier, Laure; Maurice, Rémi; Wernsdorfer, Wolfgang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 10 |
| Pages of publication | 3404 - 3414 |
| a | 16.958 ± 0.0004 Å |
| b | 16.244 ± 0.0004 Å |
| c | 24.393 ± 0.0006 Å |
| α | 90° |
| β | 104.88 ± 0.002° |
| γ | 90° |
| Cell volume | 6494.1 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 10 |
| 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 | 0.1102 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049013.cif |
| 223813 | 2019-11-07 | cif/ Updating files of 7049013, 7049014, 7049015, 7049016 Original log message: Adding full bibliography for 7049013--7049016.cif. |
7049013.cif |
| 213634 | 2019-02-14 | cif/ Adding structures of 7049013, 7049014, 7049015, 7049016 via cif-deposit CGI script. |
7049013.cif |
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Users of the data should acknowledge the original authors of the
structural data.