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Information card for entry 7024874
Preview
| Coordinates | 7024874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Gadolinium(iii) 2,3,5,6-Tetrafluoro-7,7,8,8- Tetracyanoquinodimethane |
|---|---|
| Chemical name | Gadolinium(III) 2,3,5,6-Tetrafluoro-7,7,8,8-Tetracyanoquinodimethane |
| Formula | C36 H18 F12 Gd N12 O9 |
| Calculated formula | C36 H18 F12 Gd N12 O9 |
| SMILES | [Gd]([OH2])([N]#CC(=C1C(F)=C(F)C(C(F)=C1F)=C(C#N)C#N)C#N)([OH2])([OH2])([OH2])([OH2])([OH2])[N]#CC(C#N)=C1C(F)=C(F)C(=C(C#N)C#N)C(F)=C1F.FC1C(C(F)=C(F)C(=C(C#N)C#N)C=1F)=C(C#N)C#N.O.O.O |
| Title of publication | A homologous heterospin series of mononuclear lanthanide/TCNQF(4) organic radical complexes. |
| Authors of publication | Lopez, Nazario; Zhao, Hanhua; Prosvirin, Andrey V.; Wernsdorfer, Wolfgang; Dunbar, Kim R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 18 |
| Pages of publication | 4341 - 4352 |
| a | 13.701 ± 0.003 Å |
| b | 17.671 ± 0.004 Å |
| c | 17.104 ± 0.003 Å |
| α | 90° |
| β | 103.18 ± 0.03° |
| γ | 90° |
| Cell volume | 4032 ± 1.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0304 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections included in the refinement | 0.0543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024874.cif |
| 179953 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/48. |
7024874.cif |
| 92725 | 2014-01-12 | cif/ Adding structures of 7024870, 7024871, 7024872, 7024873, 7024874, 7024875, 7024876, 7024877, 7024878, 7024879, 7024880, 7024881, 7024882 via cif-deposit CGI script. |
7024874.cif |
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Users of the data should acknowledge the original authors of the
structural data.