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Information card for entry 7024877
Preview
| Coordinates | 7024877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Neodymium(iii) 2,3,5,6-Tetrafluoro-7,7,8,8- Tetracyanoquinodimethane' |
|---|---|
| Chemical name | Neodymium(III) 2,3,5,6-Tetrafluoro-7,7,8,8-Tetracyanoquinodimethane' |
| Formula | C36 H20 F12 N12 Nd O10 |
| Calculated formula | C36 H17 F12 N12 Nd O10 |
| SMILES | [Nd]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([N]#CC(C#N)=C1C(F)=C(F)C(C(F)=C1F)=C(C#N)C#N)[N]#CC(C#N)=C1C(F)=C(F)C(C(F)=C1F)=C(C#N)C#N.FC1C(=C(C#N)C#N)C(F)=C(F)C(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 | 13.552 ± 0.007 Å |
| b | 17.434 ± 0.011 Å |
| c | 18.296 ± 0.011 Å |
| α | 90° |
| β | 96.83 ± 0.02° |
| γ | 90° |
| Cell volume | 4292 ± 4 Å3 |
| Cell temperature | 383 ± 2 K |
| Ambient diffraction temperature | 383 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0838 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1427 |
| Weighted residual factors for all reflections included in the refinement | 0.1507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179953 (current) | 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. |
7024877.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. |
7024877.cif |
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Users of the data should acknowledge the original authors of the
structural data.