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Information card for entry 7006811
Preview
| Coordinates | 7006811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H9 F3 N5 Pd S4 |
|---|---|
| Calculated formula | C20 H9 F3 N5 Pd S4 |
| SMILES | [Pd]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.Fc1cc(C[n+]2ccccc2)cc(F)c1F |
| Title of publication | Quasi-one-dimensional molecular magnets based on derivatives of (fluorobenzyl)pyridinium with the [M(mnt)2] monoanion (M = Ni, Pd or Pt; mnt2- = maleonitriledithiolate): syntheses, crystal structures and magnetic properties. |
| Authors of publication | Ren, X. M.; Nishihara, S.; Akutagawa, T.; Noro, S.; Nakamura, T.; Fujita, W.; Awaga, K.; Ni, Z. P.; Xie, J. L.; Meng, Q. J.; Kremer, R. K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 16 |
| Pages of publication | 1988 - 1994 |
| a | 7.4749 ± 0.0015 Å |
| b | 22.786 ± 0.005 Å |
| c | 13.566 ± 0.003 Å |
| α | 90° |
| β | 98.55 ± 0.03° |
| γ | 90° |
| Cell volume | 2284.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| 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 |
|---|---|---|---|
| 179772 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/68. |
7006811.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006811.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006811.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006811.cif |
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Users of the data should acknowledge the original authors of the
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