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Information card for entry 7052297
Preview
| Coordinates | 7052297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17.5 H0 Fe N10 O0.5 |
|---|---|
| Calculated formula | C17.5 Fe N10 O0.5 |
| Title of publication | Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine |
| Authors of publication | Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2006 |
| Journal volume | 30 |
| Journal issue | 8 |
| Pages of publication | 1197 |
| a | 11.14 ± 0.003 Å |
| b | 11.497 ± 0.003 Å |
| c | 16.854 ± 0.004 Å |
| α | 90 ± 0.018° |
| β | 90 ± 0.019° |
| γ | 90 ± 0.019° |
| Cell volume | 2158.6 ± 1 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.147 |
| Residual factor for significantly intense reflections | 0.1222 |
| Weighted residual factors for significantly intense reflections | 0.2384 |
| Weighted residual factors for all reflections included in the refinement | 0.2524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.362 |
| 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 |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7052297.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052297.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052297.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7052297.cif |
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Users of the data should acknowledge the original authors of the
structural data.