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Information card for entry 7202498
Preview
| Coordinates | 7202498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate |
|---|---|
| Formula | C20 H30 Cr2 F6 P5 Sb |
| Calculated formula | C20 H30 Cr2 F6 P5 Sb |
| SMILES | [Sb](F)(F)(F)(F)([F-])F.[c]12([c]3([c]4([c]5([c]1(C)[Cr]16782345[P]23[P]41[P]16[P]57[P]82[Cr]26783415[c]1([c]8([c]7([c]6([c]21C)C)C)C)C)C)C)C)C |
| Title of publication | Structural?magnetic correlations on the first dinuclear spin crossover d4 system |
| Authors of publication | Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2007 |
| Journal volume | 17 |
| Journal issue | 5 |
| Pages of publication | 485 |
| a | 22.9096 ± 0.0011 Å |
| b | 21.2711 ± 0.001 Å |
| c | 22.8969 ± 0.0012 Å |
| α | 90° |
| β | 101.206 ± 0.002° |
| γ | 90° |
| Cell volume | 10945.2 ± 0.9 Å3 |
| Cell temperature | 50 ± 2 K |
| Ambient diffraction temperature | 50 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180355 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/24. |
7202498.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202498.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202498.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202498.cif |
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