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Information card for entry 7011682
Preview
| Coordinates | 7011682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31.76 H27 Fe3 N4.29 O13 |
|---|---|
| Calculated formula | C31.758 H27 Fe3 N4.293 O13 |
| Title of publication | Multi-temperature X-ray diffraction, Mössbauer spectroscopy and magnetic susceptibility studies of a solvated mixed-valence trinuclear iron formate, [Fe3O(HCO2)6(NC5H4CH3)3]·1.3(NC5H4CH3) |
| Authors of publication | Overgaard, Jacob; Rentschler, Eva; Timco, Grigore A.; Gerbeleu, Nicolae V.; Arion, Vladimir; Bousseksou, Azzedine; Tuchagues, Jean Pierre; Larsen, Finn K. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 15 |
| Pages of publication | 2981 |
| a | 24.291 ± 0.003 Å |
| b | 27.373 ± 0.004 Å |
| c | 12.4263 ± 0.0018 Å |
| α | 90° |
| β | 96.796 ± 0.004° |
| γ | 90° |
| Cell volume | 8204 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.109 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.2009 |
| Weighted residual factors for all reflections included in the refinement | 0.2373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011682.cif |
| 179820 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/16. |
7011682.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011682.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011682.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
7011682.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011682.cif |
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