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Information card for entry 7019314
Preview
| Coordinates | 7019314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C98 H144 Fe4 N4 O18 |
|---|---|
| Calculated formula | C98 H144 Fe4 N4 O18 |
| Title of publication | Magnetic and optical bistability in tetrairon(iii) single molecule magnets functionalized with azobenzene groups. |
| Authors of publication | Prasad, Thazhe Kootteri; Poneti, Giordano; Sorace, Lorenzo; Rodriguez-Douton, Maria Jesus; Barra, Anne-Laure; Neugebauer, Petr; Costantino, Luca; Sessoli, Roberta; Cornia, Andrea |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 27 |
| Pages of publication | 8368 - 8378 |
| a | 20.0538 ± 0.0011 Å |
| b | 22.4461 ± 0.0011 Å |
| c | 23.9573 ± 0.001 Å |
| α | 90° |
| β | 108.327 ± 0.002° |
| γ | 90° |
| Cell volume | 10236.9 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0959 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7019314.cif |
| 179897 | 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 7/01/93. |
7019314.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019314.cif |
| 62837 | 2012-07-09 | cif/ Adding structures of 7019314 via cif-deposit CGI script. |
7019314.cif |
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