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Information card for entry 4122090
Preview
| Coordinates | 4122090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Ru2(p-DAniF)4(BF)4 |
|---|---|
| Formula | C60 H60 B F4 N8 O8 Ru2 |
| Calculated formula | C60 H60 B F4 N8 O8 Ru2 |
| Title of publication | Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions. |
| Authors of publication | Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 27 |
| Pages of publication | 9580 - 9589 |
| a | 34.973 ± 0.008 Å |
| b | 13.011 ± 0.003 Å |
| c | 12.766 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5809 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4122090.cif |
| 179022 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/20. |
4122090.cif |
| 121269 | 2014-08-05 | cif/ Updating files of 4122084, 4122085, 4122086, 4122087, 4122088, 4122089, 4122090 Original log message: Adding full bibliography for 4122084--4122090.cif. |
4122090.cif |
| 118010 | 2014-06-25 | cif/ Adding structures of 4122084, 4122085, 4122086, 4122087, 4122088, 4122089, 4122090 via cif-deposit CGI script. |
4122090.cif |
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Users of the data should acknowledge the original authors of the
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