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Information card for entry 2108747
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| Coordinates | 2108747.cif |
|---|---|
| Structure factors | 2108747.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[tris(2,2'-bipyridine)cobaltate(II)] sesqui(octamolydate) dodecahydrate |
|---|---|
| Formula | C60 H72 Co2 Mo12 N12 O51 |
| Calculated formula | C60 H48 Co2 Mo12 N12 O39 |
| Title of publication | Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates |
| Authors of publication | Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 99 - 114 |
| a | 11.151 ± 0.004 Å |
| b | 21.972 ± 0.006 Å |
| c | 37.57 ± 0.003 Å |
| α | 90° |
| β | 97.218 ± 0.016° |
| γ | 90° |
| Cell volume | 9132 ± 4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.155 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261798 (current) | 2021-02-05 | cif/ Updating files of 2108746, 2108747, 2108748 Original log message: Adding full bibliography for 2108746--2108748.cif. |
2108747.cif 2108747.hkl |
| 261215 | 2021-01-26 | cif/ hkl/ Adding structures of 2108746, 2108747, 2108748 via cif-deposit CGI script. |
2108747.cif 2108747.hkl |
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Users of the data should acknowledge the original authors of the
structural data.