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Information card for entry 2107629
Preview
| Coordinates | 2107629.cif |
|---|---|
| Structure factors | 2107629.hkl |
| Original IUCr paper | HTML |
| Formula | C12 H30 Co N11 O9 |
|---|---|
| Calculated formula | C12 H30 Co N11.0006 O9 |
| Title of publication | The <i>Z</i>' = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H···O hydrogen bonds |
| Authors of publication | Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Larsen, Finn Krebs |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 372 - 380 |
| a | 8.4283 ± 0.0001 Å |
| b | 14.5984 ± 0.0001 Å |
| c | 15.7057 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 89.9943 ± 0.0003° |
| Cell volume | 1932.42 ± 0.03 Å3 |
| Cell temperature | 95 K |
| Ambient diffraction temperature | 95 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 (c,2*a+c,b) |
| Hall space group symbol | P 2yb (-1/2*x+z,1/2*x,y) |
| Residual factor for all reflections | 0.1519 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for significantly intense reflections | 2.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.32 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.50917 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183121 (current) | 2016-05-28 | cif/ hkl/ Adding structures of 2107629 via cif-deposit CGI script. |
2107629.cif 2107629.hkl |
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Users of the data should acknowledge the original authors of the
structural data.