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Information card for entry 2107622
Preview
| Coordinates | 2107622.cif |
|---|---|
| Structure factors | 2107622.hkl |
| Original IUCr paper | HTML |
| Formula | C15 H14 Mn N2 O6 |
|---|---|
| Calculated formula | C15 H14 Mn N2 O6 |
| Title of publication | Anisotropic compressibility of the coordination polymer emim[Mn(btc)] |
| Authors of publication | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 389 - 394 |
| a | 14.648 ± 0.0009 Å |
| b | 12.4006 ± 0.001 Å |
| c | 16.6062 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3016.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Cell measurement pressure | 300000 ± 16 kPa |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1068 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183119 (current) | 2016-05-28 | cif/ hkl/ Adding structures of 2107622, 2107623, 2107624, 2107625, 2107626, 2107627 via cif-deposit CGI script. |
2107622.cif 2107622.hkl |
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Users of the data should acknowledge the original authors of the
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