Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2107624
Preview
| Coordinates | 2107624.cif |
|---|---|
| Original paper (by DOI) | 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 | 14.1985 ± 0.0009 Å |
| b | 12.0745 ± 0.0009 Å |
| c | 16.5616 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2839.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Cell measurement pressure | 1670000 ± 19 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 | 0.1032 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1699 |
| Weighted residual factors for all reflections included in the refinement | 0.1927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| 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. |
2107624.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.