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Information card for entry 2312042
Preview
| Coordinates | 2312042.cif |
|---|---|
| Structure factors | 2312042.hkl |
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Ba O16 |
|---|---|
| Calculated formula | C18 H18 Ba O16 |
| Title of publication | Efficient modulation of a barium metal-organic framework using amino acids. |
| Authors of publication | Safari, Manije; Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 2 |
| Pages of publication | 114 - 121 |
| a | 7.2781 ± 0.0003 Å |
| b | 13.4581 ± 0.0004 Å |
| c | 22.4129 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2195.33 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0733 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282414 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2312041, 2312042 via cif-deposit CGI script. |
2312042.cif 2312042.hkl |
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Users of the data should acknowledge the original authors of the
structural data.