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Information card for entry 2312041
Preview
| Coordinates | 2312041.cif |
|---|---|
| Structure factors | 2312041.hkl |
| Original IUCr paper | 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 | 7.0784 ± 0.0003 Å |
| b | 13.3979 ± 0.0005 Å |
| c | 22.009 ± 0.0012 Å |
| α | 90° |
| β | 98.359 ± 0.005° |
| γ | 90° |
| Cell volume | 2065.07 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0863 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282414 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2312041, 2312042 via cif-deposit CGI script. |
2312041.cif 2312041.hkl |
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Users of the data should acknowledge the original authors of the
structural data.