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Information card for entry 7117171
Preview
| Coordinates | 7117171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Benzimidazolium selenate |
|---|---|
| Formula | C14 H14 N4 O4 Se |
| Calculated formula | C14 H14 N4 O4 Se |
| Title of publication | Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure |
| Authors of publication | Cristina Mottillo; Tomislav Friscic |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 8924 |
| a | 18.5107 ± 0.0019 Å |
| b | 18.5107 ± 0.0019 Å |
| c | 18.953 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6494.2 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 136594 (current) | 2015-05-15 | cif/ Adding structures of 7117166, 7117167, 7117168, 7117169, 7117170, 7117171, 7117172, 7117173, 7117174 via cif-deposit CGI script. |
7117171.cif |
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Users of the data should acknowledge the original authors of the
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