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Information card for entry 7118056
Preview
| Coordinates | 7118056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 Cu N10 O4 |
|---|---|
| Calculated formula | C20 H16 Cu N10 O4 |
| Title of publication | A π-electron deficient diaminotriazine functionalized MOF for selective sorption of benzene over cyclohexane. |
| Authors of publication | Manna, Biplab; Mukherjee, Soumya; Desai, Aamod V.; Sharma, Shivani; Krishna, Rajamani; Ghosh, Sujit K. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 84 |
| Pages of publication | 15386 - 15389 |
| a | 17.7157 ± 0.0006 Å |
| b | 22.1231 ± 0.0008 Å |
| c | 25.3814 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9947.6 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P b n b |
| Hall space group symbol | -P 2bc 2ab |
| Residual factor for all reflections | 0.0814 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.154 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170157 (current) | 2015-11-07 | cif/ Adding structures of 7118056 via cif-deposit CGI script. |
7118056.cif |
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Users of the data should acknowledge the original authors of the
structural data.