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Information card for entry 7236548
Preview
| Coordinates | 7236548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H86 Ca Cu6 N6 O32 |
|---|---|
| Calculated formula | C40 H53.9997 Ca Cu6 N6 O28 |
| Title of publication | Tuning the selectivity of light hydrocarbons in natural gas in a family of isoreticular MOFs |
| Authors of publication | Grancha, Thais; Mon, Marta; Ferrando-Soria, Jesús; Gascon, Jorge; Seoane, Beatriz; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 22 |
| Pages of publication | 11032 |
| a | 17.603 ± 0.006 Å |
| b | 17.603 ± 0.006 Å |
| c | 13.045 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3501 ± 2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.1175 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.181 |
| Weighted residual factors for all reflections included in the refinement | 0.2043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236298 (current) | 2019-11-24 | cif/ Adding structures of 7236547, 7236548 via cif-deposit CGI script. |
7236548.cif |
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Users of the data should acknowledge the original authors of the
structural data.