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Information card for entry 1549713
Preview
| Coordinates | 1549713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H46 Mn0.5 N6 O14 S2 |
|---|---|
| Calculated formula | C42 H46 Mn0.5 N6 O14 S2 |
| Title of publication | Double role of metalloporphyrins in catalytic bioinspired supramolecular metal‒organic frameworks (SMOFs) |
| Authors of publication | Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Larrea, Edurne S.; Bazán, Begoña; Urtiaga, Miren Karmele; Iglesias, Marta; Arriortua, María Isabel |
| Journal of publication | IUCrJ |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 5 |
| a | 9.7187 ± 0.0004 Å |
| b | 11.2496 ± 0.0005 Å |
| c | 21.8708 ± 0.0007 Å |
| α | 88.401 ± 0.003° |
| β | 83.848 ± 0.003° |
| γ | 64.446 ± 0.004° |
| Cell volume | 2144.39 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0984 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1516 |
| Weighted residual factors for all reflections included in the refinement | 0.1742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209167 (current) | 2018-07-20 | cif/ Adding structures of 1549713 via cif-deposit CGI script. |
1549713.cif |
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Users of the data should acknowledge the original authors of the
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