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Information card for entry 1000014
Preview
| Coordinates | 1000014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | SIFSIX-3-Fe |
|---|---|
| Chemical name | SIFSIX-3-Fe |
| Formula | C8 H8 F6 Fe N4 O Si |
| Calculated formula | C8 H8 F6 Fe N4 O Si |
| Title of publication | Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks |
| Authors of publication | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. |
| Journal of publication | Chemical Science |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 2373 - 2380 |
| a | 7.1831 ± 0.0011 Å |
| b | 7.1831 ± 0.0011 Å |
| c | 7.5839 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 391.31 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 123 |
| Hermann-Mauguin space group symbol | P 4/m m m |
| Hall space group symbol | -P 4 2 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.24 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1148 (current) | 2025-07-01 | cif/ Adding structures of 1000011, 1000012, 1000013, 1000014 via cif-deposit CGI script. |
1000014.cif |
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Users of the data should acknowledge the original authors of the
structural data.