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Information card for entry 4349814
Preview
| Coordinates | 4349814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H84 N6 O30 Sr4 |
|---|---|
| Calculated formula | C84 H90 N6 O30 Sr4 |
| Title of publication | Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks |
| Authors of publication | Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | 541 |
| a | 14.287 ± 0.005 Å |
| b | 19.257 ± 0.005 Å |
| c | 19.522 ± 0.005 Å |
| α | 65.213 ± 0.005° |
| β | 73.212 ± 0.005° |
| γ | 75.976 ± 0.005° |
| Cell volume | 4623 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235855 (current) | 2019-11-24 | cif/ Adding structures of 4349811, 4349812, 4349813, 4349814 via cif-deposit CGI script. |
4349814.cif |
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Users of the data should acknowledge the original authors of the
structural data.