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Information card for entry 4100022
Preview
| Coordinates | 4100022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 N Ni O4 P |
|---|---|
| Calculated formula | C3 N Ni O4 P |
| Title of publication | Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal−Organic Framework, Ni-STA-12 |
| Authors of publication | Miller, Stuart R.; Pearce, Gordon M.; Wright, Paul A.; Bonino, Francesca; Chavan, Sachin; Bordiga, Silvia; Margiolaki, Irene; Guillou, Nathalie; Férey, Gérard; Bourrelly, Sandrine; Llewellyn, Philip L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Journal issue | 47 |
| Pages of publication | 15967 - 15981 |
| a | 27.91436 ± 0.00012 Å |
| b | 27.91436 Å |
| c | 6.165502 ± 0.000021 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4160.59 ± 0.02 Å3 |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| RFsqd | 0.064 |
| Goodness-of-fit parameter for all reflections | 4.14 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.8002 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1291 (current) | 2025-07-01 | cif/ Adding structures of 4100022 via cif-deposit CGI script. |
4100022.cif |
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Users of the data should acknowledge the original authors of the
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