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Information card for entry 4100023
Preview
| Coordinates | 4100023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 N Ni O3 P |
|---|---|
| Calculated formula | C3 N Ni O3 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 | 6.03475 ± 0.00005 Å |
| b | 14.91565 ± 0.00022 Å |
| c | 16.15721 ± 0.00021 Å |
| α | 112.572 ± 0.0007° |
| β | 95.7025 ± 0.0011° |
| γ | 96.495 ± 0.0011° |
| Cell volume | 1318.06 ± 0.03 Å3 |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| RFsqd | 0.07196 |
| Goodness-of-fit parameter for all reflections | 3.01 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.8002 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.