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Information card for entry 4350820
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| Coordinates | 4350820.cif |
|---|---|
| Structure factors | 4350820.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | heptakis(aqua)-(1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato)-neodymium(iii) |
|---|---|
| Formula | C6 H14 N7 Nd O10 |
| Calculated formula | C6 H14 N7 Nd O10 |
| Title of publication | Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions |
| Authors of publication | Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2023 |
| Journal volume | 10 |
| Pages of publication | 1037 - 1048 |
| a | 11.9718 ± 0.0003 Å |
| b | 6.8227 ± 0.0002 Å |
| c | 16.7881 ± 0.0004 Å |
| α | 90° |
| β | 93.46 ± 0.001° |
| γ | 90° |
| Cell volume | 1368.75 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0229 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287834 (current) | 2023-11-28 | cif/ hkl/ Adding structures of 4350820 via cif-deposit CGI script. |
4350820.cif 4350820.hkl |
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