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Information card for entry 4518816
Preview
| Coordinates | 4518816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | C10H18Ba2N8O16P4 |
|---|---|
| Formula | C10 H20 Ba2 N8 O16 P4 |
| Calculated formula | C10 H20 Ba2 N8 O16 P4 |
| Title of publication | Robust Barium Phosphonate Metal‒Organic Frameworks Synthesized under Aqueous Conditions |
| Authors of publication | Salmeia, Khalifah A.; Dolabella, Simone; Parida, Dambarudhar; Frankcombe, Terry J.; Afaneh, Akef T.; Cordova, Kyle E.; Al-Maythalony, Bassem; Zhao, Shanyu; Civioc, Romain; Marashdeh, Ali; Spingler, Bernhard; Frison, Ruggero; Neels, Antonia |
| Journal of publication | ACS Materials Letters |
| Year of publication | 2021 |
| Pages of publication | 1010 - 1015 |
| a | 14.0869 ± 0.0011 Å |
| b | 13.5308 ± 0.001 Å |
| c | 7.0893 ± 0.0005 Å |
| α | 90° |
| β | 104.185 ± 0.006° |
| γ | 90° |
| Cell volume | 1310.07 ± 0.17 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266479 (current) | 2021-06-16 | cif/ Adding structures of 4518816 via cif-deposit CGI script. |
4518816.cif |
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