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Information card for entry 7245486
Preview
| Coordinates | 7245486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H67 N12 O28 P5 |
|---|---|
| Calculated formula | C36 H67 N12 O28 P5 |
| Title of publication | Oligomeric phosphate clusters in macrocyclic channels |
| Authors of publication | Bowman-James, Kristin; Pramanik, Subhamay; Day, Victor W.; Thordarson, Pall |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 14.1582 ± 0.0002 Å |
| b | 14.7759 ± 0.0003 Å |
| c | 14.9206 ± 0.0003 Å |
| α | 70.4003 ± 0.001° |
| β | 73.135 ± 0.0011° |
| γ | 69.4031 ± 0.0011° |
| Cell volume | 2699.64 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0654 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277849 (current) | 2022-09-15 | cif/ Adding structures of 7245486 via cif-deposit CGI script. |
7245486.cif |
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Users of the data should acknowledge the original authors of the
structural data.