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Information card for entry 7714939
Preview
| Coordinates | 7714939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C336 H462 Co16 N78 O88 S16 |
|---|---|
| Calculated formula | C246 H242 Co16 N50 O54 S16 |
| Title of publication | Increasing the stability of calixarene-capped porous cages through coordination sphere tuning. |
| Authors of publication | Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 4005 - 4009 |
| a | 12.3693 ± 0.001 Å |
| b | 27.89 ± 0.002 Å |
| c | 31.192 ± 0.002 Å |
| α | 104.673 ± 0.004° |
| β | 97.371 ± 0.004° |
| γ | 98.45 ± 0.005° |
| Cell volume | 10141.5 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1438 |
| Residual factor for significantly intense reflections | 0.1014 |
| Weighted residual factors for significantly intense reflections | 0.2713 |
| Weighted residual factors for all reflections included in the refinement | 0.3079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290217 (current) | 2024-03-04 | cif/ Updating files of 7714937, 7714938, 7714939 Original log message: Adding full bibliography for 7714937--7714939.cif. |
7714939.cif |
| 288710 | 2024-01-06 | cif/ Adding structures of 7714937, 7714938, 7714939 via cif-deposit CGI script. |
7714939.cif |
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Users of the data should acknowledge the original authors of the
structural data.