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Information card for entry 7242862
Preview
| Coordinates | 7242862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C115 H73 Cl7 Co14 N40 O18 S12 |
|---|---|
| Calculated formula | C115 H73 Cl7 Co14 N40 O18 S12 |
| SMILES | [Co]1234[S]5c6c7[O]1[Co]189([S](c7ccc6)c6c7[O]8[Co]8%10%11([S](c7ccc6)c6c7[O]%10[Co]%10([S](c7ccc6)c6c([O]2%10)c5ccc6)([Cl]18)([O]=CO%11)[n]1c2[n]4c[nH]c2c(nc1)N)[n]1c2[n]9c[nH]c2c(nc1)N)n1c[n]2[Co]4567[S]8c9c%10[O]5[Co]5%11%12%13[S](c%14c%15[O]%11[Co]%11%16([S](c%17c%18[O]%11[Co]%11%19([S](c%18ccc%17)c%17c([O]6%11)c8ccc%17)([Cl]45)[n]4cn3c3nc[n]([Co]568%11[S]%17c%18c%20[O]6[Co]6%21%22([S](c%20ccc%18)c%18c%20[O]%21[Co]%21%23%24([S](c%20ccc%18)c%18c%20[O]%23[Co]%23([S](c%20ccc%18)c%18c([O]8%23)c%17ccc%18)([Cl]56%21)([O]=CO%24)[n]5c6n%11c[n]([Co](Cl)(Cl)[n]8cn%19c%11[n]%16cnc(N)c8%11)c6c(nc5)N)[n]5c6n%22c[n]([Co](Cl)(Cl)[n]8cn7c7[n]%13cnc(N)c87)c6c(nc5)N)[n]5c(N)c2c1nc5)c(N)c43)c%15ccc%14)[O]=CO%12)c%10ccc9 |
| Title of publication | Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units |
| Authors of publication | Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 24 |
| Pages of publication | 4382 - 4388 |
| a | 22.6762 ± 0.0012 Å |
| b | 24.9574 ± 0.0012 Å |
| c | 32.1099 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18172.2 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267103 (current) | 2021-07-05 | cif/ Updating files of 7242862, 7242863, 7242864, 7242865 Original log message: Adding full bibliography for 7242862--7242865.cif. |
7242862.cif |
| 265233 | 2021-05-15 | cif/ Adding structures of 7242862, 7242863, 7242864, 7242865 via cif-deposit CGI script. |
7242862.cif |
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Users of the data should acknowledge the original authors of the
structural data.