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Information card for entry 4348215
Preview
| Coordinates | 4348215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H108 N6 Ni8 O32 |
|---|---|
| Calculated formula | C98 H108 N6 Ni8 O32 |
| SMILES | C1(c2ccccc2)C(c2ccccc2)=[O][Ni]2345[N]=1O[Ni]1678[N](O[Ni]9%10%11%12[O]3(C)[Ni]3([OH]C)(OC(=O)C)([O]2(C)[Ni]2%13%14([O]93C)[N](O[Ni]39%15([N](=C(c%16ccccc%16)C(c%16ccccc%16)=[O]3)O4)[O]3(C)[Ni]4([N](=C(c%16ccccc%16)C(c%16ccccc%16)=[O]4)O2)(O[N]%10=C(c2ccccc2)C(c2ccccc2)=[O]%11)([O]6(C)[Ni]3([OH]C)(OC(=O)C)([O]79C)[OH]C)[O]8%12[O]5%14%15)=C(c2ccccc2)C(c2ccccc2)=[O]%13)[OH]C)=C(c2ccccc2)C(c2ccccc2)=[O]1.O.O.O.O |
| Title of publication | A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation |
| Authors of publication | Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S. |
| Journal of publication | Inorg. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | 487 |
| a | 13.291 ± 0.002 Å |
| b | 13.838 ± 0.002 Å |
| c | 16.545 ± 0.004 Å |
| α | 108.734 ± 0.003° |
| β | 105.788 ± 0.003° |
| γ | 101.737 ± 0.002° |
| Cell volume | 2628.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0933 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232832 (current) | 2019-11-23 | cif/ Adding structures of 4348215, 4348216, 4348217, 4348218 via cif-deposit CGI script. |
4348215.cif |
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