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Information card for entry 4348944
Preview
| Coordinates | 4348944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H112 Cu8 Dy4 N16 O40 |
|---|---|
| Calculated formula | C96 H112 Cu8 Dy4 N16 O40 |
| SMILES | C1Cc2cccc[n]2[Cu]234[O]51[Cu]167[n]8c(CC[O]41[Dy]149%10([O]3[Dy]3%11%125([O]=C([C@H]5NC(=O)CC5)O[Cu]5%13%14[n]%15c(CC[O]%165[Cu]5%17([n]%18c(CC[O]3%135)cccc%18)OC([C@H]3NC(=O)CC3)=[O][Dy]35%13%16([O]%16%18CCc%19cccc[n]%19[Cu]%19%20%16[O]%16%21CCc%22cccc[n]%22[Cu]%18%16(OC([C@H]%16NC(=O)CC%16)=[O]3)[O]%13[Dy]3%13%16%21([O]%18%21CCc%22cccc[n]%22[Cu]%21([O]%211CCc1cccc[n]1[Cu]%18%21(OC([C@H]1NC(=O)CC1)=[O]3)O%13)(OC([C@H]1NC(=O)CC1)=[O]4)[O]%10%16)([O]=C([C@H]1NC(=O)CC1)O%19)[O]5%20)([O]%11%14)[O]%12%17)cccc%15)([O]=C([C@H]1NC(=O)CC1)O6)[O]79)[O]=C([C@H]1NC(=O)CC1)O2)cccc8 |
| Title of publication | Chiral biomolecule based dodecanuclear dysprosium(iii)‒copper(ii) clusters: structural analyses and magnetic properties |
| Authors of publication | Joarder, Biplab; Mukherjee, Soumya; Patil, Mahendra; Xue, Shufang; Tang, Jinkui; Ghosh, Sujit K. |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 9 |
| Pages of publication | 854 |
| a | 16.9996 ± 0.001 Å |
| b | 16.9996 ± 0.001 Å |
| c | 13.1497 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3800.1 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 89 |
| Hermann-Mauguin space group symbol | P 4 2 2 |
| Hall space group symbol | P 4 2 |
| Residual factor for all reflections | 0.1087 |
| Residual factor for significantly intense reflections | 0.1045 |
| Weighted residual factors for significantly intense reflections | 0.3538 |
| Weighted residual factors for all reflections included in the refinement | 0.3586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.636 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233501 (current) | 2019-11-23 | cif/ Adding structures of 4348944 via cif-deposit CGI script. |
4348944.cif |
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Users of the data should acknowledge the original authors of the
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