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Information card for entry 4111171
Preview
| Coordinates | 4111171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [LZn2Yb(OAc)3(H2O)] CHCl3 |
|---|---|
| Formula | C35 H38 Cl3 N4 O17 Yb Zn2 |
| Calculated formula | C35 H38 Cl3 N4 O17 Yb Zn2 |
| SMILES | [Yb]12345([O]6c7c(cccc7[O]1C)C=[N]1[Zn]67([N](OCCO1)=Cc1c(c6c(cc1)C=[N]1[Zn]8([O]62)([N](OCCO1)=Cc1c(c(ccc1)OC)O8)[O]=C(O4)C)[O]37)OC(=O)C)([O]=C(O5)C)[OH2].ClC(Cl)Cl |
| Title of publication | Helical Metallohost-Guest Complexes via Site-Selective Transmetalation of Homotrinuclear Complexes |
| Authors of publication | Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 15765 - 15774 |
| a | 13.646 ± 0.003 Å |
| b | 15.274 ± 0.003 Å |
| c | 19.81 ± 0.004 Å |
| α | 90° |
| β | 95.0519 ± 0.0008° |
| γ | 90° |
| Cell volume | 4112.9 ± 1.5 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4111171.cif |
| 178882 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11. |
4111171.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111171.cif |
| 60696 | 2012-06-18 | cif/ Adding structures of 4111171 via cif-deposit CGI script. |
4111171.cif |
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