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Information card for entry 4122871
Preview
| Coordinates | 4122871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H61 Cl4 Li N3 O7 Rh3 |
|---|---|
| Calculated formula | C42 H57 Cl4 Li N3 O6 Rh3 |
| SMILES | [Rh]12345(Cl)(n6c([n]7[Rh]89%10%11(Cl)([O]=C%12O[Li](OC(=[O]1)c6c7%12)([OH]C)[OH]C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)c1c[n]([Rh]6789(Cl)(Cl)[c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)ccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands. |
| Authors of publication | Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 44 |
| Pages of publication | 15521 - 15524 |
| a | 7.9644 ± 0.0007 Å |
| b | 15.4104 ± 0.0014 Å |
| c | 21.4544 ± 0.0019 Å |
| α | 104.205 ± 0.001° |
| β | 97.878 ± 0.001° |
| γ | 103.111 ± 0.001° |
| Cell volume | 2433.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179030 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28. |
4122871.cif |
| 127048 | 2014-11-12 | cif/ Updating files of 4122867, 4122868, 4122869, 4122870, 4122871, 4122872 Original log message: Adding full bibliography for 4122867--4122872.cif. |
4122871.cif |
| 126032 | 2014-10-30 | cif/ Adding structures of 4122867, 4122868, 4122869, 4122870, 4122871, 4122872 via cif-deposit CGI script. |
4122871.cif |
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Users of the data should acknowledge the original authors of the
structural data.