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Information card for entry 4134691
Preview
| Coordinates | 4134691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C166 H174 Mn4 N38 O16 |
|---|---|
| Calculated formula | C166 H174 Mn4 N38 O16 |
| Title of publication | Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers. |
| Authors of publication | Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 16 |
| Pages of publication | 7283 - 7288 |
| a | 14.5195 ± 0.0007 Å |
| b | 47.357 ± 0.002 Å |
| c | 14.8983 ± 0.0007 Å |
| α | 90° |
| β | 101.308 ± 0.001° |
| γ | 90° |
| Cell volume | 10045.2 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1036 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.2406 |
| Weighted residual factors for all reflections included in the refinement | 0.2541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4134691.cif |
| 251461 | 2020-05-04 | cif/ Updating files of 4134690, 4134691, 4134692, 4134693, 4134694 Original log message: Adding full bibliography for 4134690--4134694.cif. |
4134691.cif |
| 250720 | 2020-04-14 | cif/ Adding structures of 4134690, 4134691, 4134692, 4134693, 4134694 via cif-deposit CGI script. |
4134691.cif |
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Users of the data should acknowledge the original authors of the
structural data.