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Information card for entry 4348635
Preview
| Coordinates | 4348635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C73 H159 Br Cr Mo6 N5 O25 |
|---|---|
| Calculated formula | C73 H159 Br Cr Mo6 N5 O25 |
| SMILES | [Cr]12345[O]67[Mo]89(O[Mo]%106(=O)(=O)[OH]3[Mo]3(O[Mo]6%11(=O)(=O)O[Mo]%12(=O)(O[Mo](=O)([O]1%12CC(C7)(c1ccncc1)C[O]53%11)(=O)(O8)[OH]29)(=O)[OH]46)(=O)(=O)O%10)(=O)=O.[Br-].[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O |
| Title of publication | Composite Hybrid Cluster Built from the Integration of Polyoxometalate and a Metal Halide Cluster: Synthetic Strategy, Structure, and Properties. |
| Authors of publication | Li, Xin-Xiong; Ma, Xiang; Zheng, Wen-Xu; Qi, Yan-Jie; Zheng, Shou-Tian; Yang, Guo-Yu |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 17 |
| Pages of publication | 8257 - 8259 |
| a | 16.2547 ± 0.0015 Å |
| b | 26.168 ± 0.002 Å |
| c | 22.5135 ± 0.0019 Å |
| α | 90° |
| β | 93.339 ± 0.001° |
| γ | 90° |
| Cell volume | 9559.9 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0498 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348635.cif |
| 233207 | 2019-11-23 | cif/ Adding structures of 4348635 via cif-deposit CGI script. |
4348635.cif |
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Users of the data should acknowledge the original authors of the
structural data.