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Information card for entry 4349531
Preview
| Coordinates | 4349531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H106 N2 O27 V6 |
|---|---|
| Calculated formula | C58 H106 N2 O27 V6 |
| Title of publication | Synthesis, crystal structure and spectroscopic studies of a series of hexavanadate hybrids with multiple functional groups |
| Authors of publication | Huang, Bo; Xiao, Zicheng; Wu, Baolin; Hu, Xiaokang; Hu, Xunliang; Wu, Pingfan; Wei, Yongge |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 165 |
| a | 11.5756 ± 0.0003 Å |
| b | 15.326 ± 0.0004 Å |
| c | 20.1152 ± 0.0005 Å |
| α | 90° |
| β | 101.354 ± 0.002° |
| γ | 90° |
| Cell volume | 3498.75 ± 0.16 Å3 |
| Cell temperature | 104.1 K |
| Ambient diffraction temperature | 104.1 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 | 0.0759 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4349531.cif |
| 234860 | 2019-11-23 | cif/ Adding structures of 4349531, 4349532, 4349533 via cif-deposit CGI script. |
4349531.cif |
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Users of the data should acknowledge the original authors of the
structural data.