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Information card for entry 7228499
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| Coordinates | 7228499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Functionalized Hexavanadate |
|---|---|
| Formula | C48 H98 N2 O23 V6 |
| Calculated formula | C48 H98 N2 O22.5 V6 |
| Title of publication | Experimental Evidence of Charge Transfer in a Functionalized Hexavanadate. A High Resolution X-ray Diffraction Study |
| Authors of publication | XU, Xiao; Spasojevic - de Biré, Anne; Ghermani, Nour Eddine; Wei, Yongge; Novakovic, Sladjana B.; Bosnjakovic-Pavlovic, Nada; Wu, Pingfan |
| Journal of publication | Phys. Chem. Chem. Phys. |
| Year of publication | 2017 |
| a | 10.866 ± 0.005 Å |
| b | 14.776 ± 0.005 Å |
| c | 19.636 ± 0.005 Å |
| α | 90° |
| β | 97.766 ± 0.005° |
| γ | 90° |
| Cell volume | 3124 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0199 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0197 |
| Weighted residual factors for all reflections included in the refinement | 0.0197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.743 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197882 (current) | 2017-06-16 | cif/ Adding structures of 7228499 via cif-deposit CGI script. |
7228499.cif |
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Users of the data should acknowledge the original authors of the
structural data.