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Information card for entry 1561005
Preview
| Coordinates | 1561005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H99 N3 O19 V6 |
|---|---|
| Calculated formula | C46 H99 N3 O19 V6 |
| Title of publication | Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters. |
| Authors of publication | Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M. |
| Journal of publication | Nanoscale |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 6162 - 6173 |
| a | 18.13612 ± 0.00016 Å |
| b | 16.90558 ± 0.00016 Å |
| c | 19.59064 ± 0.00019 Å |
| α | 90° |
| β | 100.831 ± 0.0009° |
| γ | 90° |
| Cell volume | 5899.52 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.11 K |
| Ambient diffraction temperature | 100 ± 0.11 K |
| Number of distinct elements | 5 |
| 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1561005.cif |
| 263801 | 2021-04-05 | cif/ Updating files of 1561002, 1561003, 1561004, 1561005 Original log message: Adding full bibliography for 1561002--1561005.cif. |
1561005.cif |
| 263005 | 2021-03-12 | cif/ Adding structures of 1561002, 1561003, 1561004, 1561005 via cif-deposit CGI script. |
1561005.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.