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Information card for entry 2021260
Preview
| Coordinates | 2021260.cif |
|---|---|
| Structure factors | 2021260.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Heptaammonium nitratotetradecavanadate dimethyl sulfoxide hexasolvate |
|---|---|
| Formula | C12 H64 N8 O47 S6 V14 |
| Calculated formula | C12 H64 N8 O47 S6 V14 |
| Title of publication | Synthesis and structural characterization of tube-type tetradecavanadates |
| Authors of publication | Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| a | 19.3923 ± 0.0007 Å |
| b | 24.9031 ± 0.0009 Å |
| c | 14.5785 ± 0.0005 Å |
| α | 90° |
| β | 116.374 ± 0.001° |
| γ | 90° |
| Cell volume | 6307.6 ± 0.4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021260.cif 2021260.hkl |
| 211521 | 2018-10-18 | cif/ hkl/ Adding structures of 2021257, 2021258, 2021259, 2021260 via cif-deposit CGI script. |
2021260.cif 2021260.hkl |
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Users of the data should acknowledge the original authors of the
structural data.