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Information card for entry 7710175
Preview
| Coordinates | 7710175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H58 N9 O53 P V14 |
|---|---|
| Calculated formula | C12 H54 N9 O53 P V14 |
| Title of publication | New phosphotetradecavanadate hybrids: crystal structure, DFT analysis, stability and binding interactions with bio-macromolecules |
| Authors of publication | Zarroug, Rim; Artetxe, Beñat; Ayed, Brahim; López, Xavier; Ribeiro, Nádia; Correia, Isabel; Pessoa, João Costa |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 11.1991 ± 0.0008 Å |
| b | 11.4892 ± 0.0009 Å |
| c | 13.4138 ± 0.0014 Å |
| α | 67.429 ± 0.008° |
| β | 66.782 ± 0.008° |
| γ | 85.757 ± 0.006° |
| Cell volume | 1458.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1227 |
| Residual factor for significantly intense reflections | 0.0773 |
| Weighted residual factors for significantly intense reflections | 0.1912 |
| Weighted residual factors for all reflections included in the refinement | 0.2335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274858 (current) | 2022-05-04 | cif/ Adding structures of 7710175, 7710176 via cif-deposit CGI script. |
7710175.cif |
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Users of the data should acknowledge the original authors of the
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