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Information card for entry 7245242
Preview
| Coordinates | 7245242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H146 N2 Nb8 O40 |
|---|---|
| Calculated formula | C72 H146 N2 Nb8 O40 |
| Title of publication | Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker |
| Authors of publication | Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 8.0483 ± 0.0009 Å |
| b | 18.5558 ± 0.0019 Å |
| c | 18.624 ± 0.002 Å |
| α | 68.271 ± 0.004° |
| β | 81.253 ± 0.005° |
| γ | 84.084 ± 0.005° |
| Cell volume | 2550.4 ± 0.5 Å3 |
| Cell temperature | 100.01 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1614 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277046 (current) | 2022-08-03 | cif/ Adding structures of 7245241, 7245242, 7245243 via cif-deposit CGI script. |
7245242.cif |
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