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Information card for entry 7245243
Preview
| Coordinates | 7245243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H78 N2 Nb4 O20 |
|---|---|
| Calculated formula | C42 H78 N2 Nb4 O20 |
| 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 | 15.3902 ± 0.0012 Å |
| b | 20.0542 ± 0.0014 Å |
| c | 17.528 ± 0.0013 Å |
| α | 90° |
| β | 90.114 ± 0.003° |
| γ | 90° |
| Cell volume | 5409.8 ± 0.7 Å3 |
| Cell temperature | 100.01 K |
| Ambient diffraction temperature | 100.01 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
7245243.cif |
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