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Information card for entry 7123978
Preview
| Coordinates | 7123978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C168 H276 Cl4 N30 Nb4 O180 S7 V40 |
|---|---|
| Calculated formula | C108 H36 Cl4 Nb4 O188 S7 V40 |
| Title of publication | Two polyoxovanadate-based metal-organic polyhedra with undiscovered “Near-miss Johnson Solid” geometry† |
| Authors of publication | Gong, Yaru; Tao, Yanli; Xu, Na; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 21.854 ± 0.003 Å |
| b | 21.854 ± 0.003 Å |
| c | 44.273 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 21145 ± 5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 8 |
| Space group number | 121 |
| Hermann-Mauguin space group symbol | I -4 2 m |
| Hall space group symbol | I -4 2 |
| Residual factor for all reflections | 0.0957 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1754 |
| Weighted residual factors for all reflections included in the refinement | 0.1979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217497 (current) | 2019-08-13 | cif/ Adding structures of 7123978, 7123979 via cif-deposit CGI script. |
7123978.cif |
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Users of the data should acknowledge the original authors of the
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