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Information card for entry 2022596
Preview
| Coordinates | 2022596.cif |
|---|---|
| Structure factors | 2022596.hkl |
| Original IUCr paper | HTML |
| Formula | C24 H588 Ce6 Mo124 N4 Na4 O664 |
|---|---|
| Calculated formula | C24 H16 Ce6 Mo124 N4 Na4 O501 |
| Title of publication | Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na~4~[Mo~2~O~2~(OH)~4~(C~6~H~4~NO~2~)~2~]~2~[Mo~120~Ce~6~O~366~H~12~(OH)~2~(H~2~O)~76~]∼ 200H~2~O |
| Authors of publication | Al-Sayed, Emir; Tanuhadi, Elias; Giester, Gerald; Rompel, Annette |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 5 |
| a | 54.272 ± 0.01 Å |
| b | 38.896 ± 0.007 Å |
| c | 31.734 ± 0.006 Å |
| α | 90° |
| β | 112.145 ± 0.004° |
| γ | 90° |
| Cell volume | 62048 ± 2 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 7 |
| 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 | 0.1184 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.2004 |
| Weighted residual factors for all reflections included in the refinement | 0.2335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274620 (current) | 2022-04-21 | cif/ hkl/ Adding structures of 2022596 via cif-deposit CGI script. |
2022596.cif 2022596.hkl |
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Users of the data should acknowledge the original authors of the
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