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Information card for entry 7243287
Preview
| Coordinates | 7243287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate |
|---|---|
| Formula | C56 H74 Mo12 N14 O60 |
| Calculated formula | C56 H74 Mo12 N14 O60 |
| Title of publication | Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study |
| Authors of publication | Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 36 |
| Pages of publication | 6349 - 6358 |
| a | 9.4085 ± 0.0004 Å |
| b | 16.2433 ± 0.0005 Å |
| c | 17.3878 ± 0.0004 Å |
| α | 116.276 ± 0.003° |
| β | 95.232 ± 0.003° |
| γ | 93.035 ± 0.003° |
| Cell volume | 2359.8 ± 0.15 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 170.15 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 | 0.0536 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269676 (current) | 2021-10-06 | cif/ Updating files of 7243285, 7243286, 7243287, 7243288, 7243289, 7243290, 7243291, 7243292, 7243293, 7243294 Original log message: Adding full bibliography for 7243285--7243294.cif. |
7243287.cif |
| 267820 | 2021-07-30 | cif/ Adding structures of 7243285, 7243286, 7243287, 7243288, 7243289, 7243290, 7243291, 7243292, 7243293, 7243294 via cif-deposit CGI script. |
7243287.cif |
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Users of the data should acknowledge the original authors of the
structural data.