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Information card for entry 1566070
Preview
| Coordinates | 1566070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Diammonium [tetrakis(η2-peroxido)dioxido-bis{μ-(1-oxo-κO-pyridine-4-carboxylate-κO)}dimolybdate(VI) dihydrate |
|---|---|
| Formula | C12 H20 Mo2 N4 O18 |
| Calculated formula | C12 H20 Mo2 N4 O18 |
| SMILES | C1(=O)O[Mo]23(OO3)(OO2)(=O)[O]=n2ccc(C(O[Mo]34(OO4)(OO3)(=O)[O]=n3ccc1cc3)=O)cc2.[NH4+].O.[NH4+].O |
| Title of publication | Synthesis, crystal structure and selected properties of two new peroxidomolybdates |
| Authors of publication | Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław |
| Journal of publication | Polyhedron |
| Year of publication | 2020 |
| Journal volume | 183 |
| Pages of publication | 114530 |
| a | 6.5619 ± 0.0003 Å |
| b | 7.1063 ± 0.0003 Å |
| c | 12.0469 ± 0.0004 Å |
| α | 91.517 ± 0.003° |
| β | 96.093 ± 0.003° |
| γ | 104.61 ± 0.004° |
| Cell volume | 539.69 ± 0.04 Å3 |
| Cell temperature | 131 ± 2 K |
| Ambient diffraction temperature | 131 ± 2 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 | 0.0361 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272159 (current) | 2022-01-20 | cif/ Adding structures of 1566069, 1566070 via cif-deposit CGI script. |
1566070.cif |
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Users of the data should acknowledge the original authors of the
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