Information card for entry 1566070

Structure parameters

• 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 ų
• 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