Information card for entry 1566069

Structure parameters

• Chemical name: Potassium [poly-bis(η2-peroxido)oxido-μ-(1-oxo-κO-pyridine-4-carboxylate-κO)]molybdate(VI) hydrate
• Formula: C6 H4 K Mo N O9
• Calculated formula: C6 H4 K Mo N O9
• 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: 9.2477 ± 0.0003 Å
• b: 19.5475 ± 0.0005 Å
• c: 6.9631 ± 0.0002 Å
• α: 90°
• β: 111.311 ± 0.003°
• γ: 90°
• Cell volume: 1172.65 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.0782
• Goodness-of-fit parameter for all reflections: 3.59
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No