Information card for entry 2241247

Structure parameters

• Chemical name: Pentamorpholinium hexahydrogen hexamolybdoferrate(III) sulfate 3.5-hydrate
• Formula: C20 H63 Fe Mo6 N5 O36.5 S
• Calculated formula: C20 H63 Fe Mo6 N5 O36.5 S
• Title of publication: Crystal structure of an organic‒inorganic hybrid compound based on morpholinium cations and a β-type Anderson polyanion
• Authors of publication: Lukianova, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1345 - 1348
• a: 8.9 ± 0.003 Å
• b: 13.143 ± 0.004 Å
• c: 20.778 ± 0.006 Å
• α: 84.92 ± 0.03°
• β: 85.37 ± 0.03°
• γ: 83.7 ± 0.03°
• Cell volume: 2400.1 ± 1.3 ų
• Cell temperature: 99.98 ± 0.18 K
• Ambient diffraction temperature: 99.98 ± 0.18 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes