Information card for entry 4333644

Structure parameters

• Formula: C4 H16 Mo4 N2 O13
• Calculated formula: C4 H16 Mo4 N2 O13
• Title of publication: Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic Hybrid Organic-Inorganic Materials
• Authors of publication: Khadija Hakouk; Olivier Oms; Anne Dolbecq; Hani El Moll; Jérôme Marrot; Michel Evain; Florian Molton; Carole Duboc; Philippe Deniard; Stéphane Jobic; Pierre Mialane; Rémi Dessapt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 555 - 557
• a: 7.8352 ± 0.0005 Å
• b: 21.164 ± 0.002 Å
• c: 10.0444 ± 0.0009 Å
• α: 90°
• β: 105.157 ± 0.007°
• γ: 90°
• Cell volume: 1607.7 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for significantly intense reflections: 1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes