Information card for entry 7233634

Structure parameters

• Formula: C84 H104 Mo8 N8 O32 S2
• Calculated formula: C84 H92 Mo8 N8 O32 S2
• Title of publication: New photoresponsive charge-transfer spiropyran/polyoxometalate assemblies with highly tunable optical properties
• Authors of publication: Khadija Hakouk; Olivier Oms; Anne Dolbecq; Jerome Marrot; Ali Saad; Pierre Mialane; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 1628 - 1641
• a: 11.547 ± 0.004 Å
• b: 12.049 ± 0.004 Å
• c: 18.237 ± 0.006 Å
• α: 108.644 ± 0.007°
• β: 96.689 ± 0.008°
• γ: 90.338 ± 0.007°
• Cell volume: 2385.3 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No