Information card for entry 7233637

Structure parameters

• Formula: C41 H47.5 Mo6 N4.5 O21
• Calculated formula: C41 H44 Mo6 N4.5 O21
• 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: 10.438 ± 0.002 Å
• b: 15.074 ± 0.003 Å
• c: 16.129 ± 0.003 Å
• α: 90°
• β: 104.513 ± 0.004°
• γ: 90°
• Cell volume: 2456.8 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0614
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No