Information card for entry 7233636

Structure parameters

• Formula: C44 H69 Al Mo6 N4 O30
• Calculated formula: C44 H56 Al Mo6 N4 O30
• 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: 7.8567 ± 0.0005 Å
• b: 13.9952 ± 0.0009 Å
• c: 14.8673 ± 0.001 Å
• α: 107.733 ± 0.004°
• β: 91.033 ± 0.004°
• γ: 104.028 ± 0.003°
• Cell volume: 1503.16 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No