Information card for entry 7233737

Structure parameters

• Formula: C56 H56 Mn Mo6 N6 O28
• Calculated formula: C56 H56 Mn Mo6 N6 O28
• SMILES: [Mn]12345[O]67[Mo]89([O]%105[Mo]5([O]%114[Mo]4([O]%123[Mo]3([O]2([Mo]2([O]1([Mo]6(O8)(=O)(=O)O2)CC(C%10)(C%12)NC(=O)CCN1c2ccccc2C([C@]21C=Nc1c6ccccc6ccc1O2)(C)C)(=O)(=O)O3)CC(C7)(C%11)NC(=O)CCN1c2ccccc2C([C@@]21C=Nc1c3ccccc3ccc1O2)(C)C)(=O)(=O)O4)(=O)(=O)O5)(O9)(=O)=O)(=O)=O
• Title of publication: Design and optical investigations of a spironaphthoxazine/polyoxometalate/spiropyran triad
• Authors of publication: Ali Saad; Olivier Oms; Jerome Marrot; Anne Dolbecq; Khadija Hakouk; Houda El Bekkachi; Stephane Jobic; Philippe Deniard; Remi Dessapt; Damien Garrot; Kamel Boukheddaden; Rongji Liu; Guangjin Zhang; Bineta Keita; Pierre Mialane
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 4748 - 4758
• a: 34.7751 ± 0.0015 Å
• b: 23.3403 ± 0.001 Å
• c: 33.6814 ± 0.0014 Å
• α: 90°
• β: 103.352 ± 0.002°
• γ: 90°
• Cell volume: 26599 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.296
• Weighted residual factors for all reflections included in the refinement: 0.3079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No