Information card for entry 4326207

Structure parameters

• Formula: C12 H40 Fe Mo6 N4 O28
• Calculated formula: C12 H40 Fe Mo6 N4 O28
• SMILES: C1CN2CC[NH+]1CC2.[OH]12[Fe]3456[OH]7[Mo]89([OH]6[Mo]6([OH]4[Mo]2(=O)(O[Mo]21(O[Mo]1([OH]3[Mo]7(O1)(=O)(O9)=O)([OH]52)(=O)=O)(=O)=O)(O6)=O)(O8)(=O)=O)(=O)=O.O.O.C1CN2CC[NH+]1CC2.O.O
• Title of publication: Smart Heterostructures for Tailoring the Optical Properties of Photochromic Hybrid Organic-Inorganic Polyoxometalates
• Authors of publication: Rémi Dessapt; Marie Gabard; Martine Bujoli-Doeuff; Philippe Deniard; Stéphane Jobic
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8790 - 8796
• a: 8.1557 ± 0.0004 Å
• b: 9.4304 ± 0.0012 Å
• c: 11.6154 ± 0.0012 Å
• α: 76.731 ± 0.009°
• β: 83.603 ± 0.007°
• γ: 84.95 ± 0.007°
• Cell volume: 862.29 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for significantly intense reflections: 1.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes