Information card for entry 4328354

Structure parameters

• Formula: C10 H22 Mo6 N2 O48 P4
• Calculated formula: C10 H22 Mo6 N2 O48 P4
• SMILES: [Mo]12(O[P@]3(=O)[O]4[Mo]5(O[Mo]64(=O)([O]5[P@](=O)(O1)C3(O6)CCCC[NH3+])=O)(O2)(=O)=O)(=O)(O[Mo]12(O[P@]3(=O)[O]4[Mo]5(O[Mo]64(OC3([P@@](=O)(O1)[O]56)CCCC[NH3+])(=O)=O)(=O)(O2)=O)(=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Tuning the Photochromic Properties of Molybdenum Bisphosphonate Polyoxometalates
• Authors of publication: Hani El Moll; Anne Dolbecq; Israël Martyr Mbomekalle; Jérôme Marrot; Philippe Deniard; Rémi Dessapt; Pierre Mialane
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2291 - 2302
• a: 14.969 ± 0.002 Å
• b: 9.0746 ± 0.0012 Å
• c: 19.82 ± 0.003 Å
• α: 90°
• β: 107.679 ± 0.002°
• γ: 90°
• Cell volume: 2565.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No