Information card for entry 4328352

Structure parameters

• Formula: C10 H53.5 Cs1.25 K Mo6 N5.75 O39.25 P4
• Calculated formula: C10 H22 Cs1.25 K Mo6 N2 O43 P4
• 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: 18.8861 ± 0.0004 Å
• b: 17.0627 ± 0.0004 Å
• c: 31.6438 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10197.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No