Information card for entry 7044741

Structure parameters

• Formula: C12 H11.5 K1.5 Mo2 O11.5 P2
• Calculated formula: C12 H10 K1.52 Mo2 O11.48 P2
• Title of publication: Syntheses and characterization of phosphonates and diphosphonates of molybdenum, A4[(MoO3)5(O3PR)2]·xH2O, A2[Mo2O5(O3PR)2] and A2[Mo2O5(O3P-R-PO3)] (A = K, Rb, Cs, Tl, NH4)
• Authors of publication: Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 9.51 ± 0.0007 Å
• b: 9.9726 ± 0.0009 Å
• c: 20.4436 ± 0.0018 Å
• α: 82.953 ± 0.004°
• β: 83.859 ± 0.004°
• γ: 89.931 ± 0.004°
• Cell volume: 1913 ± 0.3 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: 0.1082
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No