Information card for entry 7013513

Structure parameters

• Formula: C2 H69 K6 Mo12 N14 O64.5 S28
• Calculated formula: C2 K6 Mo12 N14 O64.5 S28
• Title of publication: A novel polyoxo(thio)molybdenum(V) sulfite compound: Synthesis and crystal structure of {[Mo2V(�-S)2O2]6(�3-SO3)4(�-SO3)12}20? anion
• Authors of publication: Miras, Haralampos N.; Derek Woollins, J.; Slawin, Alexandra M.; Raptis, Raphael; Baran, Peter; Kabanos, Themistoklis A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3668
• a: 30.26 ± 0.004 Å
• b: 23.199 ± 0.003 Å
• c: 16.6631 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11698 ± 3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No