Information card for entry 7013840

Structure parameters

• Common name: Potassium dimeric diperoxo hydrogen citrato oxomolybdenum(VI)
• Formula: C12 H23 K5 Mo2 O30
• Calculated formula: C12 H23 K5 Mo2 O30
• SMILES: C1(CC(=O)O)(C(=O)O[Mo]23(O1)(=O)(OO2)OO3)CC([O-])=O.OC(=O)CC1(C(O[Mo]23(O1)(=O)(OO2)OO3)=O)CC(=O)O.[K+].[K+].[K+].O.O.O.[K+].[K+].O.O.O
• Title of publication: Peroxomolybdate(VI)-citrate and -malate complex interconversions by pH-dependence. Synthetic, structural and spectroscopic studies.
• Authors of publication: Zhou, Zhao-Hui; Hou, Shu-Ya; Wan, Hui-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1393 - 1399
• a: 7.9131 ± 0.0005 Å
• b: 9.4755 ± 0.0006 Å
• c: 11.3561 ± 0.0007 Å
• α: 72.314 ± 0.001°
• β: 77.384 ± 0.001°
• γ: 72.276 ± 0.001°
• Cell volume: 765.26 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No