Information card for entry 1519012

Structure parameters

• Formula: C12 H18 K6 Mo2 O24
• Calculated formula: C12 K6 Mo2 O24
• SMILES: [Mo]12(OC(=O)CC(O2)(CC(=O)[O-])C(=O)O1)(O[Mo]12(OC(=O)CC(O2)(CC([O-])=O)C(=O)O1)(=O)=O)(=O)=O.O.O.O.O.O.[K+].[K+].[K+].[K+].[K+].[K+]
• Title of publication: Mobybdenum(VI)-oxygen complex containing citrage ligand: synthesis and characterization of K6[Mo205(cit)2].5H20
• Authors of publication: Zhou, X.-H.; Xing, Y.-H.; Xu, J.-Q.; Li, D.-M.; Wang, R.-Z.; Liu, S.-Q.; Zeng, Q.-X.; Huang, X.-Y.
• Journal of publication: Solid State Sciences
• Year of publication: 1999
• Journal volume: 1
• Pages of publication: 189 - 198
• a: 11.843 ± 0.008 Å
• b: 13.717 ± 0.008 Å
• c: 10.287 ± 0.005 Å
• α: 108.11 ± 0.04°
• β: 99.42 ± 0.05°
• γ: 66.52 ± 0.04°
• Cell volume: 1455.3 ± 1.6 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No