Information card for entry 2240399

Structure parameters

• Chemical name: Dipotassium heptahydrogen hexamolybdochromate(III) octahydrate
• Formula: Cr H23 K2 Mo6 O32
• Calculated formula: Cr H23 K2 Mo6 O32
• SMILES: [Cr]12345[O]6[Mo]78([O]1[Mo]1([OH]2[Mo]2([O]3[Mo]3([O]4[Mo]4([OH]5[Mo]6(O4)(O8)(=O)=O)(O3)(=O)=O)(O2)(=O)=O)([OH]1)(=O)=O)(O7)(=O)=O)(=O)=O.[K+].[K+].O.O.O.O.O.O.O.O
• Title of publication: Crystal structure of the Anderson-type heteropolyoxometalate; K~2~[H~7~Cr^III^Mo~6~O~24~]·8H~2~O: a redetermination revealing the position of the extra H atom in the polyanion
• Authors of publication: Joo, Hea-Chung; Park, Ki-Min; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 157 - 160
• a: 10.4588 ± 0.0002 Å
• b: 10.8553 ± 0.0002 Å
• c: 12.6287 ± 0.0003 Å
• α: 99.296 ± 0.001°
• β: 94.469 ± 0.001°
• γ: 99.283 ± 0.001°
• Cell volume: 1388.44 ± 0.05 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes