Information card for entry 2200585

Structure parameters

• Formula: Co H20 K3 Mo6 O31
• Calculated formula: Co K3 Mo6 O31
• SMILES: [Co]12345[O]6[Mo]78(O[Mo]9([O]4[Mo]4([O]3[Mo]3([O]2[Mo]2([O]1[Mo]6(O7)(O2)(=O)=O)(=O)(=O)O3)(O4)(=O)=O)(O9)(=O)=O)([O]58)(=O)=O)(=O)=O.[K+].[K+].[K+].O.O.O.O.O.O.O
• Title of publication: Tripotassium hexahydrogen hexamolybdocobaltate(III) heptahydrate, K~3~[H~6~CoMo~6~O~24~]·7H~2~O
• Authors of publication: Lee, Uk; Joo, Hea-Chung; Kwon, Jae-Sam; Cho, Mi-Ae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: i112 - i114
• a: 22.461 ± 0.004 Å
• b: 11.295 ± 0.002 Å
• c: 11.394 ± 0.002 Å
• α: 90°
• β: 94.557 ± 0.009°
• γ: 90°
• Cell volume: 2881.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes