Information card for entry 2203896

Structure parameters

• Chemical name: Tetrapotassium bis(glycine)hexacosaoxooctamolybdenum(VI) hexahydrate
• Formula: C4 H22 K4 Mo8 N2 O36
• Calculated formula: C4 H10 K4 Mo8 N2 O36
• SMILES: [K+].[K+].O=[Mo]1234[O]56[Mo]78(O[Mo]95([O]3[Mo]3(O[Mo]5([O]%101[Mo]16([O]7[Mo](O8)([O]1[Mo]%10(O5)(O4)(=O)=O)(OC(=O)C[NH3+])(=O)=O)(=O)O9)([O]23)(=O)=O)(OC(=O)C[NH3+])(=O)=O)(=O)=O)(=O)=O.[K+].O.O.O.[K+].O.O.O
• Title of publication: A polyoxomolybdate coordinated by glycine ligands: K~4~[Mo~8~O~26~(NH~3~CH~2~COO)~2~]·6H~2~O
• Authors of publication: Xiao-Yuan Wu; Jiu-Hui Liu; Quan-Zheng Zhang; Xiang He; Shu-Mei Chen; Can-Zhong Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m921 - m923
• a: 8.1065 ± 0.0003 Å
• b: 9.8767 ± 0.0002 Å
• c: 12.4936 ± 0.0005 Å
• α: 98.638 ± 0.002°
• β: 99.295 ± 0.002°
• γ: 113.606 ± 0.001°
• Cell volume: 878.66 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes