Information card for entry 2210406

Structure parameters

• Chemical name: poly[[hexa-μ~2~hydroxo-hexa-μ~3~oxo-undecaoxochromiumhexamolybdenum]- μ-oxo-[tetra-μ~2~-aqua-hexaaqua-trisodium]-μ-aqua]
• Formula: Cr H32 Mo6 Na3 O37
• Calculated formula: Cr H26 Mo6 Na3 O37
• SMILES: [Na]1([OH2])([OH2])[OH2][Na]2([OH2]1)([OH2])([OH2])[OH2][Na]([OH2]2)([OH2])([OH2])[OH2].[Cr]12345[O]6[Mo]78(=O)(=O)O[Mo]9(=O)(=O)(O[Mo]%10(=O)(=O)(O[Mo]%11(=O)(=O)(O[Mo]%12(=O)(=O)(O[Mo]6(=O)(=O)(O7)[O]1%12)[O]2%11)[O]3%10)[O]49)[O]58.O.O
• Title of publication: [Na~3~(H~2~O)~11~][CrMo~6~O~24~H~6~]·2H~2~O, with an Anderson B-type heteropolyoxoanion
• Authors of publication: Yu, Li; Li, Su-Zhi; Wang, Jing-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: i190 - i192
• a: 10.968 ± 0.002 Å
• b: 11.686 ± 0.002 Å
• c: 14.895 ± 0.003 Å
• α: 72.1 ± 0.03°
• β: 70.99 ± 0.03°
• γ: 66.9 ± 0.03°
• Cell volume: 1624.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes