Information card for entry 2213391

Structure parameters

• Chemical name: catena-poly[[[hexa-μ~2~-hydroxido-hexa-μ~3~-oxido-decaoxido- chromium(III)hexamolybdenum(IV)]-μ~2~-oxido-[heptaaquaneodymium(III)]- μ~2~-oxido] tetrahydrate]
• Formula: Cr H22 Mo6 Nd O35
• Calculated formula: Cr H22 Mo6 Nd O35
• SMILES: [Nd]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[O]=[Mo]123(=O)O[Mo]45(=O)(=O)O[Mo]67(=O)(=O)O[Mo]89(=O)(=O)O[Mo]%10%11(=O)(O[Mo]%12(=O)(=O)(O1)[O]%10[Cr]([O]8%11)([O]69)([O]47)([O]25)[O]3%12)=[O][Nd]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[O]=[Mo]123(=O)O[Mo]45(=O)(=O)O[Mo]67(=O)(=O)O[Mo]89(=O)(=O)O[Mo]%10%11(=O)(O[Mo]%12(=O)(=O)(O1)[O]%10[Cr]([O]8%11)([O]69)([O]47)([O]25)[O]3%12)=[O].O.O.O.O.O.O.O.O
• Title of publication: A new chain-like polyoxometallate based on B-Anderson-type building blocks and rare earth metal ion linkers
• Authors of publication: Da-Peng Zhou; Dong Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: i113 - i115
• a: 11.8655 ± 0.001 Å
• b: 10.9961 ± 0.0009 Å
• c: 22.5449 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2941.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes