Information card for entry 2014520

Structure parameters

• Chemical name: catena-poly[[heptakis(dimethylformamide-κO)di-μ~4~-oxo-tetra-μ~3~-oxo- hexadeca-μ~2~-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-μ-sodium(I)]
• Formula: C21 H49 La Mo8 N7 Na O33
• Calculated formula: C21 H49 La Mo8 N7 Na O33
• SMILES: [La]1(O[Mo]234(=O)[O]5[Mo]67(=O)([O]89%10[Mo]%11%12(=O)([O]%13%142[Mo]2([O]%15[Mo]9(=O)(=O)([O]%122)O[Mo]8(=O)(=O)(O[Mo]5%10%14%15=O)O7)(O[Mo]%13(=O)(=O)(O%11)O4)(=O)=O)[O]36)O1)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[Na+]
• Title of publication: <i>catena</i>-Poly[[heptakis(dimethylformamide-κ<i>O</i>)di-μ~4~-oxo-tetra-μ~3~-oxo-hexadeca-μ~2~-oxo-tetraoxolanthanum(III)octamolybdenum(IV)]-μ-sodium(I)]
• Authors of publication: Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m549 - m550
• a: 9.418 ± 0.001 Å
• b: 22.4088 ± 0.001 Å
• c: 23.7508 ± 0.0013 Å
• α: 90°
• β: 92.098 ± 0.003°
• γ: 90°
• Cell volume: 5009.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No