Information card for entry 2227634

Structure parameters

• Chemical name: Tetraimidazolium hexa-μ~4~-oxido-dodeca-μ~2~-oxido- dodecaoxidohexaarsenate(III)hexamolybdenum(VI)cuprate(II)
• Formula: C12 H20 As6 Cu Mo6 N8 O30
• Calculated formula: C12 H20 As6 Cu Mo6 N8 O30
• SMILES: c1[nH]cc[nH+]1.c1c[nH+]c[nH]1.O=[Mo]123(O[Mo]45(=O)([O]61[As]1O[As]7[O]89[Cu]%10%11%126[O]65[As]5O[As]%13[O]3%10[Mo]9(O2)(O[Mo]28(O[Mo]3(O[Mo]6(O4)(=O)(=O)[O]%113[As](O7)O1)(=O)(=O)[O]%122[As](O5)O%13)(=O)=O)(=O)=O)=O)=O.c1[nH]cc[nH+]1.c1c[nH+]c[nH]1
• Title of publication: Tetraimidazolium hexa-μ~4~-oxido-dodeca-μ~2~-oxido-dodecaoxidohexaarsenate(III)hexamolybdenum(VI)cuprate(II)
• Authors of publication: Liu, Meiduo; Su, Zhanhua; Shang, Yongchen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1308
• a: 10.5696 ± 0.0007 Å
• b: 19.2842 ± 0.0012 Å
• c: 10.4678 ± 0.0007 Å
• α: 90°
• β: 106.747 ± 0.001°
• γ: 90°
• Cell volume: 2043.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes