Information card for entry 2217559

Structure parameters

• Chemical name: Diammonium bis[(2-aminoacetato-κ^2^N,O)(2,2'-bipyridine-κ^2^N,N')(N,N- dimethylformamide-κO)copper(II)] hexacosaoxidooctamolybdate(VI)
• Formula: C30 H46 Cu2 Mo8 N10 O32
• Calculated formula: C30 H46 Cu2 Mo8 N10 O32
• SMILES: c1cccc2c3cccc[n]3[Cu]3([n]12)[NH2]CC(=O)O3.N(C=O)(C)C.[NH4+].O=[Mo]123(=O)[O]4[Mo]567(=O)O[Mo]89(O[Mo]4%10(=O)(=O)[O]1[Mo]14%11([O]%1227[Mo](=O)(O3)(=O)(O1)O[Mo]1%12([O]6[Mo](=O)(=O)([O]41)(O8)[O]59%10%11)(=O)=O)=O)(=O)=O.c1cccc2c3cccc[n]3[Cu]3([n]12)[NH2]CC(=O)O3.N(C=O)(C)C.[NH4+]
• Title of publication: Diammonium bis[(2-aminoacetato-κ^2^<i>N</i>,<i>O</i>)(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)] hexacosaoxidooctamolybdate(VI)
• Authors of publication: Haiyan Liu; Yunjie Zhang; Decheng Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m305 - m306
• a: 10.222 ± 0.002 Å
• b: 10.849 ± 0.002 Å
• c: 13.02 ± 0.003 Å
• α: 81.82 ± 0.03°
• β: 69.91 ± 0.02°
• γ: 81.61 ± 0.03°
• Cell volume: 1334.9 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1102
• 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: Yes