Information card for entry 2016521

Structure parameters

• Chemical name: μ~2~-Acetato-κ^2^O:O'-tris(μ~2~-ferrocenecarboxylato-κ^2^O:O')bis[(N,N-\ dimethylformamide-κO)copper(II)]
• Formula: C41 H44 Cu2 Fe3 N2 O10
• Calculated formula: C41 H44 Cu2 Fe3 N2 O10
• SMILES: [Cu]1234([Cu](OC(=[O]2)[c]25[Fe]6789%10%11%12([cH]2[cH]6[cH]7[cH]58)[cH]2[cH]9[cH]%10[cH]%11[cH]%122)(OC(=[O]4)C)(OC([c]24[Fe]56789%10%11([cH]2[cH]5[cH]6[cH]47)[cH]2[cH]8[cH]9[cH]%10[cH]%112)=[O]1)(OC([c]12[Fe]456789%10([cH]1[cH]4[cH]5[cH]26)[cH]1[cH]%10[cH]9[cH]8[cH]71)=[O]3)[O]=CN(C)C)[O]=CN(C)C
• Title of publication: μ~2~-Acetato-κ^2^<i>O</i>:<i>O</i>'-tris(μ~2~-ferrocenecarboxylato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]
• Authors of publication: Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Wang, Jin-Gen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m121 - m122
• a: 10.948 ± 0.002 Å
• b: 13.548 ± 0.003 Å
• c: 15.828 ± 0.003 Å
• α: 108.96 ± 0.03°
• β: 94.57 ± 0.03°
• γ: 110.33 ± 0.03°
• Cell volume: 2032.3 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes