Information card for entry 2208941

Structure parameters

• Chemical name: μ-Oxalato-bis[(N,N'-dimethylformamide)(1,10-phenanthroline)copper(II)] bis(perchlorate)
• Formula: C32 H30 Cl2 Cu2 N6 O14
• Calculated formula: C32 H30 Cl2 Cu2 N6 O14
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14([O]=CN(C)C)[O]=C2C(O1)=[O][Cu]1([n]3cccc4ccc5ccc[n]1c5c34)([O]=CN(C)C)O2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: μ-Oxalato-bis[(<i>N</i>,<i>N</i>'-dimethylformamide)(1,10-phenanthroline)copper(II)] bis(perchlorate)
• Authors of publication: Wang, Hai-Dong; Zhou, Yi-Li; He, Hong-Yin; Tu, Xiao-Hua; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1081 - m1082
• a: 8.3567 ± 0.0011 Å
• b: 9.2013 ± 0.0012 Å
• c: 11.7229 ± 0.0015 Å
• α: 84.321 ± 0.017°
• β: 86.979 ± 0.017°
• γ: 81.809 ± 0.017°
• Cell volume: 887.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1161
• 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: No