Information card for entry 7052310

Structure parameters

• Formula: C12 H30 Cl2 Cu N6 O8
• Calculated formula: C12 H30 Cl2 Cu N6 O8
• SMILES: C1[NH]2[Cu]34[NH]([C@@H](C)C[NH]4CN(C[NH]3[C@@H]1C)C)CN(C)C2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Heterometallic trinuclear CuIIMIII2 (M = Fe or Cr) complexes with novel bridges and unusual magnetic properties
• Authors of publication: Zhang, Bing; Ni, Zhong-Hai; Cui, Ai-Li; Kou, Hui-Zhong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 1327
• a: 8.8437 ± 0.0012 Å
• b: 8.7562 ± 0.0011 Å
• c: 13.5885 ± 0.0018 Å
• α: 90°
• β: 102.355 ± 0.003°
• γ: 90°
• Cell volume: 1027.9 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No