Information card for entry 7208236

Structure parameters

• Formula: C22 H34 Cl2 Cu2 N8 O10
• Calculated formula: C22 H34 Cl2 Cu2 N8 O10
• SMILES: [Cu]1([n]2c(cc(C)n2C[O]1[Cu]12([n]3c(cc(C)[nH]3)C)OCl(=O)(=O)=O)C)([O]1Cn1c(cc(C)[n]21)C)(OCl(=O)(=O)=O)[n]1c(cc(C)[nH]1)C
• Title of publication: σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core
• Authors of publication: Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 4972
• a: 8.915 ± 0.0005 Å
• b: 18.9641 ± 0.0014 Å
• c: 9.7505 ± 0.0005 Å
• α: 90°
• β: 112.112 ± 0.006°
• γ: 90°
• Cell volume: 1527.22 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No