Information card for entry 1543613

Structure parameters

• Formula: C13 H34 Cu2 N26 O2
• Calculated formula: C13 H34 Cu2 N26 O2
• SMILES: [Cu]12([NH2]CCC[NH2]1)[NH2]CCC[NH2]2.[Cu]1(n2c(nnn2)/N=N/c2[n]nnn2)([NH2]CCC[NH2]1)n1c(nnn1)/N=N/c1[n]nnn1.O.O
• Title of publication: Chlorine anion-pi and pi‒pi- interactions in two tetrazolyl derivative based Cu2+ complexes and quantum chemical calculations
• Authors of publication: Nan Li; Wen-Bin Chen; Yang-Fan Guan; Zhen-Jie OuYang; Wen Dong
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 349 - 352
• a: 25.6175 ± 0.0004 Å
• b: 8.1931 ± 0.0001 Å
• c: 13.6443 ± 0.0003 Å
• α: 90°
• β: 98.522 ± 0.001°
• γ: 90°
• Cell volume: 2832.14 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No