Information card for entry 2211886

Structure parameters

• Chemical name: Bis(dicyanamido-κN^1^)bis[4-(1,2,4-triazol-1-yl)phenol-κN^4^]copper(II)
• Formula: C20 H14 Cu N12 O2
• Calculated formula: C20 H14 Cu N12 O2
• SMILES: c1nn(c[n]1[Cu](N=C=NC#N)([n]1cnn(c1)c1ccc(cc1)O)N=C=NC#N)c1ccc(cc1)O
• Title of publication: Bis(dicyanamido-κ<i>N</i>^1^)bis[4-(1,2,4-triazol-1-yl)phenol-κ<i>N</i>^4^]copper(II)
• Authors of publication: Fang Jia; Jian Li; Xiu-Guang Wang; Xiao-Jun Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m31 - m33
• a: 12.9515 ± 0.0017 Å
• b: 7.696 ± 0.001 Å
• c: 10.3232 ± 0.0014 Å
• α: 90°
• β: 95.548 ± 0.002°
• γ: 90°
• Cell volume: 1024.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes