Information card for entry 2211381

Structure parameters

• Chemical name: Dichlorotetrakis(1H-pyrazole-κN^2^)copper(II)
• Formula: C12 H16 Cl2 Cu N8
• Calculated formula: C12 H16 Cl2 Cu N8
• SMILES: c1cc[nH][n]1[Cu]([n]1ccc[nH]1)(Cl)([n]1ccc[nH]1)([n]1ccc[nH]1)Cl
• Title of publication: Dichlorotetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)
• Authors of publication: Han, Jing; Zhang, Bao-Li; Zhang, Xing-Jing; Zhang, Yuan-Hong; Zhou, Guang-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3354 - m3356
• a: 13.674 ± 0.008 Å
• b: 9.172 ± 0.005 Å
• c: 14.75 ± 0.008 Å
• α: 90°
• β: 116.852 ± 0.009°
• γ: 90°
• Cell volume: 1650.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes