Information card for entry 2215767

Structure parameters

• Chemical name: Dichlorido[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]copper(II)
• Formula: C11 H16 Cl2 Cu N4
• Calculated formula: C11 H16 Cl2 Cu N4
• SMILES: [Cu]1(Cl)(Cl)[n]2n(Cn3[n]1c(cc3C)C)c(cc2C)C
• Title of publication: Dichlorido[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane]copper(II)
• Authors of publication: Malinowska, Katarzyna; Modranka, Roman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2782 - m2782
• a: 14.812 ± 0.0007 Å
• b: 16.7384 ± 0.0009 Å
• c: 12.4943 ± 0.0006 Å
• α: 90°
• β: 113.58 ± 0.01°
• γ: 90°
• Cell volume: 2839.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes