Information card for entry 2212461

Structure parameters

• Chemical name: Dichloro[tris(3-methyl-5-phenylpyrazol-1-yl)methane]copper(II) acetonitrile hemisolvate
• Formula: C32 H29.5 Cl2 Cu N6.5
• Calculated formula: C32 H29.5 Cl2 Cu N6.5
• Title of publication: Dichloro[tris(3-methyl-5-phenylpyrazol-1-yl)methane]copper(II) acetonitrile hemisolvate
• Authors of publication: He, Hong-Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m685 - m686
• a: 9.4713 ± 0.0019 Å
• b: 10.085 ± 0.002 Å
• c: 17.766 ± 0.004 Å
• α: 78.71 ± 0.03°
• β: 86 ± 0.03°
• γ: 63.05 ± 0.03°
• Cell volume: 1483.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes