Information card for entry 1552859

Structure parameters

• Chemical name: Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]
• Formula: C36 H38 Cl4 Cu2 N6 O2
• Calculated formula: C36 H38 Cl4 Cu2 N6 O2
• SMILES: c1c(cccc1)c1cc([nH][n]1[Cu]1([Cl][Cu]([n]2c(c3ccccc3)cc([nH]2)c2ccccc2)([O]=CN(C)C)(Cl)[Cl]1)([O]=CN(C)C)Cl)c1ccccc1
• Title of publication: Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]
• Authors of publication: Naugle, Mercedes S.; Keller, Brittany T.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: x181186
• a: 12.004 ± 0.001 Å
• b: 9.7942 ± 0.0004 Å
• c: 17.4116 ± 0.0008 Å
• α: 90°
• β: 107.633 ± 0.003°
• γ: 90°
• Cell volume: 1950.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes