Information card for entry 2241904

Structure parameters

• Chemical name: Di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] acetonitrile disolvate
• Formula: C24 H34 Cl4 Cu2 N14 O8
• Calculated formula: C20 H28 Cl4 Cu2 N12 O8
• SMILES: [Cu]1(Cl)([Cl][Cu](Cl)([Cl]1)([n]1cc(N(=O)=O)n(c1C)C)[n]1cc(N(=O)=O)n(c1C)C)([n]1cc(N(=O)=O)n(c1C)C)[n]1cc(N(=O)=O)n(c1C)C
• Title of publication: Crystal structure of di-μ-chlorido-bis[chloridobis(1,2-dimethyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)] acetonitrile disolvate
• Authors of publication: Quinlivan, Patrick J.; Upmacis, Rita K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1633 - 1636
• a: 13.9545 ± 0.0008 Å
• b: 6.7004 ± 0.0004 Å
• c: 19.5031 ± 0.0011 Å
• α: 90°
• β: 96.424 ± 0.001°
• γ: 90°
• Cell volume: 1812.1 ± 0.18 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0264
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes