Information card for entry 2217902

Structure parameters

• Chemical name: catena-Poly[[chloridocopper(II)]bis(μ-3,3',5,5'-tetramethyl-4,4'- methylenedipyrazole)[chloridocopper(II)]-di-μ-chlorido]
• Formula: C22 H32 Cl4 Cu2 N8
• Calculated formula: C22 H32 Cl4 Cu2 N8
• SMILES: [Cu]12(Cl)([Cl][Cu](Cl)([Cl]1)([n]1[nH]c(C)c(c1C)Cc1c(C)n[nH]c1C)[n]1[nH]c(C)c(c1C)Cc1c(C)n[nH]c1C)[n]1[nH]c(C)c(c1C)Cc1c(C)[n]([nH]c1C)[Cu]1(Cl)([Cl][Cu](Cl)[Cl]1)[n]1[nH]c(c(c1C)Cc1c([n]2[nH]c1C)C)C
• Title of publication: <i>catena</i>-Poly[[chloridocopper(II)]bis(μ-3,3',5,5'-tetramethyl-4,4'-methylenedipyrazole)[chloridocopper(II)]-di-μ-chlorido]
• Authors of publication: Wang, Zhi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m561
• a: 8.759 ± 0.003 Å
• b: 8.879 ± 0.003 Å
• c: 9.735 ± 0.003 Å
• α: 79.269 ± 0.006°
• β: 63.584 ± 0.005°
• γ: 86.922 ± 0.005°
• Cell volume: 665.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0881
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes