Information card for entry 2240956

Structure parameters

• Chemical name: <i>catena</i>-Poly[hemi(1,3-bis(2,6-diisopropyl)imidazolium) [[μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>'- tri-μ~2~-acetato-κ^6^<i>O</i>:<i>O</i>'-dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-μ-chlorido] dichloromethane sesquisolvate]
• Formula: C46 H67 Cl7 Cu4 N2 O16
• Calculated formula: C46 H67 Cl7 Cu4 N2 O16
• Title of publication: Crystal structure of <i>catena</i>-poly[hemi[1,3-bis(2,6-diisopropyl)imidazolium] [[μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>'-tri-μ~2~-acetato-κ^6^<i>O</i>:<i>O</i>'-dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-μ-chlorido] dichloromethane sesquisolvate]
• Authors of publication: Iqbal, Mohammad; Raftery, James; Quayle, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: m148 - m149
• a: 22.097 ± 0.002 Å
• b: 13.146 ± 0.002 Å
• c: 23.607 ± 0.003 Å
• α: 90°
• β: 117.122 ± 0.004°
• γ: 90°
• Cell volume: 6103.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0839
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes