Information card for entry 7209678

Structure parameters

• Formula: C38 H24 Cu2 I4 N2 O8
• Calculated formula: C38 H24 Cu2 I4 N2 O8
• Title of publication: Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2
• Authors of publication: Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3160
• a: 15.23 ± 0.003 Å
• b: 22.664 ± 0.005 Å
• c: 27.692 ± 0.005 Å
• α: 90°
• β: 102.821 ± 0.01°
• γ: 90°
• Cell volume: 9320 ± 3 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 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: 0.31
• Residual factor for significantly intense reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.3537
• Weighted residual factors for all reflections included in the refinement: 0.4112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No