Information card for entry 7209679

Structure parameters

• Formula: C66 H56 Cu2 I4 N4 O10
• Calculated formula: C66 H56 Cu2 I4 N4 O10
• 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: 8.2079 ± 0.0019 Å
• b: 16.029 ± 0.004 Å
• c: 24.699 ± 0.006 Å
• α: 102.764 ± 0.017°
• β: 98.004 ± 0.016°
• γ: 101.353 ± 0.014°
• Cell volume: 3049.9 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.231
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2654
• Weighted residual factors for all reflections included in the refinement: 0.3417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No