Information card for entry 7006663

Structure parameters

• Formula: C68 H69 Co Fe2 N12 O38.5
• Calculated formula: C68 H50 Co Fe2 N12 O38.5
• Title of publication: Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.
• Authors of publication: Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 13
• Pages of publication: 1685 - 1690
• a: 11.9844 ± 0.0005 Å
• b: 20.3785 ± 0.0007 Å
• c: 15.8706 ± 0.0006 Å
• α: 90°
• β: 99.328 ± 0.002°
• γ: 90°
• Cell volume: 3824.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No