Information card for entry 7013206

Structure parameters

• Formula: C34 H33 Cu Fe N6 O18.5
• Calculated formula: C34 H20 Cu Fe N6 O18.5
• Title of publication: One- and two-dimensional coordination assemblies of a novel redox-active bipyridinium dimer ligand with magnetic oxalate complexesElectronic supplementary information (ESI) available: IR and 1H NMR spectra for BpyphCl2; IR and ESR spectra for 1; IR spectrum for 2; differing chirality of [Fe(ox)3]4? in 1; different chiral subunits of 2; TGA for 1 and 2; selected bond lengths and angles for 1 and 2; O?O distances in 1 and 2. See http://www.rsc.org/suppdata/dt/b3/b305560d/
• Authors of publication: Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3634
• a: 12.0458 ± 0.0005 Å
• b: 15.2355 ± 0.0004 Å
• c: 21.0978 ± 0.0009 Å
• α: 90°
• β: 95.409 ± 0.002°
• γ: 90°
• Cell volume: 3854.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No