Information card for entry 7111283

Structure parameters

• Common name: (Mn2III/IV(dtsalpn)2DCBI)
• Formula: C79 H109 Mn2 N10 O8
• Calculated formula: C74 H101.5 Mn2 N7.5 O8
• Title of publication: Isolation of the first ferromagnetically coupled Mn(iii/iv) complexElectronic supplementary information (ESI) available: Figures S1‒S4. See http://www.rsc.org/suppdata/cc/b2/b212684m/
• Authors of publication: Rajendiran, T. M.; Kirk, Martin L.; Setyawati, Ika A.; Caudle, M. Tyler; Kampf, Jeff W.; Pecoraro, Vincent L.
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 824
• a: 16.6699 ± 0.0008 Å
• b: 21.6736 ± 0.0011 Å
• c: 24.3289 ± 0.0014 Å
• α: 90°
• β: 101.814 ± 0.002°
• γ: 90°
• Cell volume: 8603.8 ± 0.8 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• 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: 0.1226
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No