Information card for entry 7111282

Structure parameters

• Formula: C99 H130 Mn2 N6 O8
• Calculated formula: C99 H130 Mn2 N6 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: 13.13 ± 0.0014 Å
• b: 35.455 ± 0.003 Å
• c: 20.564 ± 0.002 Å
• α: 90°
• β: 100.856 ± 0.008°
• γ: 90°
• Cell volume: 9401.7 ± 1.6 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No