Information card for entry 7111278

Structure parameters

• Formula: C80 H88 Br12 Mn8 N24 O4
• Calculated formula: C79.92 H87.84 Br12 Mn8 N24 O3.98
• Title of publication: Syntheses and magnetic properties of hexanuclear [Cp2Mn3(L1)4]2 and octanuclear [Mn8(L2)12(μ4-O)2] (L1 = 2-HNC5H5N, L2 = 2-NH-3-Br-5-MeC5H3N, Cp = C5H5)
• Authors of publication: Alvarez, Carmen Soria; Bond, Andrew D.; Cave, Dale; Mosquera, Marta E. G.; Harron, Eilís A.; Layfield, Richard A.; McPartlin, Mary; Rawson, Jeremy M.; Wood, Paul T.; Wright, Dominic S.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2980 - 2981
• a: 15.8023 ± 0.0011 Å
• b: 15.8023 ± 0.0011 Å
• c: 34.803 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7526.4 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No