Information card for entry 7110833

Structure parameters

• Formula: C34 H54 Mn2 N4 Sb2
• Calculated formula: C34 H54 Mn2 N4 Sb2
• SMILES: C1=CC(C=C1)[Mn]12[N]3(C4CCCCC4)[Sb]4[N]1(C1CCCCC1)[Mn]1(C5C=CC=C5)[N]4(C4CCCCC4)[Sb]3[N]21C1CCCCC1
• Title of publication: The paramagnetic, heterometallic manganese cubanes [{E2(NCy)4}(MnCp)2] (Cy = C6H11, Cp = C5H5, E = As, Sb)
• Authors of publication: Bashall, Alan; McPartlin, Mary; Beswick, Michael A.; Kidd, Sara J.; Palmer, Julie S.; Raithby, Paul R.; Rawson, Jeremy M.; Wright, Dominic S.; Ehlenberg, Helmut
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 749
• a: 11.775 ± 0.002 Å
• b: 11.775 ± 0.002 Å
• c: 26.095 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3618.1 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections: 0.1256
• Weighted residual factors for significantly intense reflections: 0.0786
• Goodness-of-fit parameter for all reflections: 1.185
• Goodness-of-fit parameter for significantly intense reflections: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No