Information card for entry 7021291

Structure parameters

• Common name: Mn2TBC8PhSao
• Formula: C123 H169 Mn2 N8 O18
• Calculated formula: C120 H162 Mn2 N7 O17
• Title of publication: Complementary ligands direct the formation of a calix[8]arene-supported ferromagnetic Mn(IV)Mn(III) dimer.
• Authors of publication: McLellan, Ross; Taylor, Stephanie M.; McIntosh, Ruaraidh D.; Brechin, Euan K.; Dalgarno, Scott J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6697 - 6700
• a: 16.3209 ± 0.0008 Å
• b: 19.314 ± 0.001 Å
• c: 21.1033 ± 0.001 Å
• α: 79.558 ± 0.002°
• β: 68.96 ± 0.002°
• γ: 70.483 ± 0.002°
• Cell volume: 5837.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No