Information card for entry 7014919

Structure parameters

• Formula: C98.55 H85.82 Mn6 N13.27 O18
• Calculated formula: C98.548 H85.822 Mn6 N13.274 O18
• Title of publication: Hexametallic manganese clusters with bulky derivatised salicylaldoximes.
• Authors of publication: Kotzabasaki, Vasiliki; Inglis, Ross; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1693 - 1699
• a: 15.608 ± 0.006 Å
• b: 19.1 ± 0.009 Å
• c: 16.182 ± 0.004 Å
• α: 90°
• β: 103.07 ± 0.04°
• γ: 90°
• Cell volume: 4699 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1705
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No