Information card for entry 7014922

Structure parameters

• Formula: C97 H99 Mn6 N6 O22.5
• Calculated formula: C97 H99 Mn6 N6 O22.5
• 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: 13.7188 ± 0.0004 Å
• b: 14.4624 ± 0.0005 Å
• c: 14.99 ± 0.0005 Å
• α: 95.712 ± 0.002°
• β: 116.428 ± 0.002°
• γ: 110.512 ± 0.002°
• Cell volume: 2375.9 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No