Information card for entry 7212618

Structure parameters

• Formula: C174 H163 Mn6 N13 O24
• Calculated formula: C174 H163 Mn6 N13 O24.02
• Title of publication: Assembling molecular triangles into discrete and infinite architectures
• Authors of publication: Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2064
• a: 21.4257 ± 0.0004 Å
• b: 21.4257 ± 0.0004 Å
• c: 28.5757 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11360.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No