Information card for entry 7212619

Structure parameters

• Formula: C214 H248 Cl4 Mn12 N28 O58
• Calculated formula: C214 H248 Cl4 Mn12 N28 O58
• 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: 27.8361 ± 0.001 Å
• b: 15.6707 ± 0.0006 Å
• c: 30.6046 ± 0.0012 Å
• α: 90°
• β: 112.593 ± 0.002°
• γ: 90°
• Cell volume: 12325.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No