Information card for entry 7212616

Structure parameters

• Formula: C96 H94 Mn6 N10 O20
• Calculated formula: C96 H94 Mn6 N10 O20
• 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: 13.4841 ± 0.0004 Å
• b: 18.4592 ± 0.0005 Å
• c: 19.6489 ± 0.0006 Å
• α: 90°
• β: 104.358 ± 0.002°
• γ: 90°
• Cell volume: 4738 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1119
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections: 0.1737
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No