Information card for entry 7212615

Structure parameters

• Formula: C42 H42 Cl Mn3 N6 O14
• Calculated formula: C39 H30 Cl Mn3 N6 O11
• 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: 15.6887 ± 0.0003 Å
• b: 15.6887 ± 0.0003 Å
• c: 22.2702 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4747.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections: 0.1807
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7718
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No