Information card for entry 7044510

Structure parameters

• Formula: C26 H24 Mn N2 O13
• Calculated formula: C26 H18 Mn N2 O13
• Title of publication: A robust Viologen and Mn-based porous coordination polymer with two types of Lewis acid sites providing high affinity for H2O, CO2 and NH3
• Authors of publication: Mercier, Nicolas; Leblanc, Antonin; Allain, Magali; Dul, Marie-Claire; WEBER, Guy; Geoffroy, Nicolas; Bellat, Jean Pierre; Bezverkhyy, Igor
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.4605 ± 0.0008 Å
• b: 10.4594 ± 0.0005 Å
• c: 18.737 ± 0.001 Å
• α: 90 ± 0.005°
• β: 111.925 ± 0.007°
• γ: 90 ± 0.005°
• Cell volume: 2629 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No