Information card for entry 1560619

Structure parameters

• Formula: C48 H24 Mn3 N4 O13
• Calculated formula: C48 H24 Mn3 N4 O13
• Title of publication: Cationic Mn 2+ /H + exchange leading a slow solid-state transformation of a 2D porphyrinic network at ambient conditions
• Authors of publication: Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María Isabel
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 247
• Pages of publication: 161 - 167
• a: 19.6713 ± 0.0016 Å
• b: 23.7434 ± 0.0019 Å
• c: 9.9624 ± 0.0007 Å
• α: 90°
• β: 106.842 ± 0.007°
• γ: 90°
• Cell volume: 4453.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No