Information card for entry 1560620

Structure parameters

• Formula: C50 H26 Mn N4 O12
• Calculated formula: C50 H26 Mn N4 O12
• 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: 22.3102 ± 0.0004 Å
• b: 22.3102 ± 0.0004 Å
• c: 12.0095 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5977.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 125
• Hermann-Mauguin space group symbol: P 4/n b m :2
• Hall space group symbol: -P 4a 2b
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2748
• Weighted residual factors for all reflections included in the refinement: 0.3017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No