Information card for entry 4346557

Structure parameters

• Formula: C16 H20 Mn N4 O6
• Calculated formula: C16 H20.002 Mn N4 O6.001
• Title of publication: Mono-, bi-, and trinuclear bis-hydrated Mn(2+) complexes as potential MRI contrast agents.
• Authors of publication: Forgács, Attila; Regueiro-Figueroa, Martín; Barriada, José Luis; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Botta, Mauro; Platas-Iglesias, Carlos
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9576 - 9587
• a: 10.7431 ± 0.0011 Å
• b: 10.4863 ± 0.001 Å
• c: 16.0766 ± 0.0018 Å
• α: 90°
• β: 95.271 ± 0.005°
• γ: 90°
• Cell volume: 1803.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0348
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No