Information card for entry 4348791

Structure parameters

• Formula: C35 H37 Mn2 N5 O9
• Calculated formula: C35 H37 Mn2 N5 O9
• Title of publication: In-Depth Magnetic Characterization of a [2 ×2] Mn(III) Square Grid Using SQUID Magnetometry, Inelastic Neutron Scattering, and High-Field Electron Paramagnetic Resonance Spectroscopy.
• Authors of publication: Konstantatos, Andreas; Bewley, Robert; Barra, Anne-Laure; Bendix, Jesper; Piligkos, Stergios; Weihe, Høgni
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10377 - 10382
• a: 23.7556 ± 0.0014 Å
• b: 12.9539 ± 0.0008 Å
• c: 22.6368 ± 0.0012 Å
• α: 90°
• β: 108.793 ± 0.002°
• γ: 90°
• Cell volume: 6594.6 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0692
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No