Information card for entry 7105687

Structure parameters

• Formula: C16 H12 Mn N10 O2
• Calculated formula: C16 H12 Mn N10 O2
• Title of publication: Chiral Magnetic MnII Metal-Organic Frameworks with Achiral Tetrazolate-Based Ligand by Spontaneous Resolution
• Authors of publication: Xiao-Lan Tong; Tong-Liang Hu; Jiong-Peng Zhao; Yue-Kui Wang; Hui Zhang; Xiang-He Bu
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8543
• a: 10.5842 ± 0.0015 Å
• b: 10.5842 ± 0.0015 Å
• c: 15.826 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1772.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No