Information card for entry 4302141

Structure parameters

• Formula: C18 H46 Co11 F3 N80 O20
• Calculated formula: C18 H12 Co11 F3 N80 O15
• Title of publication: Spin Frustration and Long-Range Ordering in an AlB2-like Metal-Organic Framework with Unprecedented N,N,N-Tris-tetrazol-5-yl-amine Ligand
• Authors of publication: Xian-Ming Zhang; Tao Jiang; Hai-Shun Wu; Ming-Hua Zeng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4536 - 4541
• a: 15.1252 ± 0.0005 Å
• b: 15.1252 ± 0.0005 Å
• c: 17.2416 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3415.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No