Information card for entry 1100723

Structure parameters

• Common name: C40.50 H18 Fe3 N3 O16
• Formula: C40.5 H18 Fe3 N3 O16
• Calculated formula: C40.5 H18 Fe3 N3 O16
• Title of publication: Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New "acs" Topology
• Authors of publication: Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2998 - 3000
• a: 13.01 ± 0.004 Å
• b: 13.01 ± 0.004 Å
• c: 14.874 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2180.3 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No