Information card for entry 1100722

Structure parameters

• Formula: C33 H15 Cl4 Fe4 N3 O17
• Calculated formula: C33 H15 Cl3.999 Fe4 N3 O17
• 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: 12.531 ± 0.003 Å
• b: 12.531 ± 0.003 Å
• c: 18.476 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2512.5 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.1241
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.2454
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No