Information card for entry 4501529

Structure parameters

• Formula: C52 H50 Cu6 F12 N18 O17 S4
• Calculated formula: C52 H50 Cu6 F12 N18 O17 S4
• Title of publication: Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice
• Authors of publication: Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2606
• a: 18.853 ± 0.002 Å
• b: 18.853 ± 0.002 Å
• c: 20.639 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7335.8 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No