Information card for entry 4501526

Structure parameters

• Formula: C26 H26 Cu3 F6 N9 O7.5 S2
• Calculated formula: C26 H26 Cu3 F6 N9 O7.5 S2
• 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: 34.815 ± 0.003 Å
• b: 10.6357 ± 0.0007 Å
• c: 21.0327 ± 0.0014 Å
• α: 90°
• β: 99.485 ± 0.002°
• γ: 90°
• Cell volume: 7681.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No