Information card for entry 4302068

Structure parameters

• Chemical name: BS-2-11e mu(o-FPhCOO)4 Cu2[4-imidazolylmethylbenzamide]2
• Formula: C50 H38 Cu2 F4 N6 O10
• Calculated formula: C50 H38 Cu2 F4 N6 O10
• Title of publication: Establishing Amide...Amide Reliability and Synthon Transferability in the Supramolecular Assembly of Metal-Containing One-Dimensional Architectures
• Authors of publication: Christer B. Aakeröy; Benjamin M. T. Scott; Michelle M. Smith; Joaquin F. Urbina; John Desper
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4052 - 4061
• a: 10.8218 ± 0.0009 Å
• b: 19.4 ± 0.0014 Å
• c: 12.0541 ± 0.0008 Å
• α: 90°
• β: 108.346 ± 0.004°
• γ: 90°
• Cell volume: 2402 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No