Information card for entry 4302065

Structure parameters

• Chemical name: {3-[(pyrazol-1-yl)methyl]benzamide}2 (F6-acac)4 Cu(II)2
• Formula: C42 H26 Cu2 F24 N6 O10
• Calculated formula: C42 H26 Cu2 F24 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: 10.0325 ± 0.001 Å
• b: 15.1765 ± 0.0015 Å
• c: 16.644 ± 0.0016 Å
• α: 90°
• β: 99.957 ± 0.002°
• γ: 90°
• Cell volume: 2496 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No