Information card for entry 4302067

Structure parameters

• Chemical name: 528 3-[(2-phenylimidazol-1-yl)methyl]benzamide, Cu2(2-FC6H4COO)4 (CH3CN)2
• Formula: C70 H58 Cu2 F4 N10 O10
• Calculated formula: C70 H58 Cu2 F4 N10 O10
• SMILES: c1(c2ccccc2)[n](ccn1Cc1cc(ccc1)C(=O)N)[Cu]1234[O]=C(c5ccccc5F)O[Cu]2([O]=C(c2c(F)cccc2)O1)([n]1c(c2ccccc2)n(cc1)Cc1cc(ccc1)C(=O)N)([O]=C(c1c(cccc1)F)O3)OC(c1c(cccc1)F)=[O]4.C(#N)C.C(#N)C.C(#N)C.C(#N)C
• 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: 10.9819 ± 0.0016 Å
• b: 11.2072 ± 0.0015 Å
• c: 14.926 ± 0.002 Å
• α: 99.042 ± 0.008°
• β: 91.419 ± 0.006°
• γ: 116.183 ± 0.007°
• Cell volume: 1618.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No