Information card for entry 2102614

Structure parameters

• Chemical name: bi-(4-pyridyl-N-oxide).1,4-diiodo-2,3,5,6-tetrafluorobenzene
• Formula: C16 H8 F4 I2 N2 O2
• Calculated formula: C16 H8 F4 I2 N2 O2
• SMILES: Ic1c(c(c(I)c(c1F)F)F)F.n1(=O)ccc(cc1)c1ccn(=O)cc1
• Title of publication: Experimental Electron Density Study of the Supramolecular Aggregation between 4,4'-dipyridyl-N,N'-dioxide and 1,4-diiodotetrafluorobenzene at 90K
• Authors of publication: Riccardo Bianchi; Alessandra Forni; Tullio Pilati
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: 559 - 568
• a: 4.2279 ± 0.001 Å
• b: 8.009 ± 0.002 Å
• c: 13.569 ± 0.003 Å
• α: 101.18 ± 0.005°
• β: 98.946 ± 0.005°
• γ: 102.349 ± 0.005°
• Cell volume: 430.91 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0272
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No