Information card for entry 1567639

Structure parameters

• Formula: C20 H14 I2 N2 O2
• Calculated formula: C20 H14 I2 N2 O2
• Title of publication: 2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis(4-iodophenol)
• Authors of publication: Blackwelder, Lauren A.; Kelley, Andrea R.; Balaich, Gary J.; Jefferies, Latisha R.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 9
• Pages of publication: x220895
• a: 7.4776 ± 0.0001 Å
• b: 19.104 ± 0.0002 Å
• c: 26.0919 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3727.28 ± 0.08 ų
• Cell temperature: 112.3 ± 0.7 K
• Ambient diffraction temperature: 112.3 ± 0.7 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes