Information card for entry 7201744

Structure parameters

• Common name: 1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate
• Chemical name: 1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate
• Formula: C22 H26 N4 O2
• Calculated formula: C22 H26 N4 O2
• SMILES: c1(n(ccn1)CCCCn1c(c2ccccc2)ncc1)c1ccccc1.O.O
• Title of publication: Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand
• Authors of publication: Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 565
• a: 16.091 ± 0.006 Å
• b: 16.091 ± 0.006 Å
• c: 8.041 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2082 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1678
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No