Information card for entry 8103091

Structure parameters

• Chemical name: (1,4-bis((1H-imidazol-1-yl)methyl)benzene)-(5-hydroxyisophthalato) zinc(II)
• Formula: C22 H18 N4 O5 Zn
• Calculated formula: C22 H18 N4 O5 Zn
• Title of publication: Crystal structure of (1,4-bis((1H-imidazol-1-yl)methyl)benzene)-(5-hydroxyisophthalato)zinc(II), Zn(C14H14N4)(C8H4O5)
• Authors of publication: Dao-Cheng Xia; Qiu-Ping Han; Shuang Han; Xin-Lu Cao; Yun-De Zhu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 49
• a: 8.1529 ± 0.0004 Å
• b: 9.6506 ± 0.0004 Å
• c: 25.7059 ± 0.001 Å
• α: 90°
• β: 97.864 ± 0.004°
• γ: 90°
• Cell volume: 2003.53 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No