Information card for entry 8103163

Structure parameters

• Chemical name: bis[(N,N'-butylenebis(imidazole))(5-aminoisophthato)zinc(II)]
• Formula: C36 H38 N10 O8 Zn2
• Calculated formula: C36 H32 N10 O8 Zn2
• Title of publication: Crystal structure of (N,N'-butylenebis(imidazole))-(5-aminoisophthalato)zinc(II), Zn(C8H5NO4)(C10H14N4)
• Authors of publication: Wei-Qiu Kan; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 394
• a: 9.4782 ± 0.0002 Å
• b: 13.8067 ± 0.0004 Å
• c: 14.8094 ± 0.0005 Å
• α: 90.635 ± 0.002°
• β: 93.462 ± 0.002°
• γ: 93.506 ± 0.002°
• Cell volume: 1930.63 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No