Information card for entry 8106783

Structure parameters

• Formula: C27 H25 N4 O9 Zn
• Calculated formula: C27 H25 N4 O9 Zn
• Title of publication: Crystal structure of diaqua(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2 N:N′)tetrakis(3-carboxy-5-ethylpyridine-2-carboxylato-κ2 N,O)dizinc(II), C54H50N8O18Zn2
• Authors of publication: Xiao-Ling, Li; Ke-Qiang, Wang; Zhao-Xiao, Li; Xue, Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 53 - 55
• a: 14.5349 ± 0.0005 Å
• b: 17.3183 ± 0.0005 Å
• c: 20.8872 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5257.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0551
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No