Information card for entry 4000101

Structure parameters

• Common name: Bis(dibenzoylmethanato)(2-methylpyridine)zinc(
• Chemical name: Bis(1,3-diphenyl-1,3-propanediono)(2-methylpyridine)zinc(II)
• Formula: C36 H29 N O4 Zn
• Calculated formula: C36 H29 N O4 Zn
• SMILES: c1ccc(cc1)C1=CC(=[O][Zn]2(O1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)[n]1c(cccc1)C)c1ccccc1
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• a: 21.189 ± 0.003 Å
• b: 28.212 ± 0.004 Å
• c: 10.05 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6007.7 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No