Information card for entry 2016494

Structure parameters

• Chemical name: bis(acetylacetonato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')zinc(II)
• Formula: C22 H22 N2 O4 Zn
• Calculated formula: C22 H22 N2 O4 Zn
• SMILES: C1(=CC(=[O][Zn]23(O1)([n]1cccc4c1c1c(ccc[n]21)cc4)[O]=C(C=C(O3)C)C)C)C
• Title of publication: Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine
• Authors of publication: Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m140 - m143
• a: 15.5576 ± 0.0011 Å
• b: 10.1598 ± 0.0007 Å
• c: 12.5487 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1983.5 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes