Information card for entry 2208622

Structure parameters

• Common name: Zn(ba)2(phen)
• Chemical name: Dibenzoato(1,10-phenanthroline)Zinc(II)
• Formula: C26 H18 N2 O4 Zn
• Calculated formula: C26 H18 N2 O4 Zn
• SMILES: [Zn]123([n]4cccc5ccc6ccc[n]1c6c45)(OC(=[O]2)c1ccccc1)OC(=[O]3)c1ccccc1
• Title of publication: Dibenzoato(1,10-phenanthroline)zinc(II)
• Authors of publication: Xu-Cheng Fu; Xiao-Yan Wang; Ming-Tian Li; Cheng-Gang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m773 - m775
• a: 7.5698 ± 0.0009 Å
• b: 16.7052 ± 0.0019 Å
• c: 18.017 ± 0.002 Å
• α: 90°
• β: 101.813 ± 0.002°
• γ: 90°
• Cell volume: 2230.1 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0816
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No