Information card for entry 2224182

Structure parameters

• Chemical name: Tetra-μ-benzoato-bis{[<i>trans</i>-1-(2-pyridyl)-2-(4- pyridyl)ethylene]zinc(II)}
• Formula: C52 H40 N4 O8 Zn2
• Calculated formula: C52 H40 N4 O8 Zn2
• SMILES: C1(c2ccccc2)=[O][Zn]23([n]4ccc(cc4)/C=C/c4ccccn4)OC(c4ccccc4)=[O][Zn]([n]4ccc(cc4)/C=C/c4ccccn4)(O1)([O]=C(O3)c1ccccc1)OC(c1ccccc1)=[O]2
• Title of publication: Tetra-μ-benzoato-bis{[<i>trans</i>-1-(2-pyridyl)-2-(4-pyridyl)ethylene]zinc(II)}
• Authors of publication: Song, Young Joo; Lee, Soo-Won; Jang, Kyung Hwan; Kim, Cheal; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1495 - m1496
• a: 24.919 ± 0.006 Å
• b: 12.186 ± 0.003 Å
• c: 15.742 ± 0.004 Å
• α: 90°
• β: 109.857 ± 0.004°
• γ: 90°
• Cell volume: 4496 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes