Information card for entry 2228956

Structure parameters

• Chemical name: Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis{[4- (dimethylamino)pyridine-κ<i>N</i>^1^]zinc(II)}
• Formula: C42 H40 N4 O8 Zn2
• Calculated formula: C42 H40 N4 O8 Zn2
• SMILES: c1[n](ccc(c1)N(C)C)[Zn]123[O]=C(c4ccccc4)O[Zn]([n]4ccc(cc4)N(C)C)([O]=C(c4ccccc4)O1)(OC(=[O]3)c1ccccc1)[O]=C(O2)c1ccccc1
• Title of publication: Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]zinc(II)}
• Authors of publication: Yu, Zhe-Yin; Lin, Kun-Hua; Zhang, Fei-Fei; Shao, Min; Li, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m206
• a: 10.3146 ± 0.0012 Å
• b: 11.1558 ± 0.0013 Å
• c: 17.324 ± 0.002 Å
• α: 90°
• β: 95.616 ± 0.001°
• γ: 90°
• Cell volume: 1983.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes