Information card for entry 2207618

Structure parameters

• Chemical name: Tetrakis(μ-2-nitrobenzoato-κ^2^O:O')bis[(pyridine-κN)zinc(II)]
• Formula: C38 H26 N6 O16 Zn2
• Calculated formula: C38 H26 N6 O16 Zn2
• SMILES: c1cccc(c1C1=[O][Zn]23([O]=C(O[Zn]([n]4ccccc4)(O1)([O]=C(c1ccccc1N(=O)=O)O3)[O]=C(O2)c1ccccc1N(=O)=O)c1ccccc1N(=O)=O)[n]1ccccc1)N(=O)=O
• Title of publication: Tetrakis(μ-2-nitrobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(pyridine-κ<i>N</i>)zinc(II)]
• Authors of publication: Guo-Liang Zhao; Yi-Hang Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2699 - m2700
• a: 7.9627 ± 0.0009 Å
• b: 10.4988 ± 0.0012 Å
• c: 12.3751 ± 0.0014 Å
• α: 76.616 ± 0.002°
• β: 87.507 ± 0.002°
• γ: 70.685 ± 0.002°
• Cell volume: 949.18 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes