Information card for entry 2226279

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ- 4,4'-bis(pyrazol-1-ylmethyl)biphenyl-κ^2^<i>N</i>^2^:<i>N</i>^2'^]
• Formula: C20 H18 N6 O6 Zn
• Calculated formula: C20 H18 N6 O6 Zn
• SMILES: [Zn](ON(=O)=O)(ON(=O)=O)[n]1n(ccc1)Cc1ccc(cc1)c1ccc(cc1)Cn1[n](ccc1)[Zn](ON(=O)=O)(ON(=O)=O)[n]1n(ccc1)Cc1ccc(c2ccc(Cn3nccc3)cc2)cc1
• Title of publication: <i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bis(pyrazol-1-ylmethyl)biphenyl-κ^2^<i>N</i>^2^:<i>N</i>^2'^]
• Authors of publication: Wang, Xue; Gao, Jin-Sheng; Ding, Zhi-Yong; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m700
• a: 14.088 ± 0.003 Å
• b: 13.78 ± 0.003 Å
• c: 10.744 ± 0.002 Å
• α: 90°
• β: 95.76 ± 0.03°
• γ: 90°
• Cell volume: 2075.2 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes