Information card for entry 2216041

Structure parameters

• Chemical name: Tris(3,3'-diamino-2,2'-bipyridine)zinc(II) bis(nitrate)
• Formula: C30 H30 N14 O6 Zn
• Calculated formula: C30 H30 N14 O6 Zn
• SMILES: N(=O)(=O)[O-].[Zn]123([n]4cccc(c4c4c(ccc[n]24)N)N)([n]2cccc(c2c2c(ccc[n]12)N)N)[n]1cccc(c1c1c(ccc[n]31)N)N.N(=O)(=O)[O-]
• Title of publication: Tris(3,3'-diamino-2,2'-bipyridine)zinc(II) dinitrate
• Authors of publication: Wu, Chang-Ju; Chen, Ju-Na; Shi, Jing-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2668 - m2668
• a: 14.6116 ± 0.0019 Å
• b: 14.6116 ± 0.0019 Å
• c: 13.199 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2440.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes