Information card for entry 2209443

Structure parameters

• Chemical name: Bis{4-Bromo-2-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II) dinitrate
• Formula: C22 H30 Br2 N6 O8 Zn
• Calculated formula: C22 H30 Br2 N6 O8 Zn
• SMILES: c12c(ccc(c1)Br)O[Zn]1([N](=C2)CCC[NH2+]C)[N](=Cc2c(ccc(c2)Br)O1)CCC[NH2+]C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis{4-Bromo-2-[3-(methylammonio)propyliminomethyl]phenolato}zinc(II) dinitrate
• Authors of publication: Qing Wang; Xiao-Niu Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1558 - m1559
• a: 22.01 ± 0.004 Å
• b: 47.491 ± 0.005 Å
• c: 5.436 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5682 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.206
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes