Information card for entry 2202243

Structure parameters

• Formula: C36 H38 N12 O7 Zn
• Calculated formula: C36 H38 N12 O7 Zn
• SMILES: [Zn]12345[N](CC[N]3(Cc3[n]4c4ccccc4[nH]3)Cc3[n]5c4ccccc4[nH]3)(Cc3[n]1c1ccccc1[nH]3)Cc1[n]2c2ccccc2[nH]1.N(=O)(=O)[O-].N(=O)(=O)[O-].OCC
• Title of publication: [<i>N,N,N</i>',<i>N</i>'-Tetrakis(2-benzimidazolylmethyl)-1,2-ethanediamine]zinc(II) dinitrate ethanol solvate
• Authors of publication: Ying-Chun Liu; Jian-Fang Ma; Ning-Hai Hu; Heng-Qing Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m361 - m363
• a: 11.783 ± 0.003 Å
• b: 12.219 ± 0.004 Å
• c: 14.468 ± 0.006 Å
• α: 91.42 ± 0.03°
• β: 103.51 ± 0.03°
• γ: 113.653 ± 0.018°
• Cell volume: 1838.8 ± 1.2 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 all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes