Information card for entry 2210884

Structure parameters

• Chemical name: trans-Bis(6-amino-6-methylperhydro-1,4-diazepine)zinc bis(perchlorate)
• Formula: C12 H30 Cl2 N6 O8 Zn
• Calculated formula: C12 H30 Cl2 N6 O8 Zn
• SMILES: Cl(=O)(=O)(=O)[O-].[Zn]1234([NH2]C5(C[NH]1CC[NH]4C5)C)[NH2]C1(C[NH]2CC[NH]3C1)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>trans</i>-Bis(6-amino-6-methylperhydro-1,4-diazepine)zinc(II) bis(perchlorate)
• Authors of publication: Bortoluzzi, Adailton J.; Neves, Ademir; Terra, Geovana G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2965 - m2966
• a: 8.833 ± 0.002 Å
• b: 17.012 ± 0.003 Å
• c: 13.868 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2083.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes