Information card for entry 2231305

Structure parameters

• Chemical name: Bis{<i>N</i>-methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane- 1,2-diamine}zinc bis(perchlorate)
• Formula: C20 H30 Cl2 N6 O8 Zn
• Calculated formula: C20 H30 Cl2 N6 O8 Zn
• SMILES: [Zn]1234([n]5c(cccc5)C(=[N]1CC[NH]2C)C)[n]1c(cccc1)C(=[N]3CC[NH]4C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Bis{<i>N</i>-methyl-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]ethane-1,2-diamine}zinc bis(perchlorate)
• Authors of publication: Wang, Chen-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1038 - m1039
• a: 12.7999 ± 0.0003 Å
• b: 15.8414 ± 0.0004 Å
• c: 13.6869 ± 0.0003 Å
• α: 90°
• β: 102.461 ± 0.001°
• γ: 90°
• Cell volume: 2709.89 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes