Information card for entry 2216830

Structure parameters

• Chemical name: {Bis[2-(3,4-methylenedioxybenzylamino)ethyl]amine}dichloridozinc(II) hemihydrate
• Formula: C20 H26 Cl2 N3 O4.5 Zn
• Calculated formula: C20 H26 Cl2 N3 O4.5 Zn
• Title of publication: {Bis[2-(3,4-methylenedioxybenzylamino)ethyl]amine}dichloridozinc(II) hemihydrate
• Authors of publication: Han, Li-Jun; Yang, Shu-Ping; Wang, Da-Qi; Xia, Hai-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2929 - m2929
• a: 24.042 ± 0.003 Å
• b: 13.0193 ± 0.0018 Å
• c: 7.2678 ± 0.0014 Å
• α: 90°
• β: 94.934 ± 0.002°
• γ: 90°
• Cell volume: 2266.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2627
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes