Information card for entry 2210471

Structure parameters

• Chemical name: Bis[N,N'-bis(3,4-methylenedioxybenzyl)propane-1,3-diamine]dichlorozinc(II)
• Formula: C19 H22 Cl2 N2 O4 Zn
• Calculated formula: C19 H22 Cl2 N2 O4 Zn
• SMILES: [Zn]1(Cl)(Cl)[NH](CCC[NH]1Cc1cc2OCOc2cc1)Cc1cc2OCOc2cc1
• Title of publication: Bis[<i>N</i>,<i>N</i>'-bis(3,4-methylenedioxybenzyl)propane-1,3-diamine]dichlorozinc(II)
• 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: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2607 - m2609
• a: 15.612 ± 0.004 Å
• b: 12.934 ± 0.003 Å
• c: 10.318 ± 0.003 Å
• α: 90°
• β: 94.557 ± 0.003°
• γ: 90°
• Cell volume: 2076.9 ± 0.9 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: 0.0538
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes