Information card for entry 2229559

Structure parameters

• Chemical name: [(1<i>R</i>*,2<i>S</i>*)-<i>N</i>^1^-Benzyl-2-phenyl-1-(pyridin-2-yl)- <i>N</i>^2^-(pyridin-2-ylmethyl)ethane-1,2-diamine]dichloridozinc(II)
• Formula: C26 H26 Cl2 N4 Zn
• Calculated formula: C26 H26 Cl2 N4 Zn
• SMILES: [Zn]12(Cl)(Cl)[NH]([C@@H]([C@H]([NH]1Cc1[n]2cccc1)c1ccccc1)c1ncccc1)Cc1ccccc1.[Zn]12(Cl)(Cl)[NH]([C@H]([C@@H]([NH]1Cc1[n]2cccc1)c1ccccc1)c1ncccc1)Cc1ccccc1
• Title of publication: [(1<i>R</i>*,2<i>S</i>*)-<i>N</i>^1^-Benzyl-2-phenyl-1-(pyridin-2-yl)-<i>N</i>^2^-(pyridin-2-ylmethyl)ethane-1,2-diamine]dichloridozinc(II)
• Authors of publication: Bortoluzzi, Adailton J.; Mireski, Sandro L.; Joussef, Antonio C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m337 - m338
• a: 9.1716 ± 0.0014 Å
• b: 28.888 ± 0.002 Å
• c: 10.4304 ± 0.0012 Å
• α: 90°
• β: 109.541 ± 0.008°
• γ: 90°
• Cell volume: 2604.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1277
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes