Information card for entry 7000221

Structure parameters

• Formula: C18 H24 Br4 N6 Zn2
• Calculated formula: C18 H24 Br4 N6 Zn2
• SMILES: [Zn]12345[n]6ccccc6C=[N]1CC[NH]2CC[NH]3CC[N]4=Cc1cccc[n]51.[Zn](Br)(Br)([Br-])[Br-]
• Title of publication: Selective complexation of 3d metal(ii) ions with multidentate and chiral isomers derived from condensation of 2-pyridinecarboxaldehyde with triethylenetetramine
• Authors of publication: Lee, Yong-Min; Kim, Eun-Sook; Kim, Hee-Jin; Choi, Hee Jung; Kim, Young-Inn; Kang, Sung Kwon; Choi, Sung-Nak
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 126 - 133
• a: 17.288 ± 0.0003 Å
• b: 14.8886 ± 0.0002 Å
• c: 19.7071 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5072.49 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No