Information card for entry 7212032

Structure parameters

• Formula: C38 H50 Br4 N10 O6 Zn2
• Calculated formula: C38 H50 Br4 N10 O6 Zn2
• SMILES: c1cc2cc[n]1[Zn](Br)(Br)[n]1ccc(NC(=O)CCCCC(=O)Nc3cc[n](cc3)[Zn]([n]3ccc(NC(=O)CCCCC(=O)N2)cc3)(Br)Br)cc1.O=CN(C)C.N(C)(C)C=O
• Title of publication: Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand
• Authors of publication: Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 702
• a: 7.9082 ± 0.0006 Å
• b: 23.8744 ± 0.0016 Å
• c: 12.8431 ± 0.0009 Å
• α: 90°
• β: 99.321 ± 0.001°
• γ: 90°
• Cell volume: 2392.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No