Information card for entry 4347762

Structure parameters

• Formula: C162 H234 N36 O54 Zn9
• Calculated formula: C162 H234 N36 O54 Zn9
• SMILES: [C@H]1(C)NC(=O)c2cc3cc(c2)C(=O)N[C@@H](C(=O)O[Zn]2([NH2][C@@H]4CCCC[C@H]4[NH2]2)OC(=O)[C@@H](C)NC(=O)c2cc4cc(c2)C(=O)N[C@H](C)C(=O)O[Zn]2([NH2][C@@H]5CCCC[C@H]5[NH2]2)OC(=O)[C@@H](C)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)C(=O)O[Zn]2([NH2][C@@H]5CCCC[C@H]5[NH2]2)OC1=O)C(=O)N[C@H](C)C(=O)O[Zn]1([NH2][C@@H]2CCCC[C@H]2[NH2]1)OC(=O)[C@H](NC(=O)c1cc2cc(c1)C(=O)N[C@H](C)C(=O)O[Zn]1([NH2][C@H]5[C@@H](CCCC5)[NH2]1)OC(=O)[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)C(=O)O[Zn]1([NH2][C@H]5[C@@H](CCCC5)[NH2]1)OC(=O)[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)C(=O)O[Zn]1([NH2][C@H]5[C@@H](CCCC5)[NH2]1)OC(=O)[C@H](NC2=O)C)C(=O)N[C@H](C)C(=O)O[Zn]1([NH2][C@@H]2CCCC[C@H]2[NH2]1)OC(=O)[C@H](NC4=O)C)C)C(=O)N[C@H](C)C(=O)O[Zn]1([NH2][C@@H]2CCCC[C@H]2[NH2]1)OC(=O)[C@H](NC3=O)C)C)C)C
• Title of publication: Catenation of Homochiral Metal-Organic Nanocages or Nanotubes.
• Authors of publication: Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5095 - 5097
• a: 25.6462 ± 0.0001 Å
• b: 25.6462 ± 0.0001 Å
• c: 25.6573 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14614.6 ± 0.14 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2545
• Weighted residual factors for all reflections included in the refinement: 0.2627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No