Information card for entry 7107497

Structure parameters

• Formula: C260 H300 N20 S20 Zn10
• Calculated formula: C260 H300 N20 S20 Zn10
• SMILES: c12C[NH]3c4ccccc4S[Zn]43[NH](c3c(S4)cccc3)Cc3c(cc(c(c3CC)C[NH]3c4ccccc4S[Zn]43[NH](c3c(S4)cccc3)Cc3c(cc(c(c3CC)C[NH]3c4ccccc4S[Zn]43[NH](c3c(S4)cccc3)Cc3c(cc(c(c3CC)C[NH]3c4ccccc4S[Zn]43[NH](c3c(S4)cccc3)Cc3c(cc(c(c3CC)C[NH]3[Zn]4(Sc5c3cccc5)[NH](c3c(S4)cccc3)Cc3c(c(c(CC)cc3CC)C[NH]3c4ccccc4S[Zn]43[NH](c3c(S4)cccc3)Cc3c(cc(c(c3CC)C[NH]3c4ccccc4S[Zn]43[NH](c3c(S4)cccc3)Cc3c(cc(CC)c(c3CC)C[NH]3c4ccccc4S[Zn]43[NH](c3c(S4)cccc3)Cc3c(cc(c(c3CC)C[NH]3c4ccccc4S[Zn]43[NH](Cc3c(cc(c(c3CC)C[NH]3[Zn]5(Sc6c3cccc6)[NH](c3c(S5)cccc3)Cc(c1CC)c(cc2CC)CC)CC)CC)c1c(S4)cccc1)CC)CC)CC)CC)CC)CC)CC)CC)CC)CC)CC)CC)CC)CC
• Title of publication: Assembly and disassembly of a Zn10 high-nuclearity circular helicate
• Authors of publication: Zih-Syuan Wu; Jui-Ting Hsu; Chang-Chih Hsieh; Yih-Chern Horng
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3436
• a: 26.7089 ± 0.0014 Å
• b: 25.688 ± 0.0011 Å
• c: 27.0302 ± 0.0016 Å
• α: 90°
• β: 117.334 ± 0.007°
• γ: 90°
• Cell volume: 16474.7 ± 1.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.173
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No