Information card for entry 1536882

Structure parameters

• Common name: 11
• Formula: C127.8 H160.2 N3 O12 Zn3
• Calculated formula: C118 H148.648 N3 O12 Zn3
• SMILES: [Zn]12(Oc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1O2)C(C)(C)C)C(C)(C)C)[n]1ccc(/C=C/c2cc(/C=C/c3cc[n]([Zn]45(Oc6cc(cc(c6O4)C(C)(C)C)C(C)(C)C)Oc4c(cc(cc4O5)C(C)(C)C)C(C)(C)C)cc3)cc(c2)/C=C/c2cc[n]([Zn]34(Oc5cc(cc(c5O3)C(C)(C)C)C(C)(C)C)Oc3c(cc(cc3O4)C(C)(C)C)C(C)(C)C)cc2)cc1.Cc1ccccc1
• Title of publication: Redox-promoted associative assembly of metal‒organic materials
• Authors of publication: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 707
• a: 15.4724 ± 0.0016 Å
• b: 15.4781 ± 0.0016 Å
• c: 28.908 ± 0.003 Å
• α: 78.73 ± 0.004°
• β: 88.358 ± 0.004°
• γ: 60.122 ± 0.003°
• Cell volume: 5867.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1811
• Residual factor for significantly intense reflections: 0.1496
• Weighted residual factors for significantly intense reflections: 0.3209
• Weighted residual factors for all reflections included in the refinement: 0.3344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No