Information card for entry 1536879

Structure parameters

• Formula: C47 H56 N2 O4 Zn
• Calculated formula: C47 H56 N2 O4 Zn
• SMILES: [Zn]123(Oc4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)[n]1cccc2c1c1[n]3cccc1cc2.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: 10.404 ± 0.003 Å
• b: 32.256 ± 0.008 Å
• c: 13.672 ± 0.003 Å
• α: 90°
• β: 111.664 ± 0.004°
• γ: 90°
• Cell volume: 4264.1 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2885
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.2965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No