Information card for entry 1536876

Structure parameters

• Formula: C38 H50 N2 O4 Zn
• Calculated formula: C38 H50 N2 O4 Zn
• SMILES: [Zn]12(Oc3c(O1)cc(cc3C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)([n]1ccccc1)[n]1ccccc1
• 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: 10.671 ± 0.005 Å
• b: 19.665 ± 0.009 Å
• c: 17.723 ± 0.008 Å
• α: 90°
• β: 97.137 ± 0.007°
• γ: 90°
• Cell volume: 3690 ± 3 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: 0.2969
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No