Information card for entry 1536877

Structure parameters

• Common name: 5
• Formula: C32 H46 N2 O4 Zn
• Calculated formula: C32 H46 N2 O4 Zn
• SMILES: [Zn]12(Oc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)[n]1cn(cc1)C
• 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: 12.2437 ± 0.0008 Å
• b: 18.3841 ± 0.0011 Å
• c: 30.3846 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6839.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No