Information card for entry 7047071

Structure parameters

• Formula: C35 H31 Cu N O5
• Calculated formula: C35 H31 Cu N O5
• Title of publication: A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.
• Authors of publication: Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12079 - 12084
• a: 10.0967 ± 0.0008 Å
• b: 11.7663 ± 0.0006 Å
• c: 12.5885 ± 0.0009 Å
• α: 88.775 ± 0.005°
• β: 88.996 ± 0.007°
• γ: 87.429 ± 0.006°
• Cell volume: 1493.47 ± 0.18 ų
• Cell temperature: 298.3 ± 0.6 K
• Ambient diffraction temperature: 298.3 ± 0.6 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: 0.1289
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No