Information card for entry 7047074

Structure parameters

• Formula: C38.5 H29 Cu N O4.5
• Calculated formula: C38.5 H29 Cu N O4.5
• 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: 24.2987 ± 0.0016 Å
• b: 8.5438 ± 0.0005 Å
• c: 30.614 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6355.6 ± 0.8 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No