Information card for entry 7047073

Structure parameters

• Formula: C36 H27 Cu N O4
• Calculated formula: C36 H27 Cu N O4
• 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: 9.5306 ± 0.0002 Å
• b: 10.927 ± 0.0002 Å
• c: 15.9767 ± 0.0004 Å
• α: 70.823 ± 0.002°
• β: 89.045 ± 0.002°
• γ: 64.357 ± 0.002°
• Cell volume: 1401.25 ± 0.06 ų
• Cell temperature: 296.8 ± 0.9 K
• Ambient diffraction temperature: 296.8 ± 0.9 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: 0.0711
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No