Information card for entry 7212996

Structure parameters

• Formula: C104 H80 Cu4 N8 O20 S4
• Calculated formula: C104 H72 Cu4 N8 O18 S4
• Title of publication: Copper(II)-assisted self-assembly of bis-N,O-bidentate Schiff bases: new building blocks for a double-helical supramolecular motif
• Authors of publication: Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 1999
• Journal issue: 5
• Pages of publication: 975
• a: 18.026 ± 0.002 Å
• b: 23.45 ± 0.003 Å
• c: 22.744 ± 0.002 Å
• α: 90°
• β: 90.299 ± 0.009°
• γ: 90°
• Cell volume: 9614 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• 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: 0.1624
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.2381
• Weighted residual factors for significantly intense reflections: 0.1652
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No