Information card for entry 7103687

Structure parameters

• Formula: C47.5 H50 N2 Ni O8.5
• Calculated formula: C47.5 H42 N2 Ni O8.5
• Title of publication: A homochiral triple helix constructed from an axially chiral bipyridine
• Authors of publication: Wenbin Lin; Yong Cui; Helen L. Ngo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 26.4314 ± 0.0007 Å
• b: 11.4071 ± 0.0003 Å
• c: 16.5957 ± 0.0004 Å
• α: 90°
• β: 114.379 ± 0.002°
• γ: 90°
• Cell volume: 4557.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No