Information card for entry 7235515

Structure parameters

• Formula: C96 H96 Cl8 Fe2 N8 O
• Calculated formula: C96 H96 Cl8 Fe2 N8 O
• Title of publication: Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands
• Authors of publication: Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 28
• Pages of publication: 14513
• a: 30.7135 ± 0.0009 Å
• b: 21.8661 ± 0.0006 Å
• c: 15.6061 ± 0.0005 Å
• α: 90°
• β: 100.943 ± 0.003°
• γ: 90°
• Cell volume: 10290.2 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No