Information card for entry 7114834

Structure parameters

• Formula: C48 H50 B3 Cl Cu2 F12 Fe2 N12 O
• Calculated formula: C48 H48 B3 Cl Cu2 F12 Fe2 N12 O
• Title of publication: Self-assembly of a chloro-bridged helical coordination polymer achieved from a ferrocenyl-containing double-helicate
• Authors of publication: Chen-jie, Fang; Chun-ying, Duan; Dong, Guo; Cheng, He; Qing-jin, Meng; Zhe-ming, Wang; Chun-hua, Yan
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2540
• a: 23.443 ± 0.005 Å
• b: 24.577 ± 0.005 Å
• c: 21.329 ± 0.004 Å
• α: 90°
• β: 115.8 ± 0.03°
• γ: 90°
• Cell volume: 11064 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.1516
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No