Information card for entry 4337087

Structure parameters

• Formula: C76 H72 Br4 Mn8 N44 O22
• Calculated formula: C76 H72 Br4 Mn8 N44 O22
• Title of publication: Conversion from a heterochiral [2 + 2] coaxially nested double-helical column to a cationic spiral staircase stimulated by an ionic liquid anion.
• Authors of publication: Qin, Jianhua; Jia, Yanyuan; Li, Huijun; Zhao, Bei; Wu, Dongqing; Zang, Shuangquan; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 685 - 687
• a: 19.87 ± 0.003 Å
• b: 19.87 ± 0.003 Å
• c: 12.749 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5033.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No