Information card for entry 7044770

Structure parameters

• Formula: C50 H65 Cl9.75 I0.25 N8 O Ru
• Calculated formula: C50 H65 Cl9.75 I0.25 N8 O Ru
• Title of publication: A novel strategy to construct Janus metallamacrocycles with both a Ru‒arene face and an imidazolium face
• Authors of publication: Li, Ji; Zhang, Peipei; Xu, Yan; Su, Zhi; Qian, Yong; Li, Shunli; Yu, Tao; Sadler, Peter J.; Liu, Hong-Ke
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 12.694 ± 0.005 Å
• b: 31.347 ± 0.012 Å
• c: 14.646 ± 0.006 Å
• α: 90°
• β: 98.607 ± 0.005°
• γ: 90°
• Cell volume: 5762 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1248
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.2743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No