Information card for entry 7241651

Structure parameters

• Formula: C15 H29 B11 O Ru
• Calculated formula: C15 H29 B11 O Ru
• Title of publication: Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.
• Authors of publication: Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 44
• Pages of publication: 25803 - 25810
• a: 9.59 ± 0.002 Å
• b: 22.809 ± 0.005 Å
• c: 9.636 ± 0.002 Å
• α: 90°
• β: 94.756 ± 0.003°
• γ: 90°
• Cell volume: 2100.5 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No