Information card for entry 7129384

Structure parameters

• Formula: C18 H45 B10 N O3
• Calculated formula: C18 H45 B10 N O3
• Title of publication: [closo-B10H8-1,10-(COOH)2]2-: A building block for functional materials?
• Authors of publication: Kapuscinski, Szymon; Hietsoi, Oleksandr; Pietrzak, Anna; Friedli, Andrienne C.; Kaszynski, Piotr
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.2214 ± 0.0001 Å
• b: 11.1927 ± 0.0001 Å
• c: 13.9366 ± 0.0001 Å
• α: 97.609 ± 0.001°
• β: 94.698 ± 0.001°
• γ: 113.844 ± 0.001°
• Cell volume: 1429.27 ± 0.03 ų
• Cell temperature: 297 ± 3 K
• Ambient diffraction temperature: 297 ± 3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No