Information card for entry 7129385

Structure parameters

• Formula: C22 H54.97 B10 Cl0.03 N3 O2
• Calculated formula: C22 H54.972 B10 Cl0.028 N3 O2
• 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: 9.3429 ± 0.0002 Å
• b: 10.3905 ± 0.0002 Å
• c: 18.4914 ± 0.0003 Å
• α: 84.664 ± 0.002°
• β: 82.609 ± 0.001°
• γ: 64.955 ± 0.002°
• Cell volume: 1611.32 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No