Information card for entry 7230948

Structure parameters

• Formula: C28 H100 B44 N6 Na2 O8
• Calculated formula: C28 H100 B44 N6 Na2 O8
• Title of publication: Efficient access to amides of the carborane carboxylic acid [1-(COOH)‒CB11H11]−
• Authors of publication: Shen, Yunjun; Zheng, Kai; Dontha, Rakesh; Pan, Yani; Liu, Jiyong; Duttwyler, Simon
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 40
• Pages of publication: 22447
• a: 7.661 ± 0.0003 Å
• b: 14.6847 ± 0.0011 Å
• c: 30.005 ± 0.002 Å
• α: 88.511 ± 0.006°
• β: 89.235 ± 0.004°
• γ: 85.054 ± 0.005°
• Cell volume: 3361.6 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1656
• Residual factor for significantly intense reflections: 0.1413
• Weighted residual factors for significantly intense reflections: 0.2968
• Weighted residual factors for all reflections included in the refinement: 0.3087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No