Information card for entry 7121047

Structure parameters

• Formula: C26 H58 B11 Li2 N O6
• Calculated formula: C26 H58 B11 Li2 N O6
• Title of publication: Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.
• Authors of publication: Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 1698 - 1701
• a: 10.435 ± 0.0011 Å
• b: 10.8304 ± 0.0013 Å
• c: 18.597 ± 0.002 Å
• α: 87.873 ± 0.009°
• β: 74.958 ± 0.01°
• γ: 64.502 ± 0.012°
• Cell volume: 1825.3 ± 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: 0.159
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No