Information card for entry 7121048

Structure parameters

• Formula: C11 H20 B11 Cu N4
• Calculated formula: C11 H20 B11 Cu N4
• 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: 17.345 ± 0.002 Å
• b: 12.6451 ± 0.0012 Å
• c: 9.131 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2002.7 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No