Information card for entry 7701328

Structure parameters

• Formula: C13 H22 B11 Cu N2
• Calculated formula: C13 H22 B11 Cu N2
• Title of publication: The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes
• Authors of publication: Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 8.2894 ± 0.0007 Å
• b: 11.3934 ± 0.001 Å
• c: 11.7893 ± 0.001 Å
• α: 71.393 ± 0.007°
• β: 79.489 ± 0.007°
• γ: 70.38 ± 0.008°
• Cell volume: 990.43 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0539
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No