Information card for entry 7701327

Structure parameters

• Formula: C57 H57 B11 Cu P3
• Calculated formula: C57 H57 B11 Cu P3
• 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: 12.5248 ± 0.0008 Å
• b: 12.9185 ± 0.0008 Å
• c: 18.8957 ± 0.0009 Å
• α: 106.031 ± 0.005°
• β: 97.416 ± 0.004°
• γ: 104.435 ± 0.005°
• Cell volume: 2780.6 ± 0.3 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 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: 0.0918
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No