Information card for entry 7701331

Structure parameters

• Formula: C32 H86 B22 Cu2 N2 O2 P2 Pd
• Calculated formula: C32 H86 B22 Cu2 N2 O2 P2 Pd
• 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: 15.7282 ± 0.0009 Å
• b: 10.9616 ± 0.0006 Å
• c: 17.0109 ± 0.0014 Å
• α: 90°
• β: 97.622 ± 0.006°
• γ: 90°
• Cell volume: 2906.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No