Information card for entry 4348816

Structure parameters

• Formula: C72 H63.11 B Cl Cu3 F4 N3 P6
• Calculated formula: C72 H63.125 B Cl Cu3 F4 N3 P6
• Title of publication: Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of Bis(diphenylphosphino)amino Copper Hydride Nanoclusters [Cu₃(X)(μ₃-H)((PPh₂)₂NH)₃](BF₄), Where X = μ₂-Cl and μ₃-BH₄.
• Authors of publication: Li, Jiaye; White, Jonathan M.; Mulder, Roger J.; Reid, Gavin E.; Donnelly, Paul S.; O'Hair, Richard A J
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9858 - 9868
• a: 13.8 ± 0.003 Å
• b: 15.4 ± 0.003 Å
• c: 18.5 ± 0.004 Å
• α: 79 ± 0.03°
• β: 80 ± 0.03°
• γ: 74 ± 0.03°
• Cell volume: 3679.2 ± 1.5 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No