Information card for entry 4348817

Structure parameters

• Formula: C72 H68 B2 Cu3 F4 N3 P6
• Calculated formula: C72 H68 B2 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: 18.421 ± 0.0004 Å
• b: 22.4885 ± 0.0003 Å
• c: 21.369 ± 0.0004 Å
• α: 90°
• β: 113.774 ± 0.002°
• γ: 90°
• Cell volume: 8101.2 ± 0.3 ų
• Cell temperature: 292.56 ± 0.1 K
• Ambient diffraction temperature: 292.56 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No