Information card for entry 4081881

Structure parameters

• Chemical name: Hydrido(nitrosyl)(nitrosoethane-κ<i>N</i>)[bis(triscyclohexyl)phosphane]rhenium(+) tetra(pentafluorophenyl)borate (-)
• Formula: C62 H72 B F20 N2 O2 P2 Re
• Calculated formula: C62 H72 B F20 N2 O2 P2 Re
• SMILES: [ReH]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(N=O)=NOCC.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Efficient Lewis Acid Promoted Alkene Hydrogenations Using Dinitrosyl Rhenium(−I) Hydride Catalysts
• Authors of publication: Jiang, Yanfeng; Huang, Wenjing; Schmalle, Helmut W.; Blacque, Olivier; Fox, Thomas; Berke, Heinz
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7043
• a: 13.4696 ± 0.0017 Å
• b: 14.0584 ± 0.0016 Å
• c: 18.237 ± 0.002 Å
• α: 105.373 ± 0.014°
• β: 102.731 ± 0.014°
• γ: 99.15 ± 0.014°
• Cell volume: 3160 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No