Information card for entry 4119467

Structure parameters

• Chemical name: Hydrido(diiodo)(nitrosyl-κN)[bis(tricyclohexylphosphane)]rhenium(II)
• Formula: C36 H67 I2 N O P2 Re
• Calculated formula: C36 H67 I2 N O P2 Re
• Title of publication: The "Catalytic Nitrosyl Effect": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations
• Authors of publication: Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 4088 - 4102
• a: 12.0721 ± 0.0002 Å
• b: 12.895 ± 0.0003 Å
• c: 15.2598 ± 0.0003 Å
• α: 113.372 ± 0.002°
• β: 92.182 ± 0.002°
• γ: 111.252 ± 0.002°
• Cell volume: 1985.84 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No