Information card for entry 4079292

Structure parameters

• Formula: C34 H22 F20 N10 Re2
• Calculated formula: C34 H22 F20 N10 Re2
• SMILES: [Re]12([Re]34([N]#N)N(c5c(c(c(c(c5F)F)F)F)F)CC[N]3(C)CCN4c3c(c(c(c(c3F)F)F)F)F)([N]#N)N(c3c(c(c(c(c3F)F)F)F)F)CC[N]1(C)CCN2c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Role of Low-Valent Rhenium Species in Catalytic Hydrosilylation Reactions with Oxorhenium Catalysts
• Authors of publication: Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 5994
• a: 13.932 ± 0.004 Å
• b: 18.058 ± 0.006 Å
• c: 16.132 ± 0.005 Å
• α: 90°
• β: 107.75 ± 0.018°
• γ: 90°
• Cell volume: 3865 ± 2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No