Information card for entry 7042384

Structure parameters

• Formula: C18 H11 Cl2 F10 N3 O Re
• Calculated formula: C18 H11 Cl2 F10 N3 O Re
• SMILES: [Re]12(Cl)(Cl)(C#[O])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: Cationic rhenium(iii) complexes: synthesis, characterization, and reactivity for hydrosilylation of aldehydes.
• Authors of publication: Pérez, Damaris E; Smeltz, Jessica L.; Sommer, Roger D.; Boyle, Paul D.; Ison, Elon A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4609 - 4616
• a: 12.2754 ± 0.0004 Å
• b: 18.8021 ± 0.0006 Å
• c: 18.9382 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4371 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No