Information card for entry 7042385

Structure parameters

• Formula: C55 H31 B Cl2 F34 N5 O Re
• Calculated formula: C55 H31 B Cl2 F34 N5 O Re
• SMILES: [Re]12(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)([N]#CC)[N]#CC.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C(Cl)Cl
• 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: 9.777 ± 0.002 Å
• b: 16.855 ± 0.004 Å
• c: 36.649 ± 0.008 Å
• α: 90°
• β: 94.471 ± 0.009°
• γ: 90°
• Cell volume: 6021 ± 2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No