Information card for entry 4087269

Structure parameters

• Formula: C24 H44 F6 N2 O8 P Re S2 Si
• Calculated formula: C24 H44 F6 N2 O8 P Re S2 Si
• SMILES: [Re]12([P](Cc3[n]1c(ccc3)C[N]2(CC)CC)(C(C)(C)C)C(C)(C)C)(=O)(O[Si](C)(C)C)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Carbon Dioxide Reduction to Silyl-Protected Methanol Catalyzed by an Oxorhenium Pincer PNN Complex
• Authors of publication: Mazzotta, Michael G.; Xiong, Manxi; Abu-Omar, Mahdi M.
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 12.2352 ± 0.0004 Å
• b: 13.1124 ± 0.0003 Å
• c: 22.2118 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3563.5 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No