Information card for entry 4130137

Structure parameters

• Common name: FLP2
• Formula: C31 H29 F5 N3 O Re
• Calculated formula: C31 H29 F5 N3 O Re
• SMILES: [Re]12(=O)(N(Cc3[n]1c(ccc3)CN2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.
• Authors of publication: Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4832 - 4842
• a: 24.5115 ± 0.0007 Å
• b: 24.6966 ± 0.0009 Å
• c: 18.6378 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11282.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No