Information card for entry 7117018

Structure parameters

• Formula: C27 H36 Br2 F6 In N2 Sb
• Calculated formula: C27 H36 Br2 F6 In N2 Sb
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[In]([F][Sb](F)(F)(F)(F)F)(Br)Br
• Title of publication: Dibromoindium(III) cations as a pi-Lewis acid: characterization of [IPr^.^InBr2][SbF6] and its catalytic activity towards alkynes and alkenes
• Authors of publication: Bastien Michelet; Jean-Remy Colard-Itte; Guillaume Thiery; Regis Guillot; Christophe Bour; Vincent Gandon
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7401
• a: 9.5651 ± 0.0006 Å
• b: 10.502 ± 0.0006 Å
• c: 18.1036 ± 0.001 Å
• α: 94.315 ± 0.002°
• β: 95.583 ± 0.002°
• γ: 115.957 ± 0.002°
• Cell volume: 1613.18 ± 0.17 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No